USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 848 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 28 THR OG1 : rot 88:sc= 1.19 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0.279 USER MOD Set 1.3: A 100 ASN : amide:sc= 0.372 K(o=1.8,f=1.1) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= 0.414 K(o=0.41,f=-9.8!) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -155:sc= 0.611 (180deg=-0.649!) USER MOD Set 3.2: A 36 THR OG1 : rot -78:sc= -1.16! USER MOD Single : A 1 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.3) USER MOD Single : A 1 GLN N :NH3+ -128:sc= 0.482 (180deg=-0.0123) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -78:sc= 1.16 USER MOD Single : A 15 SER OG : rot -77:sc= 1.02 USER MOD Single : A 21 ASN : amide:sc= -0.384! C(o=-0.38!,f=-7.5!) USER MOD Single : A 24 ASN : amide:sc= 0.00949 K(o=0.0095,f=-0.94) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 86:sc= 1.11 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -160:sc= -0.687 USER MOD Single : A 44 SER OG : rot 180:sc= -0.411 USER MOD Single : A 46 SER OG : rot 139:sc= -0.373 USER MOD Single : A 50 ASN : amide:sc= -0.0448 K(o=-0.045,f=-0.96) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.24) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.481 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.0443 (180deg=-0.434) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -159:sc= -0.356 USER MOD Single : A 76 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.2) USER MOD Single : A 79 SER OG : rot 180:sc= -0.727 USER MOD Single : A 81 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -148:sc= 0.12 USER MOD Single : A 88 SER OG : rot 43:sc= 1.26 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 95 CYS SG : rot -24:sc= 0.194 USER MOD Single : A 96 HIS : no HD1:sc= 0.0249 K(o=0.025,f=-4.4!) USER MOD Single : A 102 CYS SG : rot -43:sc= -0.0398 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -140:sc= -0.247 USER MOD Single : A 106 LYS NZ :NH3+ 171:sc= -0.016 (180deg=-0.161) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 8.666 -6.735 -8.978 1.00 0.00 N ATOM 2 CA GLN A 1 8.102 -5.463 -9.481 1.00 0.00 C ATOM 3 C GLN A 1 7.075 -5.712 -10.575 1.00 0.00 C ATOM 4 O GLN A 1 7.325 -6.459 -11.522 1.00 0.00 O ATOM 5 CB GLN A 1 9.209 -4.555 -10.026 1.00 0.00 C ATOM 6 CG GLN A 1 10.099 -3.946 -8.953 1.00 0.00 C ATOM 7 CD GLN A 1 9.361 -2.988 -8.038 1.00 0.00 C ATOM 8 OE1 GLN A 1 9.697 -2.858 -6.865 1.00 0.00 O ATOM 9 NE2 GLN A 1 8.361 -2.296 -8.570 1.00 0.00 N ATOM 0 H1 GLN A 1 8.588 -6.764 -7.941 1.00 0.00 H new ATOM 0 H2 GLN A 1 8.140 -7.534 -9.387 1.00 0.00 H new ATOM 0 H3 GLN A 1 9.667 -6.803 -9.252 1.00 0.00 H new ATOM 0 HA GLN A 1 7.612 -4.971 -8.641 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.829 -5.130 -10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 1 8.753 -3.751 -10.604 1.00 0.00 H new ATOM 0 HG2 GLN A 1 10.535 -4.746 -8.355 1.00 0.00 H new ATOM 0 HG3 GLN A 1 10.925 -3.419 -9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.111 -2.432 -9.550 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.842 -1.628 -7.999 1.00 0.00 H new ATOM 20 N ALA A 2 5.924 -5.082 -10.433 1.00 0.00 N ATOM 21 CA ALA A 2 4.896 -5.078 -11.463 1.00 0.00 C ATOM 22 C ALA A 2 4.226 -3.715 -11.475 1.00 0.00 C ATOM 23 O ALA A 2 3.281 -3.474 -10.724 1.00 0.00 O ATOM 24 CB ALA A 2 3.879 -6.185 -11.227 1.00 0.00 C ATOM 0 H ALA A 2 5.672 -4.555 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 2 5.354 -5.268 -12.434 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.123 -6.158 -12.012 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.383 -7.151 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.401 -6.040 -10.258 1.00 0.00 H new ATOM 30 N GLU A 3 4.747 -2.825 -12.320 1.00 0.00 N ATOM 31 CA GLU A 3 4.391 -1.408 -12.302 1.00 0.00 C ATOM 32 C GLU A 3 4.982 -0.762 -11.052 1.00 0.00 C ATOM 33 O GLU A 3 5.738 -1.413 -10.331 1.00 0.00 O ATOM 34 CB GLU A 3 2.873 -1.206 -12.380 1.00 0.00 C ATOM 35 CG GLU A 3 2.287 -1.591 -13.730 1.00 0.00 C ATOM 36 CD GLU A 3 0.780 -1.464 -13.784 1.00 0.00 C ATOM 37 OE1 GLU A 3 0.251 -0.396 -13.402 1.00 0.00 O ATOM 38 OE2 GLU A 3 0.116 -2.419 -14.235 1.00 0.00 O ATOM 0 H GLU A 3 5.430 -3.068 -13.038 1.00 0.00 H new ATOM 0 HA GLU A 3 4.810 -0.924 -13.184 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.393 -1.798 -11.601 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.641 -0.161 -12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.726 -0.960 -14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.567 -2.619 -13.961 1.00 0.00 H new ATOM 45 N GLU A 4 4.681 0.500 -10.800 1.00 0.00 N ATOM 46 CA GLU A 4 5.281 1.188 -9.662 1.00 0.00 C ATOM 47 C GLU A 4 4.695 0.702 -8.341 1.00 0.00 C ATOM 48 O GLU A 4 5.424 0.457 -7.382 1.00 0.00 O ATOM 49 CB GLU A 4 5.107 2.702 -9.775 1.00 0.00 C ATOM 50 CG GLU A 4 5.872 3.319 -10.929 1.00 0.00 C ATOM 51 CD GLU A 4 5.907 4.830 -10.848 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.936 5.477 -11.294 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.907 5.379 -10.335 1.00 0.00 O ATOM 0 H GLU A 4 4.037 1.064 -11.355 1.00 0.00 H new ATOM 0 HA GLU A 4 6.345 0.953 -9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.047 2.929 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.433 3.167 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.891 2.933 -10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.412 3.018 -11.870 1.00 0.00 H new ATOM 60 N TRP A 5 3.376 0.551 -8.307 1.00 0.00 N ATOM 61 CA TRP A 5 2.669 0.241 -7.068 1.00 0.00 C ATOM 62 C TRP A 5 3.018 -1.147 -6.525 1.00 0.00 C ATOM 63 O TRP A 5 3.235 -1.307 -5.321 1.00 0.00 O ATOM 64 CB TRP A 5 1.151 0.389 -7.267 1.00 0.00 C ATOM 65 CG TRP A 5 0.630 -0.252 -8.522 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.637 0.281 -9.780 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.011 -1.539 -8.637 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.078 -0.601 -10.670 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.315 -1.725 -9.995 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.295 -2.554 -7.727 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.929 -2.881 -10.463 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.904 -3.704 -8.194 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.215 -3.860 -9.552 1.00 0.00 C ATOM 0 H TRP A 5 2.773 0.638 -9.125 1.00 0.00 H new ATOM 0 HA TRP A 5 2.999 0.960 -6.318 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.639 -0.048 -6.410 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.899 1.449 -7.282 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.026 1.255 -10.037 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.028 -0.444 -11.672 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.060 -2.442 -6.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.171 -3.002 -11.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.144 -4.496 -7.500 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.690 -4.771 -9.885 1.00 0.00 H new ATOM 84 N TYR A 6 3.081 -2.138 -7.405 1.00 0.00 N ATOM 85 CA TYR A 6 3.364 -3.508 -6.995 1.00 0.00 C ATOM 86 C TYR A 6 4.868 -3.739 -6.907 1.00 0.00 C ATOM 87 O TYR A 6 5.529 -4.008 -7.912 1.00 0.00 O ATOM 88 CB TYR A 6 2.728 -4.492 -7.983 1.00 0.00 C ATOM 89 CG TYR A 6 2.669 -5.926 -7.502 1.00 0.00 C ATOM 90 CD1 TYR A 6 1.596 -6.375 -6.743 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.669 -6.835 -7.825 1.00 0.00 C ATOM 92 CE1 TYR A 6 1.518 -7.687 -6.321 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.602 -8.149 -7.402 1.00 0.00 C ATOM 94 CZ TYR A 6 2.523 -8.570 -6.651 1.00 0.00 C ATOM 95 OH TYR A 6 2.441 -9.882 -6.242 1.00 0.00 O ATOM 0 H TYR A 6 2.940 -2.019 -8.408 1.00 0.00 H new ATOM 0 HA TYR A 6 2.934 -3.674 -6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.715 -4.157 -8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.288 -4.460 -8.917 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.808 -5.685 -6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.512 -6.509 -8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.674 -8.020 -5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.389 -8.843 -7.658 1.00 0.00 H new ATOM 0 HH TYR A 6 3.228 -10.373 -6.557 1.00 0.00 H new ATOM 105 N PHE A 7 5.397 -3.619 -5.701 1.00 0.00 N ATOM 106 CA PHE A 7 6.821 -3.814 -5.462 1.00 0.00 C ATOM 107 C PHE A 7 7.187 -5.293 -5.469 1.00 0.00 C ATOM 108 O PHE A 7 7.955 -5.753 -6.314 1.00 0.00 O ATOM 109 CB PHE A 7 7.221 -3.185 -4.125 1.00 0.00 C ATOM 110 CG PHE A 7 7.840 -1.828 -4.265 1.00 0.00 C ATOM 111 CD1 PHE A 7 7.110 -0.762 -4.756 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.163 -1.625 -3.909 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.687 0.483 -4.889 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.747 -0.383 -4.039 1.00 0.00 C ATOM 115 CZ PHE A 7 9.008 0.671 -4.529 1.00 0.00 C ATOM 0 H PHE A 7 4.860 -3.386 -4.866 1.00 0.00 H new ATOM 0 HA PHE A 7 7.366 -3.326 -6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.339 -3.109 -3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.924 -3.846 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.077 -0.906 -5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.744 -2.450 -3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.108 1.310 -5.274 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.780 -0.237 -3.758 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.462 1.646 -4.632 1.00 0.00 H new ATOM 125 N GLY A 8 6.621 -6.028 -4.528 1.00 0.00 N ATOM 126 CA GLY A 8 6.933 -7.434 -4.396 1.00 0.00 C ATOM 127 C GLY A 8 7.089 -7.824 -2.946 1.00 0.00 C ATOM 128 O GLY A 8 6.668 -7.087 -2.056 1.00 0.00 O ATOM 0 H GLY A 8 5.947 -5.674 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.142 -8.029 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.853 -7.658 -4.937 1.00 0.00 H new ATOM 132 N LYS A 9 7.696 -8.973 -2.698 1.00 0.00 N ATOM 133 CA LYS A 9 7.875 -9.468 -1.338 1.00 0.00 C ATOM 134 C LYS A 9 9.099 -8.855 -0.675 1.00 0.00 C ATOM 135 O LYS A 9 10.058 -9.549 -0.340 1.00 0.00 O ATOM 136 CB LYS A 9 7.962 -10.998 -1.322 1.00 0.00 C ATOM 137 CG LYS A 9 8.831 -11.580 -2.421 1.00 0.00 C ATOM 138 CD LYS A 9 8.792 -13.094 -2.407 1.00 0.00 C ATOM 139 CE LYS A 9 9.022 -13.660 -3.793 1.00 0.00 C ATOM 140 NZ LYS A 9 8.058 -13.101 -4.777 1.00 0.00 N ATOM 0 H LYS A 9 8.075 -9.584 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 9 7.000 -9.165 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.352 -11.319 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.957 -11.409 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.491 -11.214 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.859 -11.239 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.553 -13.474 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.827 -13.432 -2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.040 -13.438 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.926 -14.745 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.942 -13.768 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.139 -12.948 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.418 -12.195 -5.140 1.00 0.00 H new ATOM 154 N ILE A 10 9.076 -7.545 -0.518 1.00 0.00 N ATOM 155 CA ILE A 10 10.061 -6.868 0.300 1.00 0.00 C ATOM 156 C ILE A 10 9.676 -7.061 1.756 1.00 0.00 C ATOM 157 O ILE A 10 8.514 -6.897 2.121 1.00 0.00 O ATOM 158 CB ILE A 10 10.153 -5.362 -0.034 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.770 -4.700 0.027 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.778 -5.172 -1.405 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.794 -3.212 -0.257 1.00 0.00 C ATOM 0 H ILE A 10 8.385 -6.929 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 10 11.044 -7.295 0.100 1.00 0.00 H new ATOM 0 HB ILE A 10 10.786 -4.880 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.112 -5.188 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.341 -4.865 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.839 -4.108 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.779 -5.603 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.165 -5.669 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.781 -2.814 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.426 -2.712 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.192 -3.039 -1.257 1.00 0.00 H new ATOM 173 N THR A 11 10.631 -7.441 2.577 1.00 0.00 N ATOM 174 CA THR A 11 10.345 -7.791 3.955 1.00 0.00 C ATOM 175 C THR A 11 10.070 -6.550 4.799 1.00 0.00 C ATOM 176 O THR A 11 10.149 -5.422 4.299 1.00 0.00 O ATOM 177 CB THR A 11 11.496 -8.604 4.575 1.00 0.00 C ATOM 178 OG1 THR A 11 12.726 -7.876 4.469 1.00 0.00 O ATOM 179 CG2 THR A 11 11.633 -9.958 3.892 1.00 0.00 C ATOM 0 H THR A 11 11.614 -7.516 2.316 1.00 0.00 H new ATOM 0 HA THR A 11 9.447 -8.409 3.948 1.00 0.00 H new ATOM 0 HB THR A 11 11.268 -8.771 5.628 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.072 -7.950 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.453 -10.514 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.706 -10.519 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.839 -9.811 2.832 1.00 0.00 H new ATOM 187 N ARG A 12 9.746 -6.756 6.071 1.00 