USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 815 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 59 TYR OH : rot 70:sc= 0.286 USER MOD Set 1.2: A 95 CYS SG : rot -60:sc= -0.0675 USER MOD Set 1.3: A 96 HIS : no HD1:sc= -0.108 K(o=0.11,f=-4.4!) USER MOD Set 2.1: A 15 SER OG : rot -93:sc= 1.05 USER MOD Set 2.2: A 42 CYS SG : rot -88:sc= -0.0825 USER MOD Set 2.3: A 44 SER OG : rot 180:sc= 0.391 USER MOD Set 2.4: A 58 HIS : no HE2:sc= -1.11 K(o=0.24,f=-2.2) USER MOD Set 3.1: A 34 SER OG : rot -64:sc= 0.866 USER MOD Set 3.2: A 36 THR OG1 : rot 180:sc= 0.935 USER MOD Set 4.1: A 28 THR OG1 : rot 57:sc= 2.03 USER MOD Set 4.2: A 100 ASN : amide:sc= -0.991 K(o=1,f=1.7) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.0766 K(o=-2.3,f=-5.6!) USER MOD Set 5.2: A 24 ASN : amide:sc= -2.25! C(o=-2.3!,f=-5.7!) USER MOD Single : A 6 TYR OH : rot 63:sc= 0.289 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -69:sc= 0.814 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= -0.0208 (180deg=-0.232) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.47! K(o=-2.5!,f=-0.54) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc=-0.00757 (180deg=-0.109) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0363) USER MOD Single : A 66 SER OG : rot 62:sc= 0.554 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 -57:sc= 0.153 USER MOD Single : A 75 THR OG1 : rot 93:sc= 1.19 USER MOD Single : A 76 GLN : amide:sc= -2.04! K(o=-2!,f=-0.21) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.11) USER MOD Single : A 82 GLN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 39:sc= -0.735 USER MOD Single : A 88 SER OG : rot 42:sc= 1.19 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) USER MOD Single : A 99 THR OG1 : rot 44:sc= 0.0861 USER MOD Single : A 102 CYS SG : rot -44:sc= 0.0202 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0488 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 4.078 -2.912 -12.242 1.00 0.00 N ATOM 31 CA GLU A 3 3.826 -1.480 -12.280 1.00 0.00 C ATOM 32 C GLU A 3 4.418 -0.807 -11.049 1.00 0.00 C ATOM 33 O GLU A 3 4.660 -1.450 -10.033 1.00 0.00 O ATOM 34 CB GLU A 3 2.325 -1.212 -12.348 1.00 0.00 C ATOM 35 CG GLU A 3 1.678 -1.649 -13.651 1.00 0.00 C ATOM 36 CD GLU A 3 0.172 -1.504 -13.622 1.00 0.00 C ATOM 37 OE1 GLU A 3 -0.315 -0.391 -13.331 1.00 0.00 O ATOM 38 OE2 GLU A 3 -0.527 -2.512 -13.868 1.00 0.00 O ATOM 0 HA GLU A 3 4.301 -1.067 -13.170 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.836 -1.727 -11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.150 -0.145 -12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.082 -1.056 -14.471 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.937 -2.689 -13.852 1.00 0.00 H new ATOM 45 N GLU A 4 4.612 0.507 -11.167 1.00 0.00 N ATOM 46 CA GLU A 4 5.383 1.312 -10.211 1.00 0.00 C ATOM 47 C GLU A 4 4.948 1.118 -8.760 1.00 0.00 C ATOM 48 O GLU A 4 5.751 1.287 -7.845 1.00 0.00 O ATOM 49 CB GLU A 4 5.242 2.788 -10.579 1.00 0.00 C ATOM 50 CG GLU A 4 5.609 3.092 -12.022 1.00 0.00 C ATOM 51 CD GLU A 4 5.196 4.486 -12.451 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.012 4.675 -12.799 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.053 5.398 -12.450 1.00 0.00 O ATOM 0 H GLU A 4 4.233 1.053 -11.941 1.00 0.00 H new ATOM 0 HA GLU A 4 6.418 0.978 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.214 3.102 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.875 3.381 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.686 2.982 -12.149 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.134 2.360 -12.675 1.00 0.00 H new ATOM 60 N TRP A 5 3.679 0.784 -8.561 1.00 0.00 N ATOM 61 CA TRP A 5 3.116 0.645 -7.223 1.00 0.00 C ATOM 62 C TRP A 5 3.428 -0.723 -6.607 1.00 0.00 C ATOM 63 O TRP A 5 3.546 -0.853 -5.387 1.00 0.00 O ATOM 64 CB TRP A 5 1.598 0.893 -7.262 1.00 0.00 C ATOM 65 CG TRP A 5 0.898 0.291 -8.454 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.741 0.864 -9.687 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.246 -0.983 -8.522 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.047 0.015 -10.517 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.265 -1.123 -9.824 1.00 0.00 C ATOM 70 CE3 TRP A 5 0.057 -2.023 -7.611 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.956 -2.261 -10.236 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.630 -3.149 -8.019 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.128 -3.261 -9.322 1.00 0.00 C ATOM 0 H TRP A 5 3.016 0.603 -9.315 1.00 0.00 H new ATOM 0 HA TRP A 5 3.584 1.395 -6.585 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.153 0.489 -6.353 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.418 1.968 -7.255 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.108 1.840 -9.967 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.195 0.203 -11.490 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.441 -1.948 -6.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.341 -2.349 -11.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.786 -3.958 -7.320 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.659 -4.156 -9.611 1.00 0.00 H new ATOM 84 N TYR A 6 3.586 -1.725 -7.459 1.00 0.00 N ATOM 85 CA TYR A 6 3.773 -3.100 -7.012 1.00 0.00 C ATOM 86 C TYR A 6 5.253 -3.481 -7.048 1.00 0.00 C ATOM 87 O TYR A 6 5.844 -3.631 -8.114 1.00 0.00 O ATOM 88 CB TYR A 6 2.957 -4.043 -7.910 1.00 0.00 C ATOM 89 CG TYR A 6 2.664 -5.405 -7.311 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.118 -5.756 -6.046 1.00 0.00 C ATOM 91 CD2 TYR A 6 1.928 -6.343 -8.023 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.847 -7.002 -5.509 1.00 0.00 C ATOM 93 CE2 TYR A 6 1.652 -7.587 -7.494 1.00 0.00 C ATOM 94 CZ TYR A 6 2.114 -7.913 -6.238 1.00 0.00 C ATOM 95 OH TYR A 6 1.846 -9.155 -5.715 1.00 0.00 O ATOM 0 H TYR A 6 3.589 -1.611 -8.473 1.00 0.00 H new ATOM 0 HA TYR A 6 3.425 -3.190 -5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.011 -3.559 -8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.495 -4.183 -8.848 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.692 -5.044 -5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.565 -6.094 -9.009 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.208 -7.259 -4.524 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.076 -8.302 -8.062 1.00 0.00 H new ATOM 0 HH TYR A 6 1.301 -9.059 -4.906 1.00 0.00 H new ATOM 105 N PHE A 7 5.850 -3.645 -5.875 1.00 0.00 N ATOM 106 CA PHE A 7 7.270 -3.986 -5.787 1.00 0.00 C ATOM 107 C PHE A 7 7.486 -5.479 -5.558 1.00 0.00 C ATOM 108 O PHE A 7 8.623 -5.946 -5.480 1.00 0.00 O ATOM 109 CB PHE A 7 7.947 -3.181 -4.680 1.00 0.00 C ATOM 110 CG PHE A 7 8.169 -1.743 -5.042 1.00 0.00 C ATOM 111 CD1 PHE A 7 9.239 -1.381 -5.843 1.00 0.00 C ATOM 112 CD2 PHE A 7 7.313 -0.757 -4.584 1.00 0.00 C ATOM 113 CE1 PHE A 7 9.451 -0.061 -6.182 1.00 0.00 C ATOM 114 CE2 PHE A 7 7.521 0.566 -4.917 1.00 0.00 C ATOM 115 CZ PHE A 7 8.592 0.914 -5.718 1.00 0.00 C ATOM 