0.00 N ATOM 188 CA ARG A 12 9.399 -5.660 6.970 1.00 0.00 C ATOM 189 C ARG A 12 10.538 -4.653 7.078 1.00 0.00 C ATOM 190 O ARG A 12 10.331 -3.453 6.907 1.00 0.00 O ATOM 191 CB ARG A 12 9.044 -6.203 8.354 1.00 0.00 C ATOM 192 CG ARG A 12 7.699 -6.907 8.408 1.00 0.00 C ATOM 193 CD ARG A 12 6.554 -5.936 8.156 1.00 0.00 C ATOM 194 NE ARG A 12 6.534 -4.847 9.132 1.00 0.00 N ATOM 195 CZ ARG A 12 5.437 -4.409 9.750 1.00 0.00 C ATOM 196 NH1 ARG A 12 4.246 -4.935 9.477 1.00 0.00 N ATOM 197 NH2 ARG A 12 5.532 -3.425 10.635 1.00 0.00 N ATOM 0 H ARG A 12 9.716 -7.678 6.505 1.00 0.00 H new ATOM 0 HA ARG A 12 8.532 -5.147 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.821 -6.898 8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.042 -5.379 9.068 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.673 -7.703 7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.572 -7.377 9.383 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.645 -5.521 7.152 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.607 -6.474 8.194 1.00 0.00 H new ATOM 0 HE ARG A 12 7.419 -4.392 9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.164 -5.682 8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.414 -4.591 9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.440 -3.008 10.839 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.697 -3.085 11.111 1.00 0.00 H new ATOM 211 N ARG A 13 11.742 -5.155 7.334 1.00 0.00 N ATOM 212 CA ARG A 13 12.919 -4.305 7.492 1.00 0.00 C ATOM 213 C ARG A 13 13.126 -3.414 6.277 1.00 0.00 C ATOM 214 O ARG A 13 13.553 -2.269 6.400 1.00 0.00 O ATOM 215 CB ARG A 13 14.167 -5.159 7.700 1.00 0.00 C ATOM 216 CG ARG A 13 14.169 -5.955 8.993 1.00 0.00 C ATOM 217 CD ARG A 13 15.408 -6.824 9.089 1.00 0.00 C ATOM 218 NE ARG A 13 15.427 -7.631 10.306 1.00 0.00 N ATOM 219 CZ ARG A 13 16.110 -8.767 10.433 1.00 0.00 C ATOM 220 NH1 ARG A 13 16.772 -9.270 9.395 1.00 0.00 N ATOM 221 NH2 ARG A 13 16.104 -9.409 11.591 1.00 0.00 N ATOM 0 H ARG A 13 11.930 -6.152 7.437 1.00 0.00 H new ATOM 0 HA ARG A 13 12.752 -3.675 8.366 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.265 -5.849 6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.043 -4.511 7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.130 -5.275 9.844 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.277 -6.579 9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.457 -7.480 8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.295 -6.192 9.061 1.00 0.00 H new ATOM 0 HE ARG A 13 14.885 -7.305 11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.758 -8.785 8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.294 -10.140 9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.578 -9.033 12.380 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.625 -10.280 11.694 1.00 0.00 H new ATOM 235 N GLU A 14 12.820 -3.951 5.108 1.00 0.00 N ATOM 236 CA GLU A 14 13.015 -3.235 3.861 1.00 0.00 C ATOM 237 C GLU A 14 11.900 -2.220 3.637 1.00 0.00 C ATOM 238 O GLU A 14 12.160 -1.034 3.439 1.00 0.00 O ATOM 239 CB GLU A 14 13.073 -4.233 2.704 1.00 0.00 C ATOM 240 CG GLU A 14 14.118 -5.319 2.914 1.00 0.00 C ATOM 241 CD GLU A 14 14.074 -6.399 1.856 1.00 0.00 C ATOM 242 OE1 GLU A 14 13.168 -7.256 1.913 1.00 0.00 O ATOM 243 OE2 GLU A 14 14.961 -6.417 0.982 1.00 0.00 O ATOM 0 H GLU A 14 12.433 -4.888 4.998 1.00 0.00 H new ATOM 0 HA GLU A 14 13.957 -2.689 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.094 -4.696 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.292 -3.698 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.109 -4.865 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.970 -5.773 3.894 1.00 0.00 H new ATOM 250 N SER A 15 10.660 -2.689 3.703 1.00 0.00 N ATOM 251 CA SER A 15 9.501 -1.845 3.427 1.00 0.00 C ATOM 252 C SER A 15 9.393 -0.683 4.415 1.00 0.00 C ATOM 253 O SER A 15 9.187 0.465 4.015 1.00 0.00 O ATOM 254 CB SER A 15 8.221 -2.688 3.454 1.00 0.00 C ATOM 255 OG SER A 15 8.186 -3.533 4.593 1.00 0.00 O ATOM 0 H SER A 15 10.429 -3.652 3.946 1.00 0.00 H new ATOM 0 HA SER A 15 9.631 -1.416 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.351 -2.032 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.161 -3.292 2.548 1.00 0.00 H new ATOM 0 HG SER A 15 8.777 -4.301 4.449 1.00 0.00 H new ATOM 261 N GLU A 16 9.542 -0.981 5.701 1.00 0.00 N ATOM 262 CA GLU A 16 9.444 0.038 6.733 1.00 0.00 C ATOM 263 C GLU A 16 10.551 1.074 6.587 1.00 0.00 C ATOM 264 O GLU A 16 10.285 2.274 6.575 1.00 0.00 O ATOM 265 CB GLU A 16 9.499 -0.598 8.122 1.00 0.00 C ATOM 266 CG GLU A 16 8.294 -1.472 8.436 1.00 0.00 C ATOM 267 CD GLU A 16 8.382 -2.118 9.803 1.00 0.00 C ATOM 268 OE1 GLU A 16 8.142 -1.421 10.811 1.00 0.00 O ATOM 269 OE2 GLU A 16 8.677 -3.331 9.881 1.00 0.00 O ATOM 0 H GLU A 16 9.731 -1.920 6.051 1.00 0.00 H new ATOM 0 HA GLU A 16 8.485 0.543 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.405 -1.199 8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.572 0.190 8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.388 -0.868 8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.206 -2.249 7.676 1.00 0.00 H new ATOM 276 N ARG A 17 11.785 0.606 6.432 1.00 0.00 N ATOM 277 CA ARG A 17 12.944 1.495 6.363 1.00 0.00 C ATOM 278 C ARG A 17 12.821 2.485 5.200 1.00 0.00 C ATOM 279 O ARG A 17 13.362 3.592 5.256 1.00 0.00 O ATOM 280 CB ARG A 17 14.227 0.672 6.227 1.00 0.00 C ATOM 281 CG ARG A 17 15.508 1.488 6.322 1.00 0.00 C ATOM 282 CD ARG A 17 15.582 2.280 7.620 1.00 0.00 C ATOM 283 NE ARG A 17 15.411 1.433 8.802 1.00 0.00 N ATOM 284 CZ ARG A 17 16.381 1.164 9.676 1.00 0.00 C ATOM 285 NH1 ARG A 17 17.617 1.599 9.466 1.00 0.00 N ATOM 286 NH2 ARG A 17 16.115 0.445 10.755 1.00 0.00 N ATOM 0 H ARG A 17 12.011 -0.385 6.351 1.00 0.00 H new ATOM 0 HA ARG A 17 12.984 2.072 7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.239 -0.092 7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.211 0.152 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.368 0.822 6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.566 2.172 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.544 2.789 7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.813 3.052 7.615 1.00 0.00 H new ATOM 0 HE ARG A 17 14.492 1.023 8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.831 2.144 8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.353 1.389 10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.169 0.098 10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.856 0.238 11.425 1.00 0.00 H new ATOM 300 N LEU A 18 12.100 2.090 4.157 1.00 0.00 N ATOM 301 CA LEU A 18 11.882 2.964 3.011 1.00 0.00 C ATOM 302 C LEU A 18 10.925 4.095 3.368 1.00 0.00 C ATOM 303 O LEU A 18 11.132 5.243 2.975 1.00 0.00 O ATOM 304 CB LEU A 18 11.329 2.174 1.820 1.00 0.00 C ATOM 305 CG LEU A 18 12.240 1.061 1.300 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.613 0.375 0.095 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.617 1.608 0.949 1.00 0.00 C ATOM 0 H LEU A 18 11.658 1.174 4.081 1.00 0.00 H new ATOM 0 HA LEU A 18 12.845 3.392 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.373 1.735 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.129 2.869 1.005 1.00 0.00 H new ATOM 0 HG LEU A 18 12.360 0.322 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.276 -0.414 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.654 -0.058 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.459 1.105 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.247 0.798 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.519 2.371 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.071 2.047 1.837 1.00 0.00 H new ATOM 319 N LEU A 19 9.892 3.775 4.137 1.00 0.00 N ATOM 320 CA LEU A 19 8.861 4.753 4.463 1.00 0.00 C ATOM 321 C LEU A 19 9.228 5.564 5.707 1.00 0.00 C ATOM 322 O LEU A 19 8.665 6.630 5.938 1.00 0.00 O ATOM 323 CB LEU A 19 7.507 4.068 4.655 1.00 0.00 C ATOM 324 CG LEU A 19 7.026 3.221 3.470 1.00 0.00 C ATOM 325 CD1 LEU A 19 5.620 2.716 3.726 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.076 4.015 2.172 1.00 0.00 C ATOM 0 H LEU A 19 9.746 2.852 4.545 1.00 0.00 H new ATOM 0 HA LEU A 19 8.788 5.444 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.563 3.430 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.758 4.832 4.862 1.00 0.00 H new ATOM 0 HG LEU A 19 7.696 2.367 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.289 2.116 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.612 2.105 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.947 3.564 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.730 3.390 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.434 4.892 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.101 4.333 1.979 1.00 0.00 H new ATOM 338 N LEU A 20 10.170 5.061 6.507 1.00 0.00 N ATOM 339 CA LEU A 20 10.676 5.817 7.656 1.00 0.00 C ATOM 340 C LEU A 20 11.665 6.894 7.214 1.00 0.00 C ATOM 341 O LEU A 20 12.326 7.526 8.043 1.00 0.00 O ATOM 342 CB LEU A 20 11.347 4.900 8.686 1.00 0.00 C ATOM 343 CG LEU A 20 10.437 4.363 9.796 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.629 5.488 10.423 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.520 3.274 9.280 1.00 0.00 C ATOM 0 H LEU A 20 10.595 4.142 6.383 1.00 0.00 H new ATOM 0 HA LEU A 20 9.814 6.293 8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.784 4.052 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.169 5.446 9.149 1.00 0.00 H new ATOM 0 HG LEU A 20 11.076 3.926 10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.990 5.083 11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.306 6.227 10.851 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.011 5.961 9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.888 2.915 10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.894 3.673 8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.117 2.448 8.893 1.00 0.00 H new ATOM 357 N ASN A 21 11.776 7.082 5.910 1.00 0.00 N ATOM 358 CA ASN A 21 12.591 8.148 5.353 1.00 0.00 C ATOM 359 C ASN A 21 11.735 9.399 5.160 1.00 0.00 C ATOM 360 O ASN A 21 10.824 9.414 4.330 1.00 0.00 O ATOM 361 CB ASN A 21 13.216 7.704 4.029 1.00 0.00 C ATOM 362 CG ASN A 21 13.922 8.836 3.305 1.00 0.00 C ATOM 363 OD1 ASN A 21 13.319 9.527 2.493 1.00 0.00 O ATOM 364 ND2 ASN A 21 15.197 9.038 3.601 1.00 0.00 N ATOM 0 H ASN A 21 11.307 6.505 5.212 1.00 0.00 H new ATOM 0 HA ASN A 21 13.401 8.381 6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.927 6.900 4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.438 7.295 3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.713 9.792 3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.663 8.440 4.283 1.00 0.00 H new ATOM 371 N PRO A 22 12.018 10.466 5.929 1.00 0.00 N ATOM 372 CA PRO A 22 11.197 11.688 5.941 1.00 0.00 C ATOM 373 C PRO A 22 11.364 12.545 4.691 1.00 0.00 C ATOM 374 O PRO A 22 10.883 13.678 4.633 1.00 0.00 O ATOM 375 CB PRO A 22 11.706 12.438 7.173 1.00 0.00 C ATOM 376 CG PRO A 22 13.115 11.986 7.340 1.00 0.00 C ATOM 377 CD PRO A 22 13.160 10.560 6.858 1.00 0.00 C ATOM 0 HA PRO A 22 10.133 11.451 5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.651 13.517 7.029 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.108 12.203 8.054 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.796 12.613 6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.424 12.054 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.102 10.337 6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.063 9.855 7.684 1.00 0.00 H new ATOM 385 N GLU A 23 12.047 12.011 3.693 1.00 0.00 N ATOM 386 CA GLU A 23 12.208 12.703 2.426 1.00 0.00 C ATOM 387 C GLU A 23 11.104 12.265 1.473 1.00 0.00 C ATOM 388 O GLU A 23 10.913 12.845 0.401 1.00 0.00 O ATOM 389 CB GLU A 23 13.586 12.408 1.840 1.00 0.00 C ATOM 390 CG GLU A 23 14.716 12.650 2.827 1.00 0.00 C ATOM 391 CD GLU A 23 16.076 12.329 2.254 1.00 0.00 C ATOM 392 OE1 GLU A 23 16.646 13.195 1.558 1.00 0.00 O ATOM 393 OE2 GLU A 23 16.589 11.219 2.510 1.00 0.00 O ATOM 0 H GLU A 23 12.500 11.098 3.736 1.00 0.00 H new ATOM 0 HA GLU A 23 12.133 13.779 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.618 11.371 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.741 13.031 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.698 13.693 3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.550 12.043 3.717 1.00 0.00 H new ATOM 400 N ASN A 24 10.383 11.230 1.882 1.00 0.00 N ATOM 401 CA ASN A 24 9.210 10.765 1.159 1.00 0.00 C ATOM 402 C ASN A 24 7.966 11.443 1.713 1.00 0.00 C ATOM 403 O ASN A 24 7.788 11.529 2.929 1.00 0.00 O ATOM 404 CB ASN A 24 9.077 9.245 1.270 1.00 0.00 C ATOM 405 CG ASN A 24 10.137 8.513 0.471 1.00 0.00 C ATOM 406 OD1 ASN A 24 10.574 8.978 -0.582 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.564 7.367 0.970 1.00 0.00 N ATOM 0 H ASN A 24 10.595 10.691 2.722 1.00 0.00 H new ATOM 0 HA ASN A 24 9.321 11.022 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.148 8.952 2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.090 8.943 0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.282 6.833 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.176 7.016 1.846 1.00 0.00 H new ATOM 414 N PRO A 25 7.096 11.944 0.823 1.00 0.00 N ATOM 415 CA PRO A 25 5.884 