0 H PHE A 7 5.380 -3.549 -4.975 1.00 0.00 H new ATOM 0 HA PHE A 7 7.723 -3.730 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.336 -3.231 -3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.906 -3.640 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.915 -2.141 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.474 -1.025 -3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.288 0.209 -6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.848 1.328 -4.552 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.757 1.949 -5.981 1.00 0.00 H new ATOM 125 N GLY A 8 6.399 -6.225 -5.456 1.00 0.00 N ATOM 126 CA GLY A 8 6.507 -7.657 -5.265 1.00 0.00 C ATOM 127 C GLY A 8 6.504 -8.040 -3.802 1.00 0.00 C ATOM 128 O GLY A 8 6.009 -7.290 -2.960 1.00 0.00 O ATOM 0 H GLY A 8 5.445 -5.867 -5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.678 -8.153 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.425 -8.016 -5.731 1.00 0.00 H new ATOM 132 N LYS A 9 7.059 -9.200 -3.490 1.00 0.00 N ATOM 133 CA LYS A 9 7.070 -9.686 -2.118 1.00 0.00 C ATOM 134 C LYS A 9 8.273 -9.148 -1.341 1.00 0.00 C ATOM 135 O LYS A 9 9.123 -9.905 -0.869 1.00 0.00 O ATOM 136 CB LYS A 9 7.038 -11.223 -2.079 1.00 0.00 C ATOM 137 CG LYS A 9 8.185 -11.897 -2.816 1.00 0.00 C ATOM 138 CD LYS A 9 8.180 -13.398 -2.585 1.00 0.00 C ATOM 139 CE LYS A 9 9.373 -14.060 -3.252 1.00 0.00 C ATOM 140 NZ LYS A 9 9.414 -15.528 -3.021 1.00 0.00 N ATOM 0 H LYS A 9 7.506 -9.821 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 9 6.169 -9.313 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.051 -11.548 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.096 -11.565 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.106 -11.690 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.133 -11.478 -2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.198 -13.604 -1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.257 -13.826 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.340 -13.865 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.292 -13.611 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.246 -15.931 -3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.473 -15.717 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.551 -15.964 -3.404 1.00 0.00 H new ATOM 154 N ILE A 10 8.351 -7.832 -1.205 1.00 0.00 N ATOM 155 CA ILE A 10 9.387 -7.235 -0.382 1.00 0.00 C ATOM 156 C ILE A 10 9.047 -7.441 1.087 1.00 0.00 C ATOM 157 O ILE A 10 7.885 -7.320 1.493 1.00 0.00 O ATOM 158 CB ILE A 10 9.582 -5.722 -0.662 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.312 -4.930 -0.345 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.000 -5.493 -2.107 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.484 -3.431 -0.465 1.00 0.00 C ATOM 0 H ILE A 10 7.717 -7.167 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 10 10.325 -7.731 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 10 10.376 -5.364 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.517 -5.251 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.988 -5.170 0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.132 -4.425 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.939 -6.011 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.229 -5.878 -2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.543 -2.936 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.256 -3.097 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.777 -3.179 -1.484 1.00 0.00 H new ATOM 173 N THR A 11 10.052 -7.780 1.877 1.00 0.00 N ATOM 174 CA THR A 11 9.856 -7.993 3.298 1.00 0.00 C ATOM 175 C THR A 11 9.641 -6.656 3.987 1.00 0.00 C ATOM 176 O THR A 11 10.006 -5.612 3.443 1.00 0.00 O ATOM 177 CB THR A 11 11.051 -8.737 3.930 1.00 0.00 C ATOM 178 OG1 THR A 11 12.284 -8.080 3.602 1.00 0.00 O ATOM 179 CG2 THR A 11 11.097 -10.178 3.448 1.00 0.00 C ATOM 0 H THR A 11 11.011 -7.913 1.557 1.00 0.00 H new ATOM 0 HA THR A 11 8.974 -8.619 3.432 1.00 0.00 H new ATOM 0 HB THR A 11 10.921 -8.728 5.012 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.471 -8.193 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.946 -10.687 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.175 -10.686 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.203 -10.196 2.363 1.00 0.00 H new ATOM 187 N ARG A 12 9.050 -6.677 5.172 1.00 0.00 N ATOM 188 CA ARG A 12 8.703 -5.437 5.849 1.00 0.00 C ATOM 189 C ARG A 12 9.959 -4.675 6.267 1.00 0.00 C ATOM 190 O ARG A 12 9.925 -3.460 6.432 1.00 0.00 O ATOM 191 CB ARG A 12 7.803 -5.695 7.057 1.00 0.00 C ATOM 192 CG ARG A 12 8.529 -6.222 8.277 1.00 0.00 C ATOM 193 CD ARG A 12 7.633 -6.177 9.498 1.00 0.00 C ATOM 194 NE ARG A 12 7.067 -4.844 9.706 1.00 0.00 N ATOM 195 CZ ARG A 12 6.239 -4.537 10.702 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.912 -5.454 11.609 1.00 0.00 N ATOM 197 NH2 ARG A 12 5.738 -3.313 10.788 1.00 0.00 N ATOM 0 H ARG A 12 8.803 -7.527 5.679 1.00 0.00 H new ATOM 0 HA ARG A 12 8.146 -4.821 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.298 -4.767 7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.030 -6.409 6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.855 -7.246 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.426 -5.629 8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.826 -6.901 9.384 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.203 -6.471 10.379 1.00 0.00 H new ATOM 0 HE ARG A 12 7.322 -4.106 9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.296 -6.397 11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.277 -5.214 12.371 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.987 -2.610 10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.103 -3.074 11.550 1.00 0.00 H new ATOM 211 N ARG A 13 11.074 -5.385 6.420 1.00 0.00 N ATOM 212 CA ARG A 13 12.346 -4.735 6.706 1.00 0.00 C ATOM 213 C ARG A 13 12.712 -3.811 5.552 1.00 0.00 C ATOM 214 O ARG A 13 13.214 -2.708 5.756 1.00 0.00 O ATOM 215 CB ARG A 13 13.453 -5.767 6.926 1.00 0.00 C ATOM 216 CG ARG A 13 14.716 -5.172 7.522 1.00 0.00 C ATOM 217 CD ARG A 13 14.431 -4.560 8.882 1.00 0.00 C ATOM 218 NE ARG A 13 15.583 -3.855 9.432 1.00 0.00 N ATOM 219 CZ ARG A 13 15.482 -2.808 10.248 1.00 0.00 C ATOM 220 NH1 ARG A 13 14.285 -2.347 10.597 1.00 0.00 N ATOM 221 NH2 ARG A 13 16.575 -2.213 10.711 1.00 0.00 N ATOM 0 H ARG A 13 11.121 -6.402 6.351 1.00 0.00 H new ATOM 0 HA ARG A 13 12.243 -4.153 7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.083 -6.552 7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.696 -6.239 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.478 -5.945 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.117 -4.411 6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.593 -3.868 8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.126 -5.346 9.573 1.00 0.00 H new ATOM 0 HE ARG A 13 16.515 -4.181 9.178 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.442 -2.796 10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.210 -1.545 11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.496 -2.558 10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.493 -1.411 11.336 1.00 0.00 H new ATOM 235 N GLU A 14 12.431 -4.274 4.341 1.00 0.00 N ATOM 236 CA GLU A 14 12.656 -3.487 3.138 1.00 0.00 C ATOM 237 C GLU A 14 11.598 -2.393 3.031 1.00 0.00 C ATOM 238 O GLU A 14 11.876 -1.285 2.576 1.00 0.00 O ATOM 239 CB GLU A 14 12.605 -4.396 1.906 1.00 0.00 C ATOM 240 CG GLU A 14 13.573 -5.565 1.972 1.00 0.00 C ATOM 241 CD GLU A 14 13.383 -6.553 0.837 1.00 0.00 C ATOM 242 OE1 GLU A 14 14.034 -6.385 -0.216 1.00 0.00 O ATOM 243 OE2 GLU A 14 12.593 -7.514 1.000 1.00 0.00 O ATOM 0 H GLU A 14 12.043 -5.201 4.166 1.00 0.00 H new ATOM 0 HA GLU A 14 13.640 -3.021 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.592 -4.780 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.824 -3.803 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.595 -5.186 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.446 -6.083 2.923 1.00 0.00 H new ATOM 250 N SER A 15 10.386 -2.729 3.468 1.00 0.00 N ATOM 251 CA SER A 15 9.262 -1.798 3.471 1.00 0.00 C ATOM 252 C SER A 15 9.563 -0.579 4.344 1.00 0.00 C ATOM 253 O SER A 15 9.709 0.538 3.835 1.00 0.00 O ATOM 254 CB SER A 15 7.999 -2.519 3.966 1.00 0.00 C ATOM 255 OG SER A 15 6.917 -1.626 4.157 1.00 0.00 O ATOM 0 H SER A 15 10.157 -3.655 3.830 1.00 0.00 H new ATOM 0 HA SER A 15 9.097 -1.444 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.713 -3.285 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.217 -3.029 4.904 1.00 0.00 H new ATOM 0 HG SER A 15 6.899 -1.328 5.091 1.00 0.00 H new ATOM 261 N GLU A 16 9.669 -0.798 5.654 1.00 0.00 N ATOM 262 CA GLU A 16 9.924 0.264 6.599 1.00 0.00 C ATOM 263 C GLU A 16 11.177 1.064 6.235 1.00 0.00 C ATOM 264 O GLU A 16 11.198 2.286 6.365 1.00 0.00 O ATOM 265 CB GLU A 16 10.067 -0.347 7.985 1.00 0.00 C ATOM 266 CG GLU A 16 8.756 -0.776 8.639 1.00 0.00 C ATOM 267 CD GLU A 16 7.807 -1.572 7.766 1.00 0.00 C ATOM 268 OE1 GLU A 16 7.165 -0.985 6.871 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.671 -2.787 8.009 1.00 0.00 O ATOM 0 H GLU A 16 9.579 -1.720 6.080 1.00 0.00 H new ATOM 0 HA GLU A 16 9.087 0.962 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.723 -1.215 7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.561 0.375 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.991 -1.371 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.236 0.117 8.985 1.00 0.00 H new ATOM 276 N ARG A 17 12.211 0.374 5.761 1.00 0.00 N ATOM 277 CA ARG A 17 13.480 1.019 5.425 1.00 0.00 C ATOM 278 C ARG A 17 13.291 2.135 4.393 1.00 0.00 C ATOM 279 O ARG A 17 13.910 3.195 4.496 1.00 0.00 O ATOM 280 CB ARG A 17 14.481 -0.023 4.907 1.00 0.00 C ATOM 281 CG ARG A 17 15.806 0.552 4.419 1.00 0.00 C ATOM 282 CD ARG A 17 16.455 1.457 5.455 1.00 0.00 C ATOM 283 NE ARG A 17 16.642 0.789 6.742 1.00 0.00 N ATOM 284 CZ ARG A 17 16.731 1.430 7.906 1.00 0.00 C ATOM 285 NH1 ARG A 17 16.706 2.758 7.941 1.00 0.00 N ATOM 286 NH2 ARG A 17 16.871 0.740 9.026 1.00 0.00 N ATOM 0 H ARG A 17 12.196 -0.633 5.600 1.00 0.00 H new ATOM 0 HA ARG A 17 13.874 1.474 6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.683 -0.740 5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.018 -0.576 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.486 -0.264 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.640 1.115 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 17 17.421 1.797 5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.838 2.344 5.596 1.00 0.00 H new ATOM 0 HE ARG A 17 16.708 -0.229 6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.618 3.289 7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.774 3.246 8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.910 -0.279 8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.940 1.227 9.920 1.00 0.00 H new ATOM 300 N LEU A 18 12.426 1.908 3.416 1.00 0.00 N ATOM 301 CA LEU A 18 12.225 2.879 2.348 1.00 0.00 C ATOM 302 C LEU A 18 11.183 3.922 2.740 1.00 0.00 C ATOM 303 O LEU A 18 11.296 5.097 2.384 1.00 0.00 O ATOM 304 CB LEU A 18 11.798 2.174 1.059 1.00 0.00 C ATOM 305 CG LEU A 18 12.760 1.094 0.555 1.00 0.00 C ATOM 306 CD1 LEU A 18 12.257 0.501 -0.753 1.00 0.00 C ATOM 307 CD2 LEU A 18 14.161 1.660 0.383 1.00 0.00 C ATOM 0 H LEU A 18 11.855 1.066 3.339 1.00 0.00 H new ATOM 0 HA LEU A 18 13.173 3.389 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.820 1.720 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.677 2.924 0.277 1.00 0.00 H new ATOM 0 HG LEU A 18 12.803 0.299 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.953 -0.265 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.275 0.055 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.183 1.287 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.828 0.876 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.138 2.476 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.522 2.034 1.341 1.00 0.00 H new ATOM 319 N LEU A 19 10.179 3.492 3.491 1.00 0.00 N ATOM 320 CA LEU A 19 9.060 4.359 3.841 1.00 0.00 C ATOM 321 C LEU A 19 9.389 5.282 5.014 1.00 0.00 C ATOM 322 O LEU A 19 8.715 6.294 5.215 1.00 0.00 O ATOM 323 CB LEU A 19 7.824 3.517 4.150 1.00 0.00 C ATOM 324 CG LEU A 19 7.237 2.785 2.943 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.162 1.809 3.380 1.00 0.00 C ATOM 326 CD2 LEU A 19 6.669 3.776 1.939 1.00 0.00 C ATOM 0 H LEU A 19 10.115 2.547 3.871 1.00 0.00 H new ATOM 0 HA LEU A 19 8.856 4.997 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.082 2.783 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.056 4.164 4.575 1.00 0.00 H new ATOM 0 HG LEU A 19 8.040 2.225 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.757 1.298 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.592 1.075 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.363 2.351 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.256 3.235 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.882 4.363 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.461 4.441 1.596 1.00 0.00 H new ATOM 338 N LEU A 20 10.428 4.952 5.774 1.00 0.00 N ATOM 339 CA LEU A 20 10.858 5.799 6.887 1.00 0.00 C ATOM 340 C LEU A 20 11.784 6.917 6.416 1.00 0.00 C ATOM 341 O LEU A 20 12.464 7.552 7.226 1.00 0.00 O ATOM 342 CB LEU A 20 11.552 4.970 7.973 1.00 0.00 C ATOM 343 CG LEU A 20 10.660 4.522 9.137 1.00 0.00 C ATOM 344 CD1 LEU A 20 10.116 5.725 9.891 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.521 3.646 8.646 1.00 0.00 C ATOM 0 H LEU A 20 10.987 4.109 5.643 1.00 0.00 H new ATOM 0 HA LEU A 20 9.961 6.253 7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.984 4.084 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.380 5.553 8.377 1.00 0.00 H new ATOM 0 HG LEU A 20 11.272 3.933 9.820 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.486 5.385 10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.945 6.311 