12.676 1.209 1.00 0.00 C ATOM 416 C PRO A 25 4.875 11.806 1.953 1.00 0.00 C ATOM 417 O PRO A 25 4.917 10.575 1.883 1.00 0.00 O ATOM 418 CB PRO A 25 5.286 13.123 -0.131 1.00 0.00 C ATOM 419 CG PRO A 25 6.379 12.969 -1.129 1.00 0.00 C ATOM 420 CD PRO A 25 7.234 11.843 -0.636 1.00 0.00 C ATOM 0 HA PRO A 25 6.121 13.493 1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.423 12.513 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.943 14.156 -0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.976 12.749 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.958 13.888 -1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.888 10.879 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.271 11.954 -0.953 1.00 0.00 H new ATOM 428 N ARG A 26 3.965 12.458 2.663 1.00 0.00 N ATOM 429 CA ARG A 26 2.889 11.766 3.352 1.00 0.00 C ATOM 430 C ARG A 26 1.875 11.250 2.337 1.00 0.00 C ATOM 431 O ARG A 26 1.288 12.027 1.586 1.00 0.00 O ATOM 432 CB ARG A 26 2.216 12.713 4.349 1.00 0.00 C ATOM 433 CG ARG A 26 0.995 12.125 5.042 1.00 0.00 C ATOM 434 CD ARG A 26 0.326 13.152 5.942 1.00 0.00 C ATOM 435 NE ARG A 26 -0.035 14.364 5.207 1.00 0.00 N ATOM 436 CZ ARG A 26 -0.344 15.527 5.783 1.00 0.00 C ATOM 437 NH1 ARG A 26 -0.405 15.626 7.108 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.594 16.593 5.034 1.00 0.00 N ATOM 0 H ARG A 26 3.952 13.472 2.776 1.00 0.00 H new ATOM 0 HA ARG A 26 3.298 10.917 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.945 13.003 5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.920 13.622 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.283 11.774 4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.291 11.258 5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.569 12.717 6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.997 13.410 6.761 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.052 14.317 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.215 14.810 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.642 16.518 7.542 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.550 16.524 4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.830 17.482 5.475 1.00 0.00 H new ATOM 452 N GLY A 27 1.677 9.944 2.316 1.00 0.00 N ATOM 453 CA GLY A 27 0.788 9.350 1.338 1.00 0.00 C ATOM 454 C GLY A 27 1.541 8.512 0.329 1.00 0.00 C ATOM 455 O GLY A 27 0.965 8.035 -0.649 1.00 0.00 O ATOM 0 H GLY A 27 2.115 9.283 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.050 8.730 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.240 10.137 0.820 1.00 0.00 H new ATOM 459 N THR A 28 2.835 8.351 0.568 1.00 0.00 N ATOM 460 CA THR A 28 3.675 7.506 -0.264 1.00 0.00 C ATOM 461 C THR A 28 3.358 6.040 0.010 1.00 0.00 C ATOM 462 O THR A 28 3.537 5.557 1.130 1.00 0.00 O ATOM 463 CB THR A 28 5.168 7.783 0.013 1.00 0.00 C ATOM 464 OG1 THR A 28 5.459 9.162 -0.250 1.00 0.00 O ATOM 465 CG2 THR A 28 6.062 6.899 -0.838 1.00 0.00 C ATOM 0 H THR A 28 3.328 8.800 1.340 1.00 0.00 H new ATOM 0 HA THR A 28 3.471 7.731 -1.311 1.00 0.00 H new ATOM 0 HB THR A 28 5.367 7.556 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.287 9.692 0.556 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.107 7.119 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.857 5.852 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.865 7.090 -1.893 1.00 0.00 H new ATOM 473 N PHE A 29 2.875 5.339 -1.004 1.00 0.00 N ATOM 474 CA PHE A 29 2.391 3.982 -0.812 1.00 0.00 C ATOM 475 C PHE A 29 3.143 2.982 -1.680 1.00 0.00 C ATOM 476 O PHE A 29 3.795 3.354 -2.656 1.00 0.00 O ATOM 477 CB PHE A 29 0.894 3.904 -1.125 1.00 0.00 C ATOM 478 CG PHE A 29 0.565 4.082 -2.581 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.564 5.341 -3.157 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.255 2.987 -3.372 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.260 5.504 -4.494 1.00 0.00 C ATOM 482 CE2 PHE A 29 -0.050 3.144 -4.708 1.00 0.00 C ATOM 483 CZ PHE A 29 -0.048 4.405 -5.271 1.00 0.00 C ATOM 0 H PHE A 29 2.808 5.684 -1.961 1.00 0.00 H new ATOM 0 HA PHE A 29 2.565 3.722 0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.513 2.938 -0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.372 4.668 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.803 6.205 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.252 1.999 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.263 6.491 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.290 2.282 -5.313 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.287 4.531 -6.317 1.00 0.00 H new ATOM 493 N LEU A 30 3.040 1.716 -1.298 1.00 0.00 N ATOM 494 CA LEU A 30 3.588 0.613 -2.070 1.00 0.00 C ATOM 495 C LEU A 30 3.009 -0.699 -1.548 1.00 0.00 C ATOM 496 O LEU A 30 2.911 -0.900 -0.333 1.00 0.00 O ATOM 497 CB LEU A 30 5.131 0.598 -2.015 1.00 0.00 C ATOM 498 CG LEU A 30 5.787 0.131 -0.700 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.301 0.161 -0.833 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.365 0.996 0.477 1.00 0.00 C ATOM 0 H LEU A 30 2.571 1.426 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 30 3.308 0.740 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.491 -0.045 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.486 1.606 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 30 5.452 -0.889 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.755 -0.170 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.608 -0.502 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.627 1.177 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.848 0.635 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.661 2.029 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.283 0.945 0.597 1.00 0.00 H new ATOM 512 N VAL A 31 2.591 -1.575 -2.446 1.00 0.00 N ATOM 513 CA VAL A 31 2.000 -2.837 -2.031 1.00 0.00 C ATOM 514 C VAL A 31 3.025 -3.965 -2.111 1.00 0.00 C ATOM 515 O VAL A 31 3.660 -4.189 -3.144 1.00 0.00 O ATOM 516 CB VAL A 31 0.718 -3.186 -2.832 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.940 -3.073 -4.323 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.217 -4.576 -2.476 1.00 0.00 C ATOM 0 H VAL A 31 2.648 -1.439 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 31 1.694 -2.720 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.044 -2.458 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.019 -3.325 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.231 -2.052 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.730 -3.760 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.682 -4.797 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.987 -5.311 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.013 -4.618 -1.411 1.00 0.00 H new ATOM 528 N ARG A 32 3.193 -4.649 -0.995 1.00 0.00 N ATOM 529 CA ARG A 32 4.186 -5.700 -0.874 1.00 0.00 C ATOM 530 C ARG A 32 3.522 -7.061 -0.726 1.00 0.00 C ATOM 531 O ARG A 32 2.429 -7.174 -0.162 1.00 0.00 O ATOM 532 CB ARG A 32 5.081 -5.436 0.342 1.00 0.00 C ATOM 533 CG ARG A 32 4.312 -5.361 1.651 1.00 0.00 C ATOM 534 CD ARG A 32 5.234 -5.342 2.861 1.00 0.00 C ATOM 535 NE ARG A 32 6.052 -6.550 2.943 1.00 0.00 N ATOM 536 CZ ARG A 32 5.773 -7.607 3.709 1.00 0.00 C ATOM 537 NH1 ARG A 32 4.695 -7.608 4.488 1.00 0.00 N ATOM 538 NH2 ARG A 32 6.587 -8.657 3.698 1.00 0.00 N ATOM 0 H ARG A 32 2.646 -4.492 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 32 4.790 -5.702 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.828 -6.226 0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.620 -4.501 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.692 -4.464 1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.638 -6.215 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.883 -4.467 2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.639 -5.244 3.769 1.00 0.00 H new ATOM 0 HE ARG A 32 6.897 -6.588 2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.076 -6.798 4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.488 -8.419 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.418 -8.652 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.381 -9.468 4.281 1.00 0.00 H new ATOM 552 N GLU A 33 4.184 -8.089 -1.242 1.00 0.00 N ATOM 553 CA GLU A 33 3.773 -9.463 -1.002 1.00 0.00 C ATOM 554 C GLU A 33 3.987 -9.782 0.466 1.00 0.00 C ATOM 555 O GLU A 33 5.114 -9.686 0.959 1.00 0.00 O ATOM 556 CB GLU A 33 4.599 -10.451 -1.835 1.00 0.00 C ATOM 557 CG GLU A 33 4.483 -10.288 -3.340 1.00 0.00 C ATOM 558 CD GLU A 33 5.497 -11.149 -4.081 1.00 0.00 C ATOM 559 OE1 GLU A 33 5.521 -12.382 -3.858 1.00 0.00 O ATOM 560 OE2 GLU A 33 6.305 -10.597 -4.857 1.00 0.00 O ATOM 0 H GLU A 33 5.011 -7.994 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 33 2.725 -9.562 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.647 -10.349 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.296 -11.464 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.476 -10.557 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.632 -9.241 -3.605 1.00 0.00 H new ATOM 567 N SER A 34 2.926 -10.136 1.168 1.00 0.00 N ATOM 568 CA SER A 34 3.052 -10.529 2.560 1.00 0.00 C ATOM 569 C SER A 34 3.647 -11.936 2.623 1.00 0.00 C ATOM 570 O SER A 34 2.940 -12.913 2.868 1.00 0.00 O ATOM 571 CB SER A 34 1.685 -10.467 3.257 1.00 0.00 C ATOM 572 OG SER A 34 1.805 -10.598 4.667 1.00 0.00 O ATOM 0 H SER A 34 1.975 -10.160 0.801 1.00 0.00 H new ATOM 0 HA SER A 34 3.716 -9.841 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.199 -9.521 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.044 -11.260 2.872 1.00 0.00 H new ATOM 0 HG SER A 34 0.916 -10.552 5.077 1.00 0.00 H new ATOM 578 N GLU A 35 4.953 -12.019 2.363 1.00 0.00 N ATOM 579 CA GLU A 35 5.664 -13.292 2.259 1.00 0.00 C ATOM 580 C GLU A 35 5.023 -14.173 1.187 1.00 0.00 C ATOM 581 O GLU A 35 5.006 -15.399 1.297 1.00 0.00 O ATOM 582 CB GLU A 35 5.710 -14.024 3.608 1.00 0.00 C ATOM 583 CG GLU A 35 6.562 -13.339 4.671 1.00 0.00 C ATOM 584 CD GLU A 35 5.918 -12.092 5.244 1.00 0.00 C ATOM 585 OE1 GLU A 35 5.039 -12.223 6.118 1.00 0.00 O ATOM 586 OE2 GLU A 35 6.287 -10.975 4.830 1.00 0.00 O ATOM 0 H GLU A 35 5.548 -11.203 2.219 1.00 0.00 H new ATOM 0 HA GLU A 35 6.692 -13.078 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.693 -14.126 3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.093 -15.032 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.757 -14.043 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.527 -13.075 4.239 1.00 0.00 H new ATOM 593 N THR A 36 4.510 -13.521 0.142 1.00 0.00 N ATOM 594 CA THR A 36 3.805 -14.179 -0.943 1.00 0.00 C ATOM 595 C THR A 36 2.646 -15.038 -0.430 1.00 0.00 C ATOM 596 O THR A 36 2.382 -16.131 -0.934 1.00 0.00 O ATOM 597 CB THR A 36 4.765 -15.017 -1.802 1.00 0.00 C ATOM 598 OG1 THR A 36 5.994 -14.300 -1.974 1.00 0.00 O ATOM 599 CG2 THR A 36 4.158 -15.271 -3.163 1.00 0.00 C ATOM 0 H THR A 36 4.577 -12.509 0.030 1.00 0.00 H new ATOM 0 HA THR A 36 3.381 -13.396 -1.571 1.00 0.00 H new ATOM 0 HB THR A 36 4.948 -15.968 -1.302 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.876 -13.608 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.847 -15.866 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.218 -15.811 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.971 -14.320 -3.661 1.00 0.00 H new ATOM 607 N THR A 37 1.961 -14.540 0.586 1.00 0.00 N ATOM 608 CA THR A 37 0.731 -15.156 1.044 1.00 0.00 C ATOM 609 C THR A 37 -0.415 -14.753 0.119 1.00 0.00 C ATOM 610 O THR A 37 -0.890 -13.616 0.165 1.00 0.00 O ATOM 611 CB THR A 37 0.407 -14.740 2.495 1.00 0.00 C ATOM 612 OG1 THR A 37 1.468 -15.163 3.366 1.00 0.00 O ATOM 613 CG2 THR A 37 -0.914 -15.335 2.964 1.00 0.00 C ATOM 0 H THR A 37 2.238 -13.709 1.109 1.00 0.00 H new ATOM 0 HA THR A 37 0.858 -16.238 1.023 1.00 0.00 H new ATOM 0 HB THR A 37 0.315 -13.654 2.524 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.170 -14.480 3.382 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.111 -15.022 3.989 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.720 -14.987 2.317 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.859 -16.423 2.921 1.00 0.00 H new ATOM 621 N LYS A 38 -0.828 -15.669 -0.748 1.00 0.00 N ATOM 622 CA LYS A 38 -1.910 -15.388 -1.682 1.00 0.00 C ATOM 623 C LYS A 38 -3.188 -15.078 -0.923 1.00 0.00 C ATOM 624 O LYS A 38 -3.632 -15.862 -0.087 1.00 0.00 O ATOM 625 CB LYS A 38 -2.134 -16.560 -2.641 1.00 0.00 C ATOM 626 CG LYS A 38 -0.956 -16.824 -3.566 1.00 0.00 C ATOM 627 CD LYS A 38 -1.294 -17.866 -4.618 1.00 0.00 C ATOM 628 CE LYS A 38 -1.565 -19.228 -4.000 1.00 0.00 C ATOM 629 NZ LYS A 38 -1.994 -20.216 -5.023 1.00 0.00 N ATOM 0 H LYS A 38 -0.433 -16.606 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.627 -14.518 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.338 -17.460 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.021 -16.361 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.661 -15.895 -4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.101 -17.162 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.169 -17.542 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.470 -17.947 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.665 -19.587 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.337 -19.135 