10.288 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.527 6.343 9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.904 3.343 9.492 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.912 4.205 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.928 2.760 8.157 1.00 0.00 H new ATOM 357 N ASN A 21 11.827 7.139 5.109 1.00 0.00 N ATOM 358 CA ASN A 21 12.556 8.271 4.546 1.00 0.00 C ATOM 359 C ASN A 21 11.862 9.571 4.942 1.00 0.00 C ATOM 360 O ASN A 21 10.691 9.779 4.624 1.00 0.00 O ATOM 361 CB ASN A 21 12.634 8.151 3.019 1.00 0.00 C ATOM 362 CG ASN A 21 13.227 9.379 2.347 1.00 0.00 C ATOM 363 OD1 ASN A 21 14.115 10.040 2.886 1.00 0.00 O ATOM 364 ND2 ASN A 21 12.725 9.701 1.168 1.00 0.00 N ATOM 0 H ASN A 21 11.365 6.550 4.416 1.00 0.00 H new ATOM 0 HA ASN A 21 13.572 8.273 4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.235 7.279 2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.633 7.977 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.073 10.522 0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.990 9.129 0.753 1.00 0.00 H new ATOM 371 N PRO A 22 12.576 10.459 5.654 1.00 0.00 N ATOM 372 CA PRO A 22 12.011 11.715 6.166 1.00 0.00 C ATOM 373 C PRO A 22 11.423 12.604 5.071 1.00 0.00 C ATOM 374 O PRO A 22 10.597 13.472 5.347 1.00 0.00 O ATOM 375 CB PRO A 22 13.207 12.409 6.824 1.00 0.00 C ATOM 376 CG PRO A 22 14.171 11.315 7.124 1.00 0.00 C ATOM 377 CD PRO A 22 13.993 10.302 6.032 1.00 0.00 C ATOM 0 HA PRO A 22 11.179 11.523 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.647 13.151 6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.909 12.932 7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.194 11.691 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.972 10.875 8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.658 10.496 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.207 9.292 6.381 1.00 0.00 H new ATOM 385 N GLU A 23 11.844 12.389 3.830 1.00 0.00 N ATOM 386 CA GLU A 23 11.362 13.201 2.721 1.00 0.00 C ATOM 387 C GLU A 23 10.239 12.499 1.961 1.00 0.00 C ATOM 388 O GLU A 23 9.982 12.799 0.794 1.00 0.00 O ATOM 389 CB GLU A 23 12.508 13.553 1.776 1.00 0.00 C ATOM 390 CG GLU A 23 13.587 14.395 2.430 1.00 0.00 C ATOM 391 CD GLU A 23 13.048 15.684 3.024 1.00 0.00 C ATOM 392 OE1 GLU A 23 12.781 16.635 2.261 1.00 0.00 O ATOM 393 OE2 GLU A 23 12.898 15.757 4.263 1.00 0.00 O ATOM 0 H GLU A 23 12.513 11.665 3.568 1.00 0.00 H new ATOM 0 HA GLU A 23 10.956 14.123 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.954 12.633 1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.109 14.090 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.070 13.813 3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.353 14.633 1.692 1.00 0.00 H new ATOM 400 N ASN A 24 9.592 11.547 2.615 1.00 0.00 N ATOM 401 CA ASN A 24 8.378 10.950 2.076 1.00 0.00 C ATOM 402 C ASN A 24 7.165 11.734 2.550 1.00 0.00 C ATOM 403 O ASN A 24 6.919 11.839 3.755 1.00 0.00 O ATOM 404 CB ASN A 24 8.223 9.487 2.502 1.00 0.00 C ATOM 405 CG ASN A 24 9.274 8.574 1.909 1.00 0.00 C ATOM 406 OD1 ASN A 24 9.824 8.840 0.841 1.00 0.00 O ATOM 407 ND2 ASN A 24 9.553 7.481 2.599 1.00 0.00 N ATOM 0 H ASN A 24 9.885 11.171 3.517 1.00 0.00 H new ATOM 0 HA ASN A 24 8.452 10.983 0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.271 9.426 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.236 9.133 2.206 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.248 6.821 2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.074 7.298 3.481 1.00 0.00 H new ATOM 414 N PRO A 25 6.408 12.320 1.619 1.00 0.00 N ATOM 415 CA PRO A 25 5.168 13.017 1.951 1.00 0.00 C ATOM 416 C PRO A 25 4.095 12.048 2.435 1.00 0.00 C ATOM 417 O PRO A 25 4.021 10.906 1.971 1.00 0.00 O ATOM 418 CB PRO A 25 4.753 13.667 0.626 1.00 0.00 C ATOM 419 CG PRO A 25 5.423 12.856 -0.429 1.00 0.00 C ATOM 420 CD PRO A 25 6.705 12.361 0.177 1.00 0.00 C ATOM 0 HA PRO A 25 5.299 13.736 2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.670 13.656 0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.068 14.709 0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.792 12.023 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.618 13.457 -1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.976 11.377 -0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.538 13.029 -0.043 1.00 0.00 H new ATOM 428 N ARG A 26 3.292 12.496 3.388 1.00 0.00 N ATOM 429 CA ARG A 26 2.190 11.696 3.901 1.00 0.00 C ATOM 430 C ARG A 26 1.263 11.287 2.760 1.00 0.00 C ATOM 431 O ARG A 26 0.570 12.121 2.176 1.00 0.00 O ATOM 432 CB ARG A 26 1.430 12.481 4.972 1.00 0.00 C ATOM 433 CG ARG A 26 0.187 11.775 5.485 1.00 0.00 C ATOM 434 CD ARG A 26 -0.341 12.424 6.750 1.00 0.00 C ATOM 435 NE ARG A 26 -0.582 13.857 6.594 1.00 0.00 N ATOM 436 CZ ARG A 26 -1.175 14.613 7.518 1.00 0.00 C ATOM 437 NH1 ARG A 26 -1.626 14.062 8.640 1.00 0.00 N ATOM 438 NH2 ARG A 26 -1.306 15.918 7.320 1.00 0.00 N ATOM 0 H ARG A 26 3.384 13.414 3.824 1.00 0.00 H new ATOM 0 HA ARG A 26 2.586 10.789 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.099 12.674 5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.143 13.450 4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.586 11.793 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.417 10.728 5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.269 11.934 7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.373 12.266 7.559 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.279 14.304 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.519 13.060 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.080 14.642 9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.953 16.342 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.760 16.498 8.026 1.00 0.00 H new ATOM 452 N GLY A 27 1.268 9.999 2.447 1.00 0.00 N ATOM 453 CA GLY A 27 0.539 9.508 1.298 1.00 0.00 C ATOM 454 C GLY A 27 1.426 8.686 0.382 1.00 0.00 C ATOM 455 O GLY A 27 0.983 8.201 -0.663 1.00 0.00 O ATOM 0 H GLY A 27 1.768 9.282 2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.302 8.900 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.123 10.349 0.744 1.00 0.00 H new ATOM 459 N THR A 28 2.693 8.562 0.761 1.00 0.00 N ATOM 460 CA THR A 28 3.637 7.713 0.048 1.00 0.00 C ATOM 461 C THR A 28 3.396 6.251 0.412 1.00 0.00 C ATOM 462 O THR A 28 3.326 5.909 1.591 1.00 0.00 O ATOM 463 CB THR A 28 5.087 8.104 0.388 1.00 0.00 C ATOM 464 OG1 THR A 28 5.278 9.501 0.145 1.00 0.00 O ATOM 465 CG2 THR A 28 6.082 7.308 -0.441 1.00 0.00 C ATOM 0 H THR A 28 3.092 9.044 1.566 1.00 0.00 H new ATOM 0 HA THR A 28 3.484 7.850 -1.023 1.00 0.00 H new ATOM 0 HB THR A 28 5.260 7.880 1.441 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.627 10.016 0.667 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.097 7.607 -0.178 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.954 6.244 -0.241 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.910 7.501 -1.500 1.00 0.00 