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.170 -21.134 -4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.866 -19.884 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.246 -20.323 -5.738 1.00 0.00 H new ATOM 643 N GLY A 39 -3.757 -13.917 -1.200 1.00 0.00 N ATOM 644 CA GLY A 39 -4.963 -13.508 -0.518 1.00 0.00 C ATOM 645 C GLY A 39 -4.703 -12.411 0.490 1.00 0.00 C ATOM 646 O GLY A 39 -5.639 -11.882 1.088 1.00 0.00 O ATOM 0 H GLY A 39 -3.404 -13.250 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.693 -13.162 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.402 -14.368 -0.012 1.00 0.00 H new ATOM 650 N ALA A 40 -3.432 -12.075 0.680 1.00 0.00 N ATOM 651 CA ALA A 40 -3.054 -11.008 1.593 1.00 0.00 C ATOM 652 C ALA A 40 -1.867 -10.217 1.057 1.00 0.00 C ATOM 653 O ALA A 40 -0.738 -10.707 1.022 1.00 0.00 O ATOM 654 CB ALA A 40 -2.732 -11.576 2.967 1.00 0.00 C ATOM 0 H ALA A 40 -2.647 -12.528 0.212 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.900 -10.327 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.451 -10.765 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.609 -12.088 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.906 -12.282 2.884 1.00 0.00 H new ATOM 660 N TYR A 41 -2.135 -8.997 0.625 1.00 0.00 N ATOM 661 CA TYR A 41 -1.089 -8.096 0.169 1.00 0.00 C ATOM 662 C TYR A 41 -1.072 -6.865 1.055 1.00 0.00 C ATOM 663 O TYR A 41 -2.122 -6.362 1.435 1.00 0.00 O ATOM 664 CB TYR A 41 -1.313 -7.688 -1.291 1.00 0.00 C ATOM 665 CG TYR A 41 -1.248 -8.840 -2.268 1.00 0.00 C ATOM 666 CD1 TYR A 41 -0.044 -9.220 -2.846 1.00 0.00 C ATOM 667 CD2 TYR A 41 -2.395 -9.546 -2.615 1.00 0.00 C ATOM 668 CE1 TYR A 41 0.017 -10.270 -3.740 1.00 0.00 C ATOM 669 CE2 TYR A 41 -2.340 -10.598 -3.507 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.134 -10.955 -4.067 1.00 0.00 C ATOM 671 OH TYR A 41 -1.078 -12.001 -4.961 1.00 0.00 O ATOM 0 H TYR A 41 -3.075 -8.605 0.580 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.130 -8.610 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.287 -7.206 -1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.564 -6.946 -1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.859 -8.685 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.343 -9.267 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.961 -10.553 -4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.239 -11.139 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.975 -12.377 -5.081 1.00 0.00 H new ATOM 681 N CYS A 42 0.103 -6.380 1.394 1.00 0.00 N ATOM 682 CA CYS A 42 0.201 -5.258 2.308 1.00 0.00 C ATOM 683 C CYS A 42 0.372 -3.950 1.551 1.00 0.00 C ATOM 684 O CYS A 42 1.450 -3.667 1.022 1.00 0.00 O ATOM 685 CB CYS A 42 1.369 -5.457 3.272 1.00 0.00 C ATOM 686 SG CYS A 42 1.368 -7.054 4.118 1.00 0.00 S ATOM 0 H CYS A 42 0.996 -6.739 1.056 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.727 -5.208 2.877 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.303 -5.352 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.349 -4.663 4.019 1.00 0.00 H new ATOM 0 HG CYS A 42 2.107 -6.980 5.185 1.00 0.00 H new ATOM 692 N LEU A 43 -0.695 -3.166 1.481 1.00 0.00 N ATOM 693 CA LEU A 43 -0.612 -1.823 0.937 1.00 0.00 C ATOM 694 C LEU A 43 -0.085 -0.910 2.035 1.00 0.00 C ATOM 695 O LEU A 43 -0.829 -0.477 2.914 1.00 0.00 O ATOM 696 CB LEU A 43 -1.989 -1.351 0.429 1.00 0.00 C ATOM 697 CG LEU A 43 -2.005 -0.108 -0.486 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.588 1.148 0.262 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.115 -0.309 -1.705 1.00 0.00 C ATOM 0 H LEU A 43 -1.626 -3.439 1.795 1.00 0.00 H new ATOM 0 HA LEU A 43 0.062 -1.801 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.453 -2.176 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.618 -1.143 1.295 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.033 0.023 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.612 2.001 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.275 1.324 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.577 1.022 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.147 0.583 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.090 -0.489 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.470 -1.166 -2.277 1.00 0.00 H new ATOM 711 N SER A 44 1.207 -0.661 2.005 1.00 0.00 N ATOM 712 CA SER A 44 1.847 0.138 3.025 1.00 0.00 C ATOM 713 C SER A 44 1.914 1.595 2.584 1.00 0.00 C ATOM 714 O SER A 44 2.254 1.890 1.438 1.00 0.00 O ATOM 715 CB SER A 44 3.247 -0.418 3.309 1.00 0.00 C ATOM 716 OG SER A 44 3.898 0.317 4.314 1.00 0.00 O ATOM 0 H SER A 44 1.837 -1.004 1.280 1.00 0.00 H new ATOM 0 HA SER A 44 1.263 0.092 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.171 -1.462 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.842 -0.394 2.396 1.00 0.00 H new ATOM 0 HG SER A 44 4.787 -0.063 4.473 1.00 0.00 H new ATOM 722 N VAL A 45 1.570 2.499 3.490 1.00 0.00 N ATOM 723 CA VAL A 45 1.571 3.923 3.188 1.00 0.00 C ATOM 724 C VAL A 45 2.268 4.707 4.302 1.00 0.00 C ATOM 725 O VAL A 45 2.137 4.374 5.487 1.00 0.00 O ATOM 726 CB VAL A 45 0.127 4.448 2.977 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.716 4.272 4.231 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.135 5.903 2.533 1.00 0.00 C ATOM 0 H VAL A 45 1.286 2.271 4.443 1.00 0.00 H new ATOM 0 HA VAL A 45 2.124 4.071 2.260 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.326 3.853 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.722 4.650 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.767 3.214 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.264 4.825 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.890 6.246 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.621 6.513 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.680 5.994 1.594 1.00 0.00 H new ATOM 738 N SER A 46 3.026 5.724 3.913 1.00 0.00 N ATOM 739 CA SER A 46 3.765 6.542 4.861 1.00 0.00 C ATOM 740 C SER A 46 2.845 7.553 5.550 1.00 0.00 C ATOM 741 O SER A 46 2.281 8.446 4.910 1.00 0.00 O ATOM 742 CB SER A 46 4.916 7.268 4.152 1.00 0.00 C ATOM 743 OG SER A 46 4.447 8.022 3.043 1.00 0.00 O ATOM 0 H SER A 46 3.144 6.002 2.939 1.00 0.00 H new ATOM 0 HA SER A 46 4.179 5.884 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.420 7.929 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.654 6.541 3.814 1.00 0.00 H new ATOM 0 HG SER A 46 4.913 8.884 3.013 1.00 0.00 H new ATOM 749 N ASP A 47 2.690 7.391 6.855 1.00 0.00 N ATOM 750 CA ASP A 47 1.911 8.315 7.666 1.00 0.00 C ATOM 751 C ASP A 47 2.825 9.347 8.298 1.00 0.00 C ATOM 752 O ASP A 47 3.921 9.023 8.754 1.00 0.00 O ATOM 753 CB ASP A 47 1.152 7.560 8.761 1.00 0.00 C ATOM 754 CG ASP A 47 0.527 8.484 9.790 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.584 8.998 9.536 1.00 0.00 O ATOM 756 OD2 ASP A 47 1.130 8.677 10.866 1.00 0.00 O ATOM 0 H ASP A 47 3.099 6.618 7.381 1.00 0.00 H new ATOM 0 HA ASP A 47 1.190 8.817 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.371 6.953 8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.835 6.874 9.263 1.00 0.00 H new ATOM 761 N PHE A 48 2.376 10.584 8.321 1.00 0.00 N ATOM 762 CA PHE A 48 3.148 11.649 8.929 1.00 0.00 C ATOM 763 C PHE A 48 2.480 12.110 10.211 1.00 0.00 C ATOM 764 O PHE A 48 1.281 12.389 10.237 1.00 0.00 O ATOM 765 CB PHE A 48 3.310 12.824 7.962 1.00 0.00 C ATOM 766 CG PHE A 48 4.053 13.986 8.556 1.00 0.00 C ATOM 767 CD1 PHE A 48 5.430 13.950 8.688 1.00 0.00 C ATOM 768 CD2 PHE A 48 3.370 15.109 8.995 1.00 0.00 C ATOM 769 CE1 PHE A 48 6.115 15.011 9.247 1.00 0.00 C ATOM 770 CE2 PHE A 48 4.049 16.172 9.558 1.00 0.00 C ATOM 771 CZ PHE A 48 5.424 16.123 9.683 1.00 0.00 C ATOM 0 H PHE A 48 1.482 10.878 7.927 1.00 0.00 H new ATOM 0 HA PHE A 48 4.140 11.264 9.165 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.837 12.482 7.071 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.324 13.159 7.640 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.976 13.082 8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.295 15.154 8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.190 14.970 9.343 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.506 17.040 9.900 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.957 16.954 10.121 1.00 0.00 H new ATOM 781 N ASP A 49 3.262 12.184 11.269 1.00 0.00 N ATOM 782 CA ASP A 49 2.782 12.665 12.549 1.00 0.00 C ATOM 783 C ASP A 49 3.656 13.822 12.994 1.00 0.00 C ATOM 784 O ASP A 49 4.862 13.817 12.763 1.00 0.00 O ATOM 785 CB ASP A 49 2.812 11.547 13.588 1.00 0.00 C ATOM 786 CG ASP A 49 2.040 11.902 14.838 1.00 0.00 C ATOM 787 OD1 ASP A 49 2.608 12.577 15.717 1.00 0.00 O ATOM 788 OD2 ASP A 49 0.856 11.507 14.943 1.00 0.00 O ATOM 0 H ASP A 49 4.245 11.913 11.266 1.00 0.00 H new ATOM 0 HA ASP A 49 1.750 13.001 12.448 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.396 10.639 13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.846 11.328 13.853 1.00 0.00 H new ATOM 793 N ASN A 50 3.058 14.805 13.637 1.00 0.00 N ATOM 794 CA ASN A 50 3.772 16.032 13.972 1.00 0.00 C ATOM 795 C ASN A 50 4.457 15.908 15.330 1.00 0.00 C ATOM 796 O ASN A 50 5.242 16.770 15.729 1.00 0.00 O ATOM 797 CB ASN A 50 2.809 17.222 13.966 1.00 0.00 C ATOM 798 CG ASN A 50 3.528 18.560 14.029 1.00 0.00 C ATOM 799 OD1 ASN A 50 4.653 18.702 13.549 1.00 0.00 O ATOM 800 ND2 ASN A 50 2.881 19.551 14.619 1.00 0.00 N ATOM 0 H ASN A 50 2.084 14.784 13.939 1.00 0.00 H new ATOM 0 HA ASN A 50 4.541 16.199 13.218 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.198 17.185 13.064 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.130 17.139 14.815 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.313 20.472 14.688 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.950 19.394 15.005 1.00 0.00 H new ATOM 807 N ALA A 51 4.160 14.826 16.034 1.00 0.00 N ATOM 808 CA ALA A 51 4.776 14.562 17.322 1.00 0.00 C ATOM 809 C ALA A 51 5.751 13.397 17.220 1.00 0.00 C ATOM 810 O ALA A 51 6.870 13.464 17.726 1.00 0.00 O ATOM 811 CB ALA A 51 3.713 14.278 18.376 1.00 0.00 C ATOM 0 H ALA A 51 3.494 14.115 15.732 1.00 0.00 H new ATOM 0 HA ALA A 51 5.331 15.450 17.625 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.194 14.083 19.334 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.054 15.141 18.470 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.129 13.407 18.079 1.00 0.00 H new ATOM 817 N LYS A 52 5.327 12.331 16.552 1.00 0.00 N ATOM 818 CA LYS A 52 6.150 11.134 16.420 1.00 0.00 C ATOM 819 C LYS A 52 7.091 11.234 15.225 1.00 0.00 C ATOM 820 O LYS A 52 8.236 10.779 15.283 1.00 0.00 O ATOM 821 CB LYS A 52 5.274 9.888 16.277 1.00 0.00 C ATOM 822 CG LYS A 52 4.427 9.598 17.501 1.00 0.00 C ATOM 823 CD LYS A 52 3.628 8.318 17.329 1.00 0.00 C ATOM 824 CE LYS A 52 2.815 8.008 18.571 1.00 0.00 C ATOM 825 NZ LYS A 52 2.059 6.733 18.449 1.00 0.00 N ATOM 0 H LYS A 52 4.418 12.271 16.093 1.00 0.00 H new ATOM 0 HA LYS A 52 6.749 11.051 17.327 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.620 10.011 15.414 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.911 9.027 16.074 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.069 9.514 18.378 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.748 10.431 17.682 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.963 8.414 16.471 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.304 7.490 17.118 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.480 7.952 19.433 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.118 8.824 18.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.519 6.565 19.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.404 6.793 17.