H new ATOM 473 N PHE A 29 3.263 5.395 -0.588 1.00 0.00 N ATOM 474 CA PHE A 29 2.899 4.007 -0.341 1.00 0.00 C ATOM 475 C PHE A 29 3.681 3.047 -1.227 1.00 0.00 C ATOM 476 O PHE A 29 4.402 3.462 -2.135 1.00 0.00 O ATOM 477 CB PHE A 29 1.401 3.812 -0.602 1.00 0.00 C ATOM 478 CG PHE A 29 1.024 3.913 -2.060 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.911 5.145 -2.679 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.786 2.769 -2.807 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.568 5.238 -4.016 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.441 2.855 -4.143 1.00 0.00 C ATOM 483 CZ PHE A 29 0.333 4.092 -4.747 1.00 0.00 C ATOM 0 H PHE A 29 3.400 5.632 -1.570 1.00 0.00 H new ATOM 0 HA PHE A 29 3.140 3.786 0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.099 2.835 -0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.842 4.559 -0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.093 6.046 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.871 1.799 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.484 6.206 -4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.256 1.957 -4.713 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.065 4.162 -5.791 1.00 0.00 H new ATOM 493 N LEU A 30 3.531 1.764 -0.927 1.00 0.00 N ATOM 494 CA LEU A 30 3.960 0.686 -1.803 1.00 0.00 C ATOM 495 C LEU A 30 3.180 -0.572 -1.440 1.00 0.00 C ATOM 496 O LEU A 30 2.776 -0.736 -0.288 1.00 0.00 O ATOM 497 CB LEU A 30 5.486 0.447 -1.727 1.00 0.00 C ATOM 498 CG LEU A 30 6.104 0.244 -0.329 1.00 0.00 C ATOM 499 CD1 LEU A 30 5.750 -1.117 0.252 1.00 0.00 C ATOM 500 CD2 LEU A 30 7.617 0.398 -0.396 1.00 0.00 C ATOM 0 H LEU A 30 3.103 1.441 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 30 3.751 0.963 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.720 -0.431 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.984 1.296 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 30 5.688 1.008 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.204 -1.221 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.667 -1.204 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.125 -1.902 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.042 0.252 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.028 -0.345 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.866 1.397 -0.754 1.00 0.00 H new ATOM 512 N VAL A 31 2.924 -1.438 -2.406 1.00 0.00 N ATOM 513 CA VAL A 31 2.223 -2.677 -2.109 1.00 0.00 C ATOM 514 C VAL A 31 3.171 -3.868 -2.188 1.00 0.00 C ATOM 515 O VAL A 31 3.803 -4.128 -3.216 1.00 0.00 O ATOM 516 CB VAL A 31 0.981 -2.892 -3.014 1.00 0.00 C ATOM 517 CG1 VAL A 31 1.314 -2.688 -4.469 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.377 -4.273 -2.801 1.00 0.00 C ATOM 0 H VAL A 31 3.185 -1.311 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 31 1.853 -2.594 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 31 0.242 -2.143 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.420 -2.847 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.678 -1.672 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.085 -3.398 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.491 -4.394 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.118 -5.035 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.071 -4.380 -1.760 1.00 0.00 H new ATOM 528 N ARG A 32 3.279 -4.562 -1.070 1.00 0.00 N ATOM 529 CA ARG A 32 4.145 -5.719 -0.953 1.00 0.00 C ATOM 530 C ARG A 32 3.315 -6.988 -0.821 1.00 0.00 C ATOM 531 O ARG A 32 2.228 -6.974 -0.242 1.00 0.00 O ATOM 532 CB ARG A 32 5.072 -5.569 0.258 1.00 0.00 C ATOM 533 CG ARG A 32 4.344 -5.201 1.540 1.00 0.00 C ATOM 534 CD ARG A 32 5.255 -5.262 2.758 1.00 0.00 C ATOM 535 NE ARG A 32 5.664 -6.632 3.061 1.00 0.00 N ATOM 536 CZ ARG A 32 5.329 -7.282 4.177 1.00 0.00 C ATOM 537 NH1 ARG A 32 4.629 -6.670 5.128 1.00 0.00 N ATOM 538 NH2 ARG A 32 5.702 -8.544 4.344 1.00 0.00 N ATOM 0 H ARG A 32 2.767 -4.338 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 32 4.754 -5.789 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.610 -6.505 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.818 -4.804 0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.933 -4.196 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.502 -5.878 1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.139 -4.649 2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.739 -4.838 3.619 1.00 0.00 H new ATOM 0 HE ARG A 32 6.241 -7.121 2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.345 -5.698 5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.376 -7.173 5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.244 -9.016 3.620 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.447 -9.043 5.196 1.00 0.00 H new ATOM 552 N GLU A 33 3.821 -8.072 -1.378 1.00 0.00 N ATOM 553 CA GLU A 33 3.145 -9.353 -1.290 1.00 0.00 C ATOM 554 C GLU A 33 3.598 -10.105 -0.048 1.00 0.00 C ATOM 555 O GLU A 33 4.795 -10.197 0.237 1.00 0.00 O ATOM 556 CB GLU A 33 3.417 -10.193 -2.541 1.00 0.00 C ATOM 557 CG GLU A 33 2.762 -11.564 -2.512 1.00 0.00 C ATOM 558 CD GLU A 33 3.026 -12.364 -3.769 1.00 0.00 C ATOM 559 OE1 GLU A 33 2.266 -12.206 -4.742 1.00 0.00 O ATOM 560 OE2 GLU A 33 3.994 -13.152 -3.791 1.00 0.00 O ATOM 0 H GLU A 33 4.699 -8.091 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 33 2.073 -9.170 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.062 -9.649 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.494 -10.317 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.129 -12.119 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.686 -11.446 -2.381 1.00 0.00 H new ATOM 567 N SER A 34 2.637 -10.616 0.700 1.00 0.00 N ATOM 568 CA SER A 34 2.930 -11.451 1.841 1.00 0.00 C ATOM 569 C SER A 34 2.634 -12.901 1.467 1.00 0.00 C ATOM 570 O SER A 34 1.474 -13.293 1.335 1.00 0.00 O ATOM 571 CB SER A 34 2.091 -11.016 3.048 1.00 0.00 C ATOM 572 OG SER A 34 2.659 -11.477 4.265 1.00 0.00 O ATOM 0 H SER A 34 1.642 -10.464 0.533 1.00 0.00 H new ATOM 0 HA SER A 34 3.980 -11.353 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.016 -9.929 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.077 -11.404 2.948 1.00 0.00 H new ATOM 0 HG SER A 34 2.652 -12.457 4.279 1.00 0.00 H new ATOM 578 N GLU A 35 3.688 -13.692 1.289 1.00 0.00 N ATOM 579 CA GLU A 35 3.548 -15.059 0.797 1.00 0.00 C ATOM 580 C GLU A 35 3.024 -15.990 1.887 1.00 0.00 C ATOM 581 O GLU A 35 2.782 -17.174 1.647 1.00 0.00 O ATOM 582 CB GLU A 35 4.888 -15.569 0.255 1.00 0.00 C ATOM 583 CG GLU A 35 5.988 -15.655 1.300 1.00 0.00 C ATOM 584 CD GLU A 35 7.312 -16.112 0.721 1.00 0.00 C ATOM 585 OE1 GLU A 35 7.304 -16.924 -0.225 1.00 0.00 O ATOM 586 OE2 GLU A 35 8.370 -15.676 1.224 1.00 0.00 O ATOM 0 H GLU A 35 4.650 -13.409 1.478 1.00 0.00 H new ATOM 0 HA GLU A 35 2.820 -15.052 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.739 -16.556 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.216 -14.911 