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.724 5.948 18.296 1.00 0.00 H new ATOM 839 N GLY A 53 6.609 11.834 14.149 1.00 0.00 N ATOM 840 CA GLY A 53 7.386 11.898 12.929 1.00 0.00 C ATOM 841 C GLY A 53 6.735 11.118 11.807 1.00 0.00 C ATOM 842 O GLY A 53 5.913 11.655 11.067 1.00 0.00 O ATOM 0 H GLY A 53 5.692 12.279 14.098 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.504 12.939 12.627 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.385 11.504 13.113 1.00 0.00 H new ATOM 846 N LEU A 54 7.081 9.846 11.687 1.00 0.00 N ATOM 847 CA LEU A 54 6.519 9.002 10.641 1.00 0.00 C ATOM 848 C LEU A 54 5.993 7.694 11.209 1.00 0.00 C ATOM 849 O LEU A 54 6.525 7.167 12.190 1.00 0.00 O ATOM 850 CB LEU A 54 7.567 8.698 9.568 1.00 0.00 C ATOM 851 CG LEU A 54 8.054 9.904 8.769 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.139 9.486 7.797 1.00 0.00 C ATOM 853 CD2 LEU A 54 6.900 10.557 8.027 1.00 0.00 C ATOM 0 H LEU A 54 7.747 9.375 12.299 1.00 0.00 H new ATOM 0 HA LEU A 54 5.690 9.551 10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.427 8.229 10.046 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.151 7.968 8.874 1.00 0.00 H new ATOM 0 HG LEU A 54 8.470 10.633 9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.477 10.356 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.978 9.062 8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.743 8.739 7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.268 11.414 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.454 9.837 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.148 10.889 8.743 1.00 0.00 H new ATOM 865 N ASN A 55 4.941 7.185 10.587 1.00 0.00 N ATOM 866 CA ASN A 55 4.391 5.880 10.926 1.00 0.00 C ATOM 867 C ASN A 55 4.112 5.110 9.646 1.00 0.00 C ATOM 868 O ASN A 55 3.821 5.706 8.611 1.00 0.00 O ATOM 869 CB ASN A 55 3.088 6.010 11.727 1.00 0.00 C ATOM 870 CG ASN A 55 3.273 6.734 13.042 1.00 0.00 C ATOM 871 OD1 ASN A 55 3.603 6.127 14.060 1.00 0.00 O ATOM 872 ND2 ASN A 55 3.023 8.033 13.038 1.00 0.00 N ATOM 0 H ASN A 55 4.445 7.663 9.835 1.00 0.00 H new ATOM 0 HA ASN A 55 5.120 5.352 11.542 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.350 6.542 11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.685 5.016 11.919 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.101 8.570 13.902 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.752 8.498 12.171 1.00 0.00 H new ATOM 879 N VAL A 56 4.212 3.797 9.704 1.00 0.00 N ATOM 880 CA VAL A 56 3.922 2.973 8.542 1.00 0.00 C ATOM 881 C VAL A 56 2.606 2.232 8.730 1.00 0.00 C ATOM 882 O VAL A 56 2.473 1.392 9.622 1.00 0.00 O ATOM 883 CB VAL A 56 5.054 1.962 8.263 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.793 1.201 6.975 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.393 2.672 8.197 1.00 0.00 C ATOM 0 H VAL A 56 4.490 3.278 10.537 1.00 0.00 H new ATOM 0 HA VAL A 56 3.843 3.639 7.683 1.00 0.00 H new ATOM 0 HB VAL A 56 5.080 1.244 9.083 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.604 0.494 6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.851 0.659 7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.736 1.903 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.181 1.945 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.373 3.412 7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.588 3.170 9.147 1.00 0.00 H new ATOM 895 N LYS A 57 1.627 2.563 7.899 1.00 0.00 N ATOM 896 CA LYS A 57 0.325 1.918 7.961 1.00 0.00 C ATOM 897 C LYS A 57 0.254 0.771 6.962 1.00 0.00 C ATOM 898 O LYS A 57 0.202 0.997 5.753 1.00 0.00 O ATOM 899 CB LYS A 57 -0.799 2.913 7.664 1.00 0.00 C ATOM 900 CG LYS A 57 -0.877 4.084 8.628 1.00 0.00 C ATOM 901 CD LYS A 57 -2.064 4.975 8.294 1.00 0.00 C ATOM 902 CE LYS A 57 -2.074 6.255 9.112 1.00 0.00 C ATOM 903 NZ LYS A 57 -2.282 6.012 10.565 1.00 0.00 N ATOM 0 H LYS A 57 1.711 3.275 7.174 1.00 0.00 H new ATOM 0 HA LYS A 57 0.196 1.532 8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.667 3.299 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.751 2.382 7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.968 3.715 9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.045 4.664 8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.040 5.225 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.989 4.426 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.129 6.780 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.862 6.911 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.280 6.920 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.195 5.536 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.516 5.410 10.929 1.00 0.00 H new ATOM 917 N HIS A 58 0.268 -0.452 7.469 1.00 0.00 N ATOM 918 CA HIS A 58 0.150 -1.632 6.623 1.00 0.00 C ATOM 919 C HIS A 58 -1.311 -2.007 6.424 1.00 0.00 C ATOM 920 O HIS A 58 -1.877 -2.785 7.197 1.00 0.00 O ATOM 921 CB HIS A 58 0.917 -2.820 7.220 1.00 0.00 C ATOM 922 CG HIS A 58 2.396 -2.762 6.996 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.029 -3.642 6.151 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.313 -1.923 7.530 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.310 -3.320 6.190 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.532 -2.286 7.013 1.00 0.00 N ATOM 0 H HIS A 58 0.360 -0.655 8.464 1.00 0.00 H new ATOM 0 HA HIS A 58 0.588 -1.389 5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.723 -2.863 8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.530 -3.743 6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.123 -1.122 8.229 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.081 -3.827 5.629 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.433 -1.852 7.216 1.00 0.00 H new ATOM 934 N TYR A 59 -1.926 -1.439 5.400 1.00 0.00 N ATOM 935 CA TYR A 59 -3.295 -1.780 5.050 1.00 0.00 C ATOM 936 C TYR A 59 -3.312 -3.108 4.307 1.00 0.00 C ATOM 937 O TYR A 59 -3.145 -3.151 3.087 1.00 0.00 O ATOM 938 CB TYR A 59 -3.934 -0.689 4.182 1.00 0.00 C ATOM 939 CG TYR A 59 -4.297 0.579 4.929 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.550 0.728 5.511 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.398 1.629 5.039 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.895 1.884 6.183 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.735 2.793 5.708 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.984 2.915 6.278 1.00 0.00 C ATOM 945 OH TYR A 59 -5.327 4.078 6.936 1.00 0.00 O ATOM 0 H TYR A 59 -1.498 -0.738 4.795 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.876 -1.863 5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.246 -0.436 3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.834 -1.093 3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.268 -0.076 5.436 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.418 1.537 4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.873 1.980 6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.023 3.601 5.783 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.572 4.702 6.913 1.00 0.00 H new ATOM 955 N LYS A 60 -3.484 -4.190 5.053 1.00 0.00 N ATOM 956 CA LYS A 60 -3.482 -5.518 4.465 1.00 0.00 C ATOM 957 C LYS A 60 -4.745 -5.752 3.644 1.00 0.00 C ATOM 958 O LYS A 60 -5.869 -5.564 4.118 1.00 0.00 O ATOM 959 CB LYS A 60 -3.306 -6.599 5.539 1.00 0.00 C ATOM 960 CG LYS A 60 -4.344 -6.571 6.651 1.00 0.00 C ATOM 961 CD LYS A 60 -4.008 -7.572 7.747 1.00 0.00 C ATOM 962 CE LYS A 60 -2.755 -7.165 8.505 1.00 0.00 C ATOM 963 NZ LYS A 60 -2.340 -8.190 9.497 1.00 0.00 N ATOM 0 H LYS A 60 -3.626 -4.173 6.063 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.629 -5.585 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.336 -7.577 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.316 -6.492 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.398 -5.569 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.328 -6.796 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.845 -7.649 8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.865 -8.560 7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.943 -6.997 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.933 -6.219 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.482 -7.869 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.103 -8.333 10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.144 -9.087 9.008 1.00 0.00 H new ATOM 977 N ILE A 61 -4.529 -6.153 2.405 1.00 0.00 N ATOM 978 CA ILE A 61 -5.597 -6.360 1.446 1.00 0.00 C ATOM 979 C ILE A 61 -5.988 -7.824 1.417 1.00 0.00 C ATOM 980 O ILE A 61 -5.132 -8.695 1.259 1.00 0.00 O ATOM 981 CB ILE A 61 -5.156 -5.927 0.026 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.711 -4.463 0.029 1.00 0.00 C ATOM 983 CG2 ILE A 61 -6.275 -6.146 -0.984 1.00 0.00 C ATOM 984 CD1 ILE A 61 -4.149 -3.991 -1.295 1.00 0.00 C ATOM 0 H ILE A 61 -3.599 -6.346 2.033 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.449 -5.753 1.753 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.310 -6.547 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.561 -3.835 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.956 -4.324 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.939 -5.834 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.542 -7.203 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.146 -5.558 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.856 -2.944 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.278 -4.592 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.908 -4.096 -2.070 1.00 0.00 H new ATOM 996 N ARG A 62 -7.270 -8.094 1.575 1.00 0.00 N ATOM 997 CA ARG A 62 -7.758 -9.457 1.535 1.00 0.00 C ATOM 998 C ARG A 62 -8.340 -9.749 0.164 1.00 0.00 C ATOM 999 O ARG A 62 -8.978 -8.886 -0.445 1.00 0.00 O ATOM 1000 CB ARG A 62 -8.823 -9.682 2.615 1.00 0.00 C ATOM 1001 CG ARG A 62 -9.218 -11.141 2.789 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.022 -11.979 3.209 1.00 0.00 C ATOM 1003 NE ARG A 62 -8.353 -13.398 3.341 1.00 0.00 N ATOM 1004 CZ ARG A 62 -7.513 -14.311 3.836 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -6.297 -13.950 4.221 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -7.889 -15.580 3.941 1.00 0.00 N ATOM 0 H ARG A 62 -7.990 -7.389 1.732 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.925 -10.133 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.451 -9.300 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.711 -9.102 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.005 -11.222 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.627 -11.525 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.224 -11.862 2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.638 -11.608 4.160 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.277 -13.707 3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.004 -12.976 4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.654 -14.646 4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.823 -15.861 3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.244 -16.273 4.320 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.100 -10.951 -0.338 1.00 0.00 N ATOM 1021 CA LYS A 63 -8.686 -11.368 -1.584 1.00 0.00 C ATOM 1022 C LYS A 63 -10.054 -11.977 -1.323 1.00 0.00 C ATOM 1023 O LYS A 63 -10.202 -12.867 -0.484 1.00 0.00 O ATOM 1024 CB LYS A 63 -7.779 -12.368 -2.303 1.00 0.00 C ATOM 1025 CG LYS A 63 -8.396 -12.910 -3.573 1.00 0.00 C ATOM 1026 CD LYS A 63 -7.446 -13.813 -4.343 1.00 0.00 C ATOM 1027 CE LYS A 63 -7.310 -15.185 -3.702 1.00 0.00 C ATOM 1028 NZ LYS A 63 -8.599 -15.931 -3.697 1.00 0.00 N ATOM 0 H LYS A 63 -7.502 -11.648 0.105 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.800 -10.498 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.831 -11.886 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.554 -13.196 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.300 -13.466 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.698 -12.079 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.804 -13.926 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.465 -13.341 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.559 -15.763 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.953 -15.073 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.412 -16.947 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.193 -15.593 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.094 -15.775 -4.598 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.046 -11.477 -2.032 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.409 -11.952 -1.896 1.00 0.00 C ATOM 1044 C LEU A 64 -12.550 -13.295 -2.587 1.00 0.00 C ATOM 1045 O LEU A 64 -12.209 -13.438 -3.761 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.375 -10.950 -2.529 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.852 -11.153 -2.200 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.091 -11.071 -0.700 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -15.688 -10.118 -2.935 1.00 0.00 C ATOM 0 H LEU A 64 -10.931 -10.731 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.646 -12.059 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.086 -9.947 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.254 -10.991 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.151 -12.148 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.151 -11.219 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.511 -11.844 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.783 -10.091 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.742 -10.266 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.383 -9.118 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -15.539 -10.227 -4.009 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.040 -14.279 -1.849 1.00 0.00 N ATOM 1062 CA ASP A 65 -13.327 -15.593 -2.415 1.00 0.00 C ATOM 1063 C ASP A 65 -14.371 -15.466 -3.516 1.00 0.00 C ATOM 1064 O ASP A 65 -14.383 -16.233 -4.479 1.00 0.00 O ATOM 1065 CB ASP A 65 -13.821 -16.545 -1.320 1.00 0.00 C ATOM 1066 CG ASP A 65 -14.281 -17.884 -1.866 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -13.422 -18.731 -2.188 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -15.509 -18.109 -1.947 1.00 0.00 O ATOM 0 H ASP A 65 -13.249 -14.195 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.412 -16.002 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.020 -16.708 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.644 -16.076 -0.782 1.00 0.00 H new ATOM 1073 N SER A 66 -15.228 -14.466 -3.372 1.00 0.00 N ATOM 1074 CA SER A 66 -16.289 -14.221 -4.331 1.00 0.00 C ATOM 1075 C SER A 66 -15.785 -13.375 -5.502 1.00 0.00 C ATOM 1076 O SER A 66 -16.051 -13.690 -6.660 1.00 0.00 O ATOM 1077 CB SER A 66 -17.453 -13.508 -3.639 1.00 0.00 C ATOM 1078 OG SER A 66 -17.756 -14.111 -2.389 1.00 0.00 O ATOM 0 H SER A 66 -15.206 -13.808 -2.593 1.00 0.00 H new ATOM 0 HA SER A 66 -16.628 -15.180 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.201 -12.458 -3.488 1.00 0.00 H new ATOM 0 HB3 SER A 66 -18.333 -13.535 -4.282 1.00 0.00 H new ATOM 0 HG SER A 66 -18.502 -13.635 -1.968 1.00 0.00 H new ATOM 1084 N GLY A 67 -15.042 -12.311 -5.202 1.00 0.00 N ATOM 1085 CA GLY A 67 -14.659 -11.377 -6.239 1.00 0.00 C ATOM 1086 C GLY A 67 -13.162 -11.273 -6.422 1.00 0.00 C ATOM 1087 O GLY A 67 -12.525 -12.204 -6.916 1.00 0.00 O ATOM 0 H GLY A 67 -14.703 -12.084 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.113 -11.683 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.059 -10.392 -5.998 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.602 -10.141 -6.016 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.206 -9.872 -6.275 1.00 0.00 C ATOM 1093 C GLY A 68 -10.448 -9.422 -5.045 1.00 0.00 C ATOM 1094 O GLY A 68 -10.086 -10.238 -4.202 1.00 0.00 O ATOM 0 H GLY A 68 -13.094 -9.404 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.737 -10.771 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.127 -9.104 -7.044 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.219 -8.123 -4.932 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.411 -7.576 -3.847 1.00 0.00 C ATOM 1100 C PHE A 69 -10.100 -6.376 -3.208 1.00 0.00 C ATOM 1101 O PHE A 69 -10.854 -5.656 -3.871 1.00 0.00 O ATOM 1102 CB PHE A 69 -8.029 -7.160 -4.365 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.223 -8.291 -4.941 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.525 -9.154 -4.112 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.160 -8.488 -6.311 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -5.782 -10.192 -4.639 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.419 -9.525 -6.843 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.727 -10.378 -6.007 1.00 0.00 C ATOM 0 H PHE A 69 -10.582 -7.423 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.292 -8.354 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.155 -6.392 -5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.468 -6.707 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.562 -9.013 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.697 -7.823 -6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.244 -10.859 -3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.381 -9.668 -7.913 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.145 -11.188 -6.421 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.842 -6.168 -1.922 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.396 -5.033 -1.197 1.00 0.00 C ATOM 1120 C TYR A 70 -9.595 -4.779 0.079 1.00 0.00 C ATOM 1121 O TYR A 70 -9.169 -5.718 0.757 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.876 -5.276 -0.859 1.00 0.00 C ATOM 1123 CG TYR A 70 -12.120 -6.424 0.102 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.966 -7.748 -0.300 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -12.503 -6.182 1.416 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -12.184 -8.790 0.580 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.722 -7.220 2.299 1.00 0.00 C ATOM 1128 CZ TYR A 70 -12.561 -8.520 1.877 1.00 0.00 C ATOM 1129 OH TYR A 70 -12.784 -9.552 2.754 1.00 0.00 O ATOM 0 H TYR A 70 -9.248 -6.776 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.330 -4.151 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.292 -4.365 -0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.420 -5.470 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.671 -7.964 -1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.632 -5.164 1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.059 -9.812 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -13.018 -7.013 3.317 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.041 -9.189 3.627 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.375 -3.507 0.387 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.644 -3.124 1.589 1.00 0.00 C ATOM 1141 C ILE A 71 -9.592 -3.071 2.784 1.00 0.00 C ATOM 1142 O ILE A 71 -9.192 -3.287 3.931 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.952 -1.750 1.420 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -7.009 -1.779 0.214 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.192 -1.363 2.684 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -6.273 -0.478 -0.019 1.00 0.00 C ATOM 0 H ILE A 71 -9.693 -2.721 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.874 -3.876 1.761 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.721 -0.997 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.280 -2.577 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.584 -2.025 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.715 -0.394 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.886 -1.304 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.431 -2.114 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.625 -0.577 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.993 0.322 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.669 -0.240 0.857 1.00 0.00 H new ATOM 1158 N THR A 72 -10.855 -2.793 2.500 1.00 0.00 N ATOM 1159 CA THR A 72 -11.868 -2.675 3.531 1.00 0.00 C ATOM 1160 C THR A 72 -13.230 -3.064 2.966 1.00 0.00 C ATOM 1161 O THR A 72 -13.479 -2.908 1.770 1.00 0.00 O ATOM 1162 CB THR A 72 -11.902 -1.239 4.108 1.00 0.00 C ATOM 1163 OG1 THR A 72 -12.984 -1.088 5.041 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.028 -0.207 2.999 1.00 0.00 C ATOM 0 H THR A 72 -11.203 -2.644 1.553 1.00 0.00 H new ATOM 0 HA THR A 72 -11.619 -3.355 4.346 1.00 0.00 H new ATOM 0 HB THR A 72 -10.961 -1.073 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.986 -0.174 5.395 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.050 0.793 3.433 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.176 -0.292 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.949 -0.381 2.443 1.00 0.00 H new ATOM 1172 N SER A 73 -14.100 -3.579 3.825 1.00 0.00 N ATOM 1173 CA SER A 73 -15.397 -4.090 3.398 1.00 0.00 C ATOM 1174 C SER A 73 -16.396 -2.952 3.150 1.00 0.00 C ATOM 1175 O SER A 73 -17.453 -2.881 3.779 1.00 0.00 O ATOM 1176 CB SER A 73 -15.935 -5.068 4.449 1.00 0.00 C ATOM 1177 OG SER A 73 -15.025 -6.138 4.663 1.00 0.00 O ATOM 0 H SER A 73 -13.930 -3.654 4.828 1.00 0.00 H new ATOM 0 HA SER A 73 -15.267 -4.616 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.108 -4.540 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.897 -5.464 4.124 1.00 0.00 H new ATOM 0 HG SER A 73 -15.390 -6.747 5.338 1.00 0.00 H new ATOM 1183 N ARG A 74 -16.040 -2.059 2.236 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.927 -0.979 1.816 1.00 0.00 C ATOM 1185 C ARG A 74 -16.773 -0.732 0.318 1.00 0.00 C ATOM 1186 O ARG A 74 -17.706 -0.290 -0.350 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.637 0.310 2.598 1.00 0.00 C ATOM 1188 CG ARG A 74 -15.238 0.855 2.389 1.00 0.00 C ATOM 1189 CD ARG A 74 -14.994 2.107 3.216 1.00 0.00 C ATOM 1190 NE ARG A 74 -15.114 1.852 4.653 1.00 0.00 N ATOM 1191 CZ ARG A 74 -14.890 2.767 5.594 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -14.490 3.989 5.260 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -15.042 2.458 6.875 1.00 0.00 N ATOM 0 H ARG A 74 -15.134 -2.061 1.767 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.954 -1.278 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.360 1.071 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.787 0.120 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.506 0.093 2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.089 1.081 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.999 2.495 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.707 2.878 2.925 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.386 0.915 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.353 4.230 4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.320 4.686 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.331 1.517 7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.870 3.161 7.593 1.00 0.00 H new ATOM 1207 N THR A 75 -15.586 -1.019 -0.197 1.00 0.00 N ATOM 1208 CA THR A 75 -15.312 -0.891 -1.614 1.00 0.00 C ATOM 1209 C THR A 75 -14.468 -2.072 -2.079 1.00 0.00 C ATOM 1210 O THR A 75 -13.412 -2.354 -1.513 1.00 0.00 O ATOM 1211 CB THR A 75 -14.588 0.435 -1.922 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.342 1.529 -1.387 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.413 0.628 -3.421 1.00 0.00 C ATOM 0 H THR A 75 -14.793 -1.345 0.355 1.00 0.00 H new ATOM 0 HA THR A 75 -16.260 -0.887 -2.152 1.00 0.00 H new ATOM 0 HB THR A 75 -13.601 0.401 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.088 2.357 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.900 1.571 -3.609 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.823 -0.194 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.391 0.645 -3.902 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.954 -2.780 -3.084 1.00 0.00 N ATOM 1222 CA GLN A 76 -14.304 -3.993 -3.552 1.00 0.00 C ATOM 1223 C GLN A 76 -14.036 -3.918 -5.049 1.00 0.00 C ATOM 1224 O GLN A 76 -14.825 -3.341 -5.802 1.00 0.00 O ATOM 1225 CB GLN A 76 -15.185 -5.201 -3.228 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.451 -5.372 -1.739 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.601 -6.315 -1.452 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -16.867 -7.244 -2.212 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -17.287 -6.082 -0.346 1.00 0.00 N ATOM 0 H GLN A 76 -15.802 -2.534 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.346 -4.099 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -16.136 -5.098 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.707 -6.103 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.550 -5.748 -1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.667 -4.398 -1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -17.032 -5.300 0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -18.071 -6.685 -0.096 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.917 -4.489 -5.473 1.00 0.00 N ATOM 1239 CA PHE A 77 -12.557 -4.508 -6.884 1.00 0.00 C ATOM 1240 C PHE A 77 -12.163 -5.909 -7.320 1.00 0.00 C ATOM 1241 O PHE A 77 -12.164 -6.843 -6.517 1.00 0.00 O ATOM 1242 CB PHE A 77 -11.412 -3.534 -7.161 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.801 -2.099 -6.998 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.620 -1.487 -7.931 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.351 -1.364 -5.916 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.987 -0.165 -7.785 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.713 -0.041 -5.767 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.533 0.558 -6.702 1.00 0.00 C ATOM 0 H PHE A 77 -12.242 -4.946 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 77 -13.430 -4.196 -7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.584 -3.757 -6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -11.049 -3.691 -8.177 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.975 -2.050 -8.782 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.711 -1.830 -5.181 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.628 0.303 -8.517 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.355 0.525 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.819 1.593 -6.585 1.00 0.00 H new ATOM 1258 N SER A 78 -11.823 -6.054 -8.591 1.00 0.00 N ATOM 1259 CA SER A 78 -11.440 -7.343 -9.134 1.00 0.00 C ATOM 1260 C SER A 78 -9.922 -7.503 -9.116 1.00 0.00 C ATOM 1261 O SER A 78 -9.406 -8.579 -8.816 1.00 0.00 O ATOM 1262 CB SER A 78 -11.973 -7.476 -10.561 1.00 0.00 C ATOM 1263 OG SER A 78 -13.356 -7.157 -10.611 1.00 0.00 O ATOM 0 H SER A 78 -11.805 -5.290 -9.267 1.00 0.00 H new ATOM 0 HA SER A 78 -11.871 -8.131 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.418 -6.814 -11.225 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.816 -8.493 -10.920 1.00 0.00 H new ATOM 0 HG SER A 78 -13.679 -7.246 -11.532 1.00 0.00 H new ATOM 1269 N SER A 79 -9.213 -6.424 -9.414 1.00 0.00 N ATOM 1270 CA SER A 79 -7.762 -6.462 -9.479 1.00 0.00 C ATOM 1271 C SER A 79 -7.154 -5.442 -8.524 1.00 0.00 C ATOM 1272 O SER A 79 -7.849 -4.560 -8.008 1.00 0.00 O ATOM 1273 CB SER A 79 -7.299 -6.181 -10.912 1.00 0.00 C ATOM 1274 OG SER A 79 -7.719 -4.894 -11.343 1.00 0.00 O ATOM 0 H SER A 79 -9.621 -5.511 -9.615 1.00 0.00 H new ATOM 0 HA SER A 79 -7.426 -7.455 -9.181 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.212 -6.249 -10.966 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.700 -6.941 -11.583 1.00 0.00 H new ATOM 0 HG SER A 79 -7.409 -4.739 -12.260 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.852 -5.565 -8.295 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.124 -4.618 -7.468 1.00 0.00 C ATOM 1282 C LEU A 80 -4.850 -3.344 -8.254 1.00 0.00 C ATOM 1283 O LEU A 80 -4.542 -2.301 -7.681 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.806 -5.228 -6.978 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.938 -6.345 -5.943 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.580 -6.963 -5.654 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.558 -5.807 -4.666 1.00 0.00 C ATOM 0 H LEU A 80 -5.278 -6.318 