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.118 -14.678 1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.683 -16.345 2.087 1.00 0.00 H new ATOM 593 N THR A 36 2.849 -15.438 3.080 1.00 0.00 N ATOM 594 CA THR A 36 2.337 -16.184 4.215 1.00 0.00 C ATOM 595 C THR A 36 0.883 -16.605 3.994 1.00 0.00 C ATOM 596 O THR A 36 0.504 -17.744 4.277 1.00 0.00 O ATOM 597 CB THR A 36 2.431 -15.327 5.488 1.00 0.00 C ATOM 598 OG1 THR A 36 3.053 -14.069 5.169 1.00 0.00 O ATOM 599 CG2 THR A 36 3.232 -16.046 6.564 1.00 0.00 C ATOM 0 H THR A 36 3.059 -14.461 3.285 1.00 0.00 H new ATOM 0 HA THR A 36 2.943 -17.083 4.326 1.00 0.00 H new ATOM 0 HB THR A 36 1.426 -15.153 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.113 -13.519 5.978 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.286 -15.422 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.745 -16.990 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.239 -16.243 6.197 1.00 0.00 H new ATOM 607 N THR A 37 0.084 -15.689 3.464 1.00 0.00 N ATOM 608 CA THR A 37 -1.329 -15.938 3.249 1.00 0.00 C ATOM 609 C THR A 37 -1.677 -15.780 1.772 1.00 0.00 C ATOM 610 O THR A 37 -1.373 -14.754 1.159 1.00 0.00 O ATOM 611 CB THR A 37 -2.189 -14.970 4.088 1.00 0.00 C ATOM 612 OG1 THR A 37 -1.781 -15.021 5.464 1.00 0.00 O ATOM 613 CG2 THR A 37 -3.664 -15.322 3.983 1.00 0.00 C ATOM 0 H THR A 37 0.396 -14.762 3.174 1.00 0.00 H new ATOM 0 HA THR A 37 -1.542 -16.960 3.562 1.00 0.00 H new ATOM 0 HB THR A 37 -2.044 -13.962 3.699 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.330 -14.403 5.991 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.248 -14.625 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.980 -15.258 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.823 -16.337 4.348 1.00 0.00 H new ATOM 621 N LYS A 38 -2.321 -16.794 1.205 1.00 0.00 N ATOM 622 CA LYS A 38 -2.658 -16.788 -0.212 1.00 0.00 C ATOM 623 C LYS A 38 -3.892 -15.929 -0.460 1.00 0.00 C ATOM 624 O LYS A 38 -4.990 -16.435 -0.693 1.00 0.00 O ATOM 625 CB LYS A 38 -2.897 -18.214 -0.712 1.00 0.00 C ATOM 626 CG LYS A 38 -1.769 -19.176 -0.374 1.00 0.00 C ATOM 627 CD LYS A 38 -0.433 -18.688 -0.907 1.00 0.00 C ATOM 628 CE LYS A 38 0.689 -19.647 -0.546 1.00 0.00 C ATOM 629 NZ LYS A 38 0.492 -20.991 -1.153 1.00 0.00 N ATOM 0 H LYS A 38 -2.620 -17.631 1.706 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.820 -16.363 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.825 -18.590 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.033 -18.193 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.707 -19.297 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.991 -20.158 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.488 -18.581 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.215 -17.701 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.640 -19.234 -0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.748 -19.744 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.371 -21.541 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.275 -21.487 -0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.243 -20.885 -2.157 1.00 0.00 H new ATOM 643 N GLY A 39 -3.704 -14.621 -0.393 1.00 0.00 N ATOM 644 CA GLY A 39 -4.801 -13.702 -0.606 1.00 0.00 C ATOM 645 C GLY A 39 -4.764 -12.537 0.354 1.00 0.00 C ATOM 646 O GLY A 39 -5.798 -11.959 0.679 1.00 0.00 O ATOM 0 H GLY A 39 -2.807 -14.178 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.766 -13.328 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.746 -14.234 -0.493 1.00 0.00 H new ATOM 650 N ALA A 40 -3.568 -12.199 0.818 1.00 0.00 N ATOM 651 CA ALA A 40 -3.392 -11.073 1.715 1.00 0.00 C ATOM 652 C ALA A 40 -2.149 -10.286 1.341 1.00 0.00 C ATOM 653 O ALA A 40 -1.030 -10.654 1.699 1.00 0.00 O ATOM 654 CB ALA A 40 -3.318 -11.532 3.163 1.00 0.00 C ATOM 0 H ALA A 40 -2.706 -12.692 0.585 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.260 -10.422 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.186 -10.667 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.241 -12.048 3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.474 -12.211 3.287 1.00 0.00 H new ATOM 660 N TYR A 41 -2.351 -9.216 0.600 1.00 0.00 N ATOM 661 CA TYR A 41 -1.264 -8.327 0.233 1.00 0.00 C ATOM 662 C TYR A 41 -1.144 -7.238 1.289 1.00 0.00 C ATOM 663 O TYR A 41 -2.009 -7.114 2.152 1.00 0.00 O ATOM 664 CB TYR A 41 -1.508 -7.702 -1.144 1.00 0.00 C ATOM 665 CG TYR A 41 -1.645 -8.711 -2.263 1.00 0.00 C ATOM 666 CD1 TYR A 41 -0.534 -9.137 -2.983 1.00 0.00 C ATOM 667 CD2 TYR A 41 -2.885 -9.229 -2.608 1.00 0.00 C ATOM 668 CE1 TYR A 41 -0.658 -10.049 -4.013 1.00 0.00 C ATOM 669 CE2 TYR A 41 -3.017 -10.144 -3.636 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.899 -10.552 -4.335 1.00 0.00 C ATOM 671 OH TYR A 41 -2.023 -11.462 -5.361 1.00 0.00 O ATOM 0 H TYR A 41 -3.263 -8.938 0.237 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.337 -8.898 0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.414 -7.097 -1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.684 -7.027 -1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.442 -8.748 -2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.762 -8.912 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.215 -10.366 -4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.990 -10.538 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.964 -11.718 -5.459 1.00 0.00 H new ATOM 681 N CYS A 42 -0.083 -6.456 1.238 1.00 0.00 N ATOM 682 CA CYS A 42 0.096 -5.392 2.205 1.00 0.00 C ATOM 683 C CYS A 42 0.378 -4.072 1.502 1.00 0.00 C ATOM 684 O CYS A 42 1.433 -3.886 0.895 1.00 0.00 O ATOM 685 CB CYS A 42 1.227 -5.742 3.176 1.00 0.00 C ATOM 686 SG CYS A 42 1.465 -4.546 4.509 1.00 0.00 S ATOM 0 H CYS A 42 0.661 -6.536 0.545 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.826 -5.282 2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.024 -6.719 3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.157 -5.831 2.614 1.00 0.00 H new ATOM 0 HG CYS A 42 2.282 -3.614 4.115 1.00 0.00 H new ATOM 692 N LEU A 43 -0.585 -3.169 1.575 1.00 0.00 N ATOM 693 CA LEU A 43 -0.421 -1.830 1.044 1.00 0.00 C ATOM 694 C LEU A 43 0.153 -0.964 2.156 1.00 0.00 C ATOM 695 O LEU A 43 -0.579 -0.442 3.001 1.00 0.00 O ATOM 696 CB LEU A 43 -1.773 -1.287 0.537 1.00 0.00 C ATOM 697 CG LEU A 43 -1.738 -0.030 -0.361 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.344 1.210 0.428 1.00 0.00 C ATOM 699 CD2 LEU A 43 -0.795 -0.222 -1.544 1.00 0.00 C ATOM 0 H LEU A 43 -1.495 -3.343 2.001 1.00 0.00 H new ATOM 0 HA LEU A 43 0.258 -1.827 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.271 -2.083 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.394 -1.065 1.405 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.748 0.117 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.330 2.074 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.066 1.378 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.353 1.067 