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.736 -4.377 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.265 -5.618 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.195 -4.433 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.590 -7.119 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.691 -7.757 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.166 -7.378 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.907 -6.198 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.646 -6.613 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.926 -5.017 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.547 -5.404 -4.883 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.977 -3.443 -9.573 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.799 -2.298 -10.453 1.00 0.00 C ATOM 1301 C GLN A 81 -5.949 -1.314 -10.241 1.00 0.00 C ATOM 1302 O GLN A 81 -5.730 -0.116 -10.060 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.753 -2.771 -11.910 1.00 0.00 C ATOM 1304 CG GLN A 81 -3.864 -1.941 -12.831 1.00 0.00 C ATOM 1305 CD GLN A 81 -4.298 -0.492 -12.962 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -5.157 -0.164 -13.780 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.683 0.390 -12.187 1.00 0.00 N ATOM 0 H GLN A 81 -5.204 -4.312 -10.057 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.860 -1.796 -10.223 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.406 -3.804 -11.930 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.767 -2.768 -12.309 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.841 -1.971 -12.456 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.855 -2.398 -13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.976 0.078 -11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.917 1.380 -12.257 1.00 0.00 H new ATOM 1316 N GLN A 82 -7.173 -1.839 -10.241 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.360 -1.031 -9.969 1.00 0.00 C ATOM 1318 C GLN A 82 -8.270 -0.437 -8.568 1.00 0.00 C ATOM 1319 O GLN A 82 -8.666 0.704 -8.332 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.625 -1.886 -10.074 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.850 -2.509 -11.440 1.00 0.00 C ATOM 1322 CD GLN A 82 -11.005 -3.492 -11.444 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -11.299 -4.125 -10.431 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -11.663 -3.636 -12.582 1.00 0.00 N ATOM 0 H GLN A 82 -7.369 -2.823 -10.427 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.410 -0.230 -10.706 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.574 -2.681 -9.330 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.488 -1.269 -9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.044 -1.721 -12.168 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.941 -3.020 -11.758 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.390 -3.093 -13.401 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.444 -4.290 -12.640 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.736 -1.240 -7.656 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.565 -0.853 -6.263 1.00 0.00 C ATOM 1335 C LEU A 83 -6.788 0.459 -6.158 1.00 0.00 C ATOM 1336 O LEU A 83 -7.336 1.483 -5.748 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.840 -1.997 -5.522 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.679 -1.868 -3.998 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.577 -0.880 -3.639 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.995 -1.463 -3.355 1.00 0.00 C ATOM 0 H LEU A 83 -7.408 -2.183 -7.864 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.538 -0.685 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.377 -2.923 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.846 -2.103 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.389 -2.844 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.489 -0.812 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.631 -1.221 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.822 0.101 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.862 -1.377 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.317 -0.503 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.752 -2.218 -3.568 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.522 0.429 -6.548 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.651 1.593 -6.420 1.00 0.00 C ATOM 1354 C VAL A 84 -5.159 2.779 -7.228 1.00 0.00 C ATOM 1355 O VAL A 84 -5.160 3.911 -6.746 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.204 1.275 -6.842 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.440 0.619 -5.701 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.186 0.376 -8.063 1.00 0.00 C ATOM 0 H VAL A 84 -5.072 -0.390 -6.957 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.661 1.859 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.714 2.216 -7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.421 0.404 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.416 1.293 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.935 -0.310 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.154 0.164 -8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.699 -0.558 -7.835 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.692 0.875 -8.890 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.593 2.508 -8.445 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.095 3.546 -9.339 1.00 0.00 C ATOM 1370 C ALA A 85 -7.249 4.331 -8.714 1.00 0.00 C ATOM 1371 O ALA A 85 -7.306 5.556 -8.826 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.530 2.933 -10.660 1.00 0.00 C ATOM 0 H ALA A 85 -5.609 1.569 -8.844 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.281 4.249 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.903 3.717 -11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.680 2.438 -11.129 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.320 2.204 -10.480 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.161 3.632 -8.054 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.330 4.281 -7.476 1.00 0.00 C ATOM 1380 C TYR A 86 -9.002 4.902 -6.123 1.00 0.00 C ATOM 1381 O TYR A 86 -9.442 6.012 -5.821 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.480 3.285 -7.334 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.789 3.926 -6.928 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.574 4.588 -7.865 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.237 3.872 -5.615 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.768 5.178 -7.503 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.432 4.459 -5.245 1.00 0.00 C ATOM 1388 CZ TYR A 86 -14.194 5.111 -6.194 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.384 5.696 -5.832 1.00 0.00 O ATOM 0 H TYR A 86 -8.116 2.624 -7.906 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.637 5.080 -8.152 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.618 2.765 -8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.209 2.532 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.244 4.641 -8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.642 3.363 -4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.366 5.690 -8.242 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.768 4.408 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.539 5.557 -4.874 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.210 4.204 -5.321 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.851 4.688 -3.992 1.00 0.00 C ATOM 1401 C TYR A 87 -6.826 5.819 -4.074 1.00 0.00 C ATOM 1402 O TYR A 87 -6.457 6.420 -3.061 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.336 3.541 -3.122 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.437 2.666 -2.554 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.268 1.913 -3.378 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.647 2.600 -1.186 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.272 1.120 -2.851 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.646 1.810 -0.651 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.456 1.074 -1.485 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.455 0.289 -0.952 1.00 0.00 O ATOM 0 H TYR A 87 -7.803 3.301 -5.566 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.750 5.092 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.661 2.922 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.752 3.954 -2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.127 1.948 -4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -8.017 3.177 -0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.907 0.541 -3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.791 1.770 0.419 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.797 0.706 -0.134 1.00 0.00 H new ATOM 1420 N SER A 88 -6.370 6.102 -5.289 1.00 0.00 N ATOM 1421 CA SER A 88 -5.527 7.257 -5.546 1.00 0.00 C ATOM 1422 C SER A 88 -6.387 8.519 -5.567 1.00 0.00 C ATOM 1423 O SER A 88 -5.920 9.622 -5.279 1.00 0.00 O ATOM 1424 CB SER A 88 -4.802 7.081 -6.887 1.00 0.00 C ATOM 1425 OG SER A 88 -3.871 8.125 -7.114 1.00 0.00 O ATOM 0 H SER A 88 -6.574 5.540 -6.116 1.00 0.00 H new ATOM 0 HA SER A 88 -4.781 7.350 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.285 6.122 -6.899 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.532 7.060 -7.697 1.00 0.00 H new ATOM 0 HG SER A 88 -3.373 8.305 -6.289 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.657 8.335 -5.904 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.601 9.434 -5.992 1.00 0.00 C ATOM 1433 C LYS A 89 -9.484 9.458 -4.747 1.00 0.00 C ATOM 1434 O LYS A 89 -9.689 10.502 -4.126 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.467 9.258 -7.245 1.00 0.00 C ATOM 1436 CG LYS A 89 -10.261 10.492 -7.642 1.00 0.00 C ATOM 1437 CD LYS A 89 -9.359 11.574 -8.217 1.00 0.00 C ATOM 1438 CE LYS A 89 -10.167 12.739 -8.770 1.00 0.00 C ATOM 1439 NZ LYS A 89 -10.848 13.519 -7.703 1.00 0.00 N ATOM 0 H LYS A 89 -8.057 7.423 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.058 10.377 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.825 8.972 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.160 8.433 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.017 10.218 -8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.789 10.882 -6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.682 11.935 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.741 11.151 -9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.507 13.399 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.912 12.360 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.384 14.300 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.499 12.898 -7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.138 13.905 -7.048 1.00 0.00 H new ATOM 1453 N HIS A 90 -10.002 8.291 -4.400 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.861 8.130 -3.241 1.00 0.00 C ATOM 1455 C HIS A 90 -10.158 7.276 -2.192 1.00 0.00 C ATOM 1456 O HIS A 90 -9.991 6.073 -2.383 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.163 7.451 -3.675 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.294 7.645 -2.720 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -13.885 6.620 -2.012 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.970 8.763 -2.393 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.873 7.107 -1.285 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.950 8.409 -1.498 1.00 0.00 N ATOM 0 H HIS A 90 -9.837 7.427 -4.916 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.083 9.106 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.455 7.837 -4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -11.982 6.383 -3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -13.777 9.758 -2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.512 6.537 -0.626 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -15.624 9.044 -1.070 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.761 7.903 -1.088 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.030 7.210 -0.028 1.00 0.00 C ATOM 1473 C ALA A 91 -9.862 6.070 0.547 1.00 0.00 C ATOM 1474 O ALA A 91 -9.331 5.006 0.864 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.637 8.182 1.072 1.00 0.00 C ATOM 0 H ALA A 91 -9.933 8.891 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.123 6.789 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.094 7.648 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.001 8.964 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.534 8.632 1.497 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.165 6.331 0.696 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.158 5.303 1.027 1.00 0.00 C ATOM 1483 C ASP A 92 -11.974 4.745 2.437 1.00 0.00 C ATOM 1484 O ASP A 92 -12.710 5.112 3.355 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.118 4.172 -0.006 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.183 3.126 0.234 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.379 3.453 0.096 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -12.830 1.976 0.554 1.00 0.00 O ATOM 0 H ASP A 92 -11.562 7.265 0.590 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.137 5.782 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.245 4.592 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.137 3.698 