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.792 0.679 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.213 -0.415 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.131 -1.068 -2.144 1.00 0.00 H new ATOM 711 N SER A 44 1.464 -0.855 2.177 1.00 0.00 N ATOM 712 CA SER A 44 2.150 -0.120 3.217 1.00 0.00 C ATOM 713 C SER A 44 2.193 1.362 2.873 1.00 0.00 C ATOM 714 O SER A 44 2.943 1.785 1.990 1.00 0.00 O ATOM 715 CB SER A 44 3.563 -0.671 3.392 1.00 0.00 C ATOM 716 OG SER A 44 3.541 -2.062 3.679 1.00 0.00 O ATOM 0 H SER A 44 2.081 -1.270 1.479 1.00 0.00 H new ATOM 0 HA SER A 44 1.608 -0.238 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.140 -0.494 2.485 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.066 -0.139 4.199 1.00 0.00 H new ATOM 0 HG SER A 44 4.459 -2.389 3.785 1.00 0.00 H new ATOM 722 N VAL A 45 1.372 2.142 3.555 1.00 0.00 N ATOM 723 CA VAL A 45 1.336 3.578 3.343 1.00 0.00 C ATOM 724 C VAL A 45 2.041 4.291 4.493 1.00 0.00 C ATOM 725 O VAL A 45 1.860 3.944 5.662 1.00 0.00 O ATOM 726 CB VAL A 45 -0.118 4.096 3.195 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.935 3.834 4.454 1.00 0.00 C ATOM 728 CG2 VAL A 45 -0.131 5.577 2.839 1.00 0.00 C ATOM 0 H VAL A 45 0.720 1.803 4.262 1.00 0.00 H new ATOM 0 HA VAL A 45 1.858 3.795 2.411 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.584 3.543 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.949 4.210 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.969 2.762 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.473 4.342 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.161 5.918 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.366 6.145 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.394 5.729 1.896 1.00 0.00 H new ATOM 738 N SER A 46 2.871 5.258 4.155 1.00 0.00 N ATOM 739 CA SER A 46 3.604 6.001 5.158 1.00 0.00 C ATOM 740 C SER A 46 2.691 6.998 5.854 1.00 0.00 C ATOM 741 O SER A 46 2.032 7.825 5.216 1.00 0.00 O ATOM 742 CB SER A 46 4.803 6.710 4.530 1.00 0.00 C ATOM 743 OG SER A 46 5.538 7.441 5.494 1.00 0.00 O ATOM 0 H SER A 46 3.054 5.547 3.194 1.00 0.00 H new ATOM 0 HA SER A 46 3.976 5.300 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.454 5.975 4.055 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.458 7.384 3.746 1.00 0.00 H new ATOM 0 HG SER A 46 6.299 7.881 5.061 1.00 0.00 H new ATOM 749 N ASP A 47 2.668 6.894 7.166 1.00 0.00 N ATOM 750 CA ASP A 47 1.839 7.748 8.000 1.00 0.00 C ATOM 751 C ASP A 47 2.718 8.768 8.697 1.00 0.00 C ATOM 752 O ASP A 47 3.765 8.423 9.250 1.00 0.00 O ATOM 753 CB ASP A 47 1.060 6.906 9.016 1.00 0.00 C ATOM 754 CG ASP A 47 0.362 7.738 10.075 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.466 8.597 9.719 1.00 0.00 O ATOM 756 OD2 ASP A 47 0.613 7.509 11.275 1.00 0.00 O ATOM 0 H ASP A 47 3.223 6.215 7.688 1.00 0.00 H new ATOM 0 HA ASP A 47 1.113 8.273 7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.319 6.306 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.744 6.211 9.503 1.00 0.00 H new ATOM 761 N PHE A 48 2.300 10.020 8.664 1.00 0.00 N ATOM 762 CA PHE A 48 3.146 11.100 9.125 1.00 0.00 C ATOM 763 C PHE A 48 2.372 12.173 9.869 1.00 0.00 C ATOM 764 O PHE A 48 1.516 12.857 9.312 1.00 0.00 O ATOM 765 CB PHE A 48 3.896 11.716 7.944 1.00 0.00 C ATOM 766 CG PHE A 48 4.711 12.930 8.300 1.00 0.00 C ATOM 767 CD1 PHE A 48 5.785 12.825 9.166 1.00 0.00 C ATOM 768 CD2 PHE A 48 4.405 14.170 7.765 1.00 0.00 C ATOM 769 CE1 PHE A 48 6.541 13.930 9.494 1.00 0.00 C ATOM 770 CE2 PHE A 48 5.157 15.283 8.089 1.00 0.00 C ATOM 771 CZ PHE A 48 6.227 15.163 8.955 1.00 0.00 C ATOM 0 H PHE A 48 1.383 10.311 8.324 1.00 0.00 H new ATOM 0 HA PHE A 48 3.857 10.672 9.832 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.555 10.962 7.513 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.176 11.988 7.172 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.034 11.864 9.591 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.570 14.268 7.087 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.377 13.832 10.171 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.909 16.245 7.666 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.817 16.031 9.210 1.00 0.00 H new ATOM 781 N ASP A 49 2.682 12.285 11.144 1.00 0.00 N ATOM 782 CA ASP A 49 2.288 13.439 11.935 1.00 0.00 C ATOM 783 C ASP A 49 3.324 14.519 11.727 1.00 0.00 C ATOM 784 O ASP A 49 4.517 14.224 11.659 1.00 0.00 O ATOM 785 CB ASP A 49 2.171 13.083 13.420 1.00 0.00 C ATOM 786 CG ASP A 49 2.286 14.292 14.332 1.00 0.00 C ATOM 787 OD1 ASP A 49 3.425 14.674 14.677 1.00 0.00 O ATOM 788 OD2 ASP A 49 1.239 14.862 14.703 1.00 0.00 O ATOM 0 H ASP A 49 3.212 11.584 11.662 1.00 0.00 H new ATOM 0 HA ASP A 49 1.306 13.787 11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.214 12.592 13.596 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.949 12.365 13.678 1.00 0.00 H new ATOM 793 N ASN A 50 2.867 15.758 11.663 1.00 0.00 N ATOM 794 CA ASN A 50 3.688 16.874 11.182 1.00 0.00 C ATOM 795 C ASN A 50 4.968 17.085 11.992 1.00 0.00 C ATOM 796 O ASN A 50 5.853 17.824 11.559 1.00 0.00 O ATOM 797 CB ASN A 50 2.873 18.166 11.171 1.00 0.00 C ATOM 798 CG ASN A 50 1.751 18.137 10.151 1.00 0.00 C ATOM 799 OD1 ASN A 50 1.949 18.479 8.983 1.00 0.00 O ATOM 800 ND2 ASN A 50 0.564 17.741 10.585 1.00 0.00 N ATOM 0 H ASN A 50 1.922 16.026 11.940 1.00 0.00 H new ATOM 0 HA ASN A 50 3.993 16.609 10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.454 18.336 12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.533 19.006 10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.229 17.711 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.443 17.466 11.560 1.00 0.00 H new ATOM 807 N ALA A 51 5.083 16.453 13.151 1.00 0.00 N ATOM 808 CA ALA A 51 6.262 16.637 13.980 1.00 0.00 C ATOM 809 C ALA A 51 6.885 15.310 14.408 1.00 0.00 C ATOM 810 O ALA A 51 8.069 15.061 14.168 1.00 0.00 O ATOM 811 CB ALA A 51 5.916 17.473 15.202 1.00 0.00 C ATOM 0 H ALA A 51 4.384 15.817 13.534 1.00 0.00 H new ATOM 0 HA ALA A 51 7.004 17.161 13.377 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.806 17.605 15.817 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.547 18.448 14.883 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.146 16.966 15.783 1.00 0.00 H new ATOM 817 N LYS A 52 6.083 14.448 15.015 1.00 0.00 N ATOM 818 CA LYS A 52 6.619 13.293 15.730 1.00 0.00 C ATOM 819 C LYS A 52 6.161 11.967 15.133 1.00 0.00 C ATOM 820 O LYS A 52 6.695 10.914 15.478 1.00 0.00 O ATOM 821 CB LYS A 52 6.157 13.351 17.189 1.00 0.00 C ATOM 822 CG LYS A 52 6.423 14.681 17.866 1.00 0.00 C ATOM 823 CD LYS A 52 5.481 14.899 19.037 1.00 0.00 C ATOM 824 CE LYS A 52 5.736 16.234 19.710 1.00 0.00 C ATOM 825 NZ LYS A 52 4.661 16.585 20.673 1.00 0.00 N ATOM 0 H LYS A 52 5.066 14.523 15.029 1.00 0.00 H new ATOM 0 HA LYS A 52 7.705 13.339 15.650 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.088 13.141 17.230 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.658 12.562 17.750 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.455 14.714 18.215 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.304 15.489 17.145 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.449 14.856 18.689 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.606 14.094 19.762 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.693 16.201 20.231 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.813 17.014 18.