0.018 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.007 3.858 2.604 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.758 3.267 3.902 1.00 0.00 C ATOM 1495 C GLY A 93 -9.505 3.822 4.545 1.00 0.00 C ATOM 1496 O GLY A 93 -9.451 4.008 5.762 1.00 0.00 O ATOM 0 H GLY A 93 -10.387 3.535 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.612 3.450 4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.664 2.186 3.797 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.496 4.073 3.726 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.243 4.635 4.193 1.00 0.00 C ATOM 1502 C LEU A 94 -7.435 6.063 4.680 1.00 0.00 C ATOM 1503 O LEU A 94 -8.262 6.812 4.157 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.194 4.612 3.075 1.00 0.00 C ATOM 1505 CG LEU A 94 -5.850 3.228 2.521 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -6.879 2.780 1.503 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.456 3.227 1.912 1.00 0.00 C ATOM 0 H LEU A 94 -8.524 3.893 2.722 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.895 4.024 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.550 5.234 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.279 5.072 3.450 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.864 2.519 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.611 1.793 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.861 2.734 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.906 3.490 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.229 2.234 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.413 3.953 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.725 3.493 2.676 1.00 0.00 H new ATOM 1519 N CYS A 95 -6.669 6.421 5.703 1.00 0.00 N ATOM 1520 CA CYS A 95 -6.665 7.778 6.226 1.00 0.00 C ATOM 1521 C CYS A 95 -5.895 8.699 5.286 1.00 0.00 C ATOM 1522 O CYS A 95 -6.045 9.919 5.329 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.039 7.805 7.623 1.00 0.00 C ATOM 1524 SG CYS A 95 -5.984 9.444 8.376 1.00 0.00 S ATOM 0 H CYS A 95 -6.038 5.783 6.189 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.694 8.130 6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.602 7.137 8.274 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.025 7.411 7.562 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.005 10.350 7.444 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.066 8.098 4.441 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.285 8.837 3.463 1.00 0.00 C ATOM 1532 C HIS A 96 -4.507 8.234 2.088 1.00 0.00 C ATOM 1533 O HIS A 96 -4.338 7.028 1.902 1.00 0.00 O ATOM 1534 CB HIS A 96 -2.788 8.808 3.810 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.467 9.323 5.183 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.440 10.668 5.456 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.177 8.637 6.315 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.139 10.770 6.739 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -1.968 9.566 7.300 1.00 0.00 N ATOM 0 H HIS A 96 -4.918 7.089 4.416 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.612 9.877 3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.426 7.783 3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.244 9.401 3.075 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.121 7.564 6.421 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.043 11.706 7.268 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.728 9.377 8.273 1.00 0.00 H new ATOM 1547 N ARG A 97 -4.912 9.061 1.139 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.156 8.602 -0.222 1.00 0.00 C ATOM 1549 C ARG A 97 -3.838 8.238 -0.898 1.00 0.00 C ATOM 1550 O ARG A 97 -2.781 8.771 -0.547 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.882 9.685 -1.026 1.00 0.00 C ATOM 1552 CG ARG A 97 -5.060 10.947 -1.227 1.00 0.00 C ATOM 1553 CD ARG A 97 -5.846 12.023 -1.954 1.00 0.00 C ATOM 1554 NE ARG A 97 -7.022 12.448 -1.197 1.00 0.00 N ATOM 1555 CZ ARG A 97 -7.288 13.715 -0.888 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -6.421 14.674 -1.190 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -8.404 14.012 -0.238 1.00 0.00 N ATOM 0 H ARG A 97 -5.080 10.057 1.284 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.788 7.715 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.155 9.280 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.810 9.943 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.735 11.327 -0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.161 10.708 -1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.201 12.883 -2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.158 11.648 -2.929 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.678 11.731 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.547 14.441 -1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.629 15.644 -0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.055 13.271 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.612 14.981 0.001 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.905 7.331 -1.861 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.716 6.876 -2.564 1.00 0.00 C ATOM 1573 C LEU A 98 -2.241 7.951 -3.536 1.00 0.00 C ATOM 1574 O LEU A 98 -2.721 8.037 -4.663 1.00 0.00 O ATOM 1575 CB LEU A 98 -3.013 5.569 -3.313 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.569 4.431 -2.448 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.757 3.171 -3.280 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.653 4.150 -1.267 1.00 0.00 C ATOM 0 H LEU A 98 -4.772 6.895 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.925 6.688 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.726 5.780 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.095 5.226 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.539 4.743 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.152 2.374 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.456 3.372 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.798 2.863 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.069 3.339 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.667 3.863 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.566 5.046 -0.653 1.00 0.00 H new ATOM 1590 N THR A 99 -1.303 8.772 -3.090 1.00 0.00 N ATOM 1591 CA THR A 99 -0.852 9.904 -3.882 1.00 0.00 C ATOM 1592 C THR A 99 0.304 9.525 -4.801 1.00 0.00 C ATOM 1593 O THR A 99 0.114 9.317 -6.000 1.00 0.00 O ATOM 1594 CB THR A 99 -0.434 11.084 -2.984 1.00 0.00 C ATOM 1595 OG1 THR A 99 0.413 10.628 -1.917 1.00 0.00 O ATOM 1596 CG2 THR A 99 -1.652 11.783 -2.402 1.00 0.00 C ATOM 0 H THR A 99 -0.841 8.676 -2.186 1.00 0.00 H new ATOM 0 HA THR A 99 -1.697 10.211 -4.499 1.00 0.00 H new ATOM 0 HB THR A 99 0.116 11.794 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.671 11.389 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.329 12.612 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.275 12.163 -3.212 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.227 11.075 -1.804 1.00 0.00 H new ATOM 1604 N ASN A 100 1.498 9.434 -4.237 1.00 0.00 N ATOM 1605 CA ASN A 100 2.674 9.070 -5.009 1.00 0.00 C ATOM 1606 C ASN A 100 3.151 7.687 -4.587 1.00 0.00 C ATOM 1607 O ASN A 100 3.030 7.309 -3.420 1.00 0.00 O ATOM 1608 CB ASN A 100 3.795 10.111 -4.823 1.00 0.00 C ATOM 1609 CG ASN A 100 4.574 9.938 -3.529 1.00 0.00 C ATOM 1610 OD1 ASN A 100 5.595 9.251 -3.497 1.00 0.00 O ATOM 1611 ND2 ASN A 100 4.116 10.572 -2.462 1.00 0.00 N ATOM 0 H ASN A 100 1.678 9.607 -3.248 1.00 0.00 H new ATOM 0 HA ASN A 100 2.411 9.050 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.485 10.045 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.360 11.110 -4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.613 10.501 -1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.266 11.132 -2.527 1.00 0.00 H new ATOM 1618 N VAL A 101 3.668 6.923 -5.532 1.00 0.00 N ATOM 1619 CA VAL A 101 4.130 5.584 -5.231 1.00 0.00 C ATOM 1620 C VAL A 101 5.583 5.635 -4.791 1.00 0.00 C ATOM 1621 O VAL A 101 6.387 6.371 -5.370 1.00 0.00 O ATOM 1622 CB VAL A 101 4.007 4.642 -6.445 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.050 3.198 -5.984 1.00 0.00 C ATOM 1624 CG2 VAL A 101 2.736 4.916 -7.238 1.00 0.00 C ATOM 0 H VAL A 101 3.777 7.205 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 101 3.500 5.192 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 101 4.851 4.829 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.963 2.538 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.995 3.007 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.224 3.010 -5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.682 4.234 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.868 4.766 -6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.747 5.944 -7.600 1.00 0.00 H new ATOM 1634 N CYS A 102 5.908 4.865 -3.762 1.00 0.00 N ATOM 1635 CA CYS A 102 7.261 4.829 -3.231 1.00 0.00 C ATOM 1636 C CYS A 102 8.253 4.475 -4.330 1.00 0.00 C ATOM 1637 O CYS A 102 8.097 3.465 -5.010 1.00 0.00 O ATOM 1638 CB CYS A 102 7.361 3.813 -2.089 1.00 0.00 C ATOM 1639 SG CYS A 102 8.993 3.725 -1.311 1.00 0.00 S ATOM 0 H CYS A 102 5.249 4.255 -3.278 1.00 0.00 H new ATOM 0 HA CYS A 102 7.504 5.818 -2.843 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.622 4.065 -1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.100 2.826 -2.472 1.00 0.00 H new ATOM 0 HG CYS A 102 9.913 3.745 -2.229 1.00 0.00 H new ATOM 1645 N PRO A 103 9.261 5.323 -4.539 1.00 0.00 N ATOM 1646 CA PRO A 103 10.320 5.044 -5.500 1.00 0.00 C ATOM 1647 C PRO A 103 11.219 3.919 -5.007 1.00 0.00 C ATOM 1648 O PRO A 103 11.616 3.902 -3.839 1.00 0.00 O ATOM 1649 CB PRO A 103 11.094 6.361 -5.577 1.00 0.00 C ATOM 1650 CG PRO A 103 10.817 7.052 -4.284 1.00 0.00 C ATOM 1651 CD PRO A 103 9.442 6.621 -3.863 1.00 0.00 C ATOM 0 HA PRO A 103 9.937 4.719 -6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.161 6.184 -5.708 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.764 6.963 -6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.557 6.780 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.866 8.134 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.367 6.522 -2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.685 7.342 -4.171 1.00 0.00 H new ATOM 1659 N THR A 104 11.514 2.965 -5.879 1.00 0.00 N ATOM 1660 CA THR A 104 12.406 1.879 -5.515 1.00 0.00 C ATOM 1661 C THR A 104 13.808 2.419 -5.287 1.00 0.00 C ATOM 1662 O THR A 104 14.211 3.420 -5.884 1.00 0.00 O ATOM 1663 CB THR A 104 12.422 0.742 -6.564 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.360 -0.279 -6.193 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.749 1.265 -7.956 1.00 0.00 C ATOM 0 H THR A 104 11.153 2.922 -6.832 1.00 0.00 H new ATOM 0 HA THR A 104 12.028 1.442 -4.591 1.00 0.00 H new ATOM 0 HB THR A 104 11.420 0.313 -6.590 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.354 -0.990 -6.868 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.751 0.437 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.999 1.997 -8.255 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.732 1.736 -7.946 1.00 0.00 H new ATOM 1673 N SER A 105 14.534 1.761 -4.412 1.00 0.00 N ATOM 1674 CA SER A 105 15.806 2.279 -3.944 1.00 0.00 C ATOM 1675 C SER A 105 16.980 1.546 -4.577 1.00 0.00 C ATOM 1676 O SER A 105 17.060 0.317 -4.539 1.00 0.00 O ATOM 1677 CB SER A 105 15.871 2.175 -2.422 1.00 0.00 C ATOM 1678 OG SER A 105 14.765 2.836 -1.829 1.00 0.00 O ATOM 0 H SER A 105 14.267 0.864 -4.007 1.00 0.00 H new ATOM 0 HA SER A 105 15.878 3.325 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.878 1.127 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 105 16.801 2.615 -2.061 1.00 0.00 H new ATOM 0 HG SER A 105 15.062 3.316 -1.028 1.00 0.00 H new ATOM 1684 N LYS A 106 17.874 2.314 -5.173 1.00 0.00 N ATOM 1685 CA LYS A 106 19.100 1.778 -5.733 1.00 0.00 C ATOM 1686 C LYS A 106 20.249 2.738 -5.461 1.00 0.00 C ATOM 1687 O LYS A 106 20.340 3.777 -6.155 1.00 0.00 O ATOM 1688 CB LYS A 106 18.957 1.527 -7.239 1.00 0.00 C ATOM 1689 CG LYS A 106 20.246 1.054 -7.887 1.00 0.00 C ATOM 1690 CD LYS A 106 20.070 0.764 -9.365 1.00 0.00 C ATOM 1691 CE LYS A 106 21.403 0.449 -10.022 1.00 0.00 C ATOM 1692 NZ LYS A 106 22.085 -0.707 -9.382 1.00 0.00 N ATOM 1693 OXT LYS A 106 21.047 2.466 -4.542 1.00 0.00 O ATOM 0 H LYS A 106 17.771 3.323 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 106 19.310 0.821 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 106 18.179 0.782 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 106 18.628 2.446 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 106 21.017 1.814 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 106 20.597 0.154 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 106 19.389 -0.077 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 106 19.613 1.623 -9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 106 21.244 0.235 -11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 106 22.049 1.325 -9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 22.910 -0.982 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 22.397 -0.440 -8.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 21.425 -1.508 -9.319 1.00 0.00 H new TER 1707 LYS A 106