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.874 17.504 21.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.751 16.642 20.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.604 15.855 21.411 1.00 0.00 H new ATOM 839 N GLY A 53 5.195 12.012 14.234 1.00 0.00 N ATOM 840 CA GLY A 53 4.466 10.804 13.898 1.00 0.00 C ATOM 841 C GLY A 53 4.861 10.150 12.593 1.00 0.00 C ATOM 842 O GLY A 53 4.016 9.965 11.725 1.00 0.00 O ATOM 0 H GLY A 53 4.902 12.851 13.734 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.603 10.082 14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.403 11.041 13.859 1.00 0.00 H new ATOM 846 N LEU A 54 6.118 9.780 12.443 1.00 0.00 N ATOM 847 CA LEU A 54 6.522 8.993 11.288 1.00 0.00 C ATOM 848 C LEU A 54 6.415 7.508 11.591 1.00 0.00 C ATOM 849 O LEU A 54 6.890 7.043 12.630 1.00 0.00 O ATOM 850 CB LEU A 54 7.949 9.312 10.862 1.00 0.00 C ATOM 851 CG LEU A 54 8.094 10.447 9.848 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.553 10.833 9.685 1.00 0.00 C ATOM 853 CD2 LEU A 54 7.505 10.030 8.507 1.00 0.00 C ATOM 0 H LEU A 54 6.870 10.006 13.094 1.00 0.00 H new ATOM 0 HA LEU A 54 5.848 9.253 10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.527 9.566 11.751 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.394 8.411 10.439 1.00 0.00 H new ATOM 0 HG LEU A 54 7.548 11.315 10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.636 11.642 8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.951 11.163 10.644 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.120 9.971 9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.614 10.846 7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.031 9.150 8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.448 9.795 8.631 1.00 0.00 H new ATOM 865 N ASN A 55 5.787 6.775 10.688 1.00 0.00 N ATOM 866 CA ASN A 55 5.649 5.327 10.814 1.00 0.00 C ATOM 867 C ASN A 55 4.972 4.773 9.572 1.00 0.00 C ATOM 868 O ASN A 55 4.436 5.529 8.763 1.00 0.00 O ATOM 869 CB ASN A 55 4.844 4.929 12.069 1.00 0.00 C ATOM 870 CG ASN A 55 3.384 5.352 12.023 1.00 0.00 C ATOM 871 OD1 ASN A 55 2.504 4.637 12.506 1.00 0.00 O ATOM 872 ND2 ASN A 55 3.116 6.522 11.471 1.00 0.00 N ATOM 0 H ASN A 55 5.358 7.162 9.847 1.00 0.00 H new ATOM 0 HA ASN A 55 6.648 4.904 10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.895 3.847 12.194 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.314 5.374 12.946 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.154 6.861 11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.871 7.087 11.081 1.00 0.00 H new ATOM 879 N VAL A 56 5.014 3.462 9.411 1.00 0.00 N ATOM 880 CA VAL A 56 4.366 2.820 8.279 1.00 0.00 C ATOM 881 C VAL A 56 3.059 2.174 8.719 1.00 0.00 C ATOM 882 O VAL A 56 3.035 1.376 9.656 1.00 0.00 O ATOM 883 CB VAL A 56 5.269 1.753 7.630 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.605 1.176 6.391 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.626 2.339 7.283 1.00 0.00 C ATOM 0 H VAL A 56 5.489 2.822 10.048 1.00 0.00 H new ATOM 0 HA VAL A 56 4.167 3.594 7.538 1.00 0.00 H new ATOM 0 HB VAL A 56 5.418 0.947 8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.257 0.424 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.656 0.716 6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.425 1.973 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.248 1.570 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.498 3.165 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.108 2.704 8.190 1.00 0.00 H new ATOM 895 N LYS A 57 1.977 2.534 8.051 1.00 0.00 N ATOM 896 CA LYS A 57 0.671 1.997 8.368 1.00 0.00 C ATOM 897 C LYS A 57 0.330 0.872 7.393 1.00 0.00 C ATOM 898 O LYS A 57 -0.046 1.118 6.244 1.00 0.00 O ATOM 899 CB LYS A 57 -0.372 3.117 8.313 1.00 0.00 C ATOM 900 CG LYS A 57 -1.743 2.709 8.818 1.00 0.00 C ATOM 901 CD LYS A 57 -2.700 3.889 8.828 1.00 0.00 C ATOM 902 CE LYS A 57 -2.236 4.992 9.771 1.00 0.00 C ATOM 903 NZ LYS A 57 -2.210 4.541 11.189 1.00 0.00 N ATOM 0 H LYS A 57 1.981 3.202 7.280 1.00 0.00 H new ATOM 0 HA LYS A 57 0.673 1.584 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.015 3.961 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.464 3.464 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.145 1.917 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.656 2.300 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.792 4.290 7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.691 3.549 9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.240 5.324 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.899 5.852 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.038 5.357 11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.124 4.108 11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.450 3.842 11.317 1.00 0.00 H new ATOM 917 N HIS A 58 0.488 -0.360 7.857 1.00 0.00 N ATOM 918 CA HIS A 58 0.321 -1.537 7.009 1.00 0.00 C ATOM 919 C HIS A 58 -1.147 -1.918 6.873 1.00 0.00 C ATOM 920 O HIS A 58 -1.739 -2.478 7.797 1.00 0.00 O ATOM 921 CB HIS A 58 1.105 -2.728 7.580 1.00 0.00 C ATOM 922 CG HIS A 58 2.600 -2.560 7.559 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.427 -3.538 7.055 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.356 -1.530 8.002 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.658 -3.077 7.204 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.667 -1.866 7.769 1.00 0.00 N ATOM 0 H HIS A 58 0.734 -0.573 8.824 1.00 0.00 H new ATOM 0 HA HIS A 58 0.709 -1.286 6.022 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.786 -2.897 8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.845 -3.623 7.014 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.149 -4.432 6.651 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.997 -0.617 8.453 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.547 -3.613 6.906 1.00 0.00 H new ATOM 934 N TYR A 59 -1.729 -1.606 5.725 1.00 0.00 N ATOM 935 CA TYR A 59 -3.083 -2.046 5.407 1.00 0.00 C ATOM 936 C TYR A 59 -3.035 -3.379 4.673 1.00 0.00 C ATOM 937 O TYR A 59 -2.209 -3.573 3.779 1.00 0.00 O ATOM 938 CB TYR A 59 -3.811 -1.015 4.542 1.00 0.00 C ATOM 939 CG TYR A 59 -4.311 0.199 5.295 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.499 0.149 6.011 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.612 1.396 5.267 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.976 1.258 6.682 1.00 0.00 C ATOM 943 CE2 TYR A 59 -4.083 2.511 5.932 1.00 0.00 C ATOM 944 CZ TYR A 59 -5.265 2.437 6.638 1.00 0.00 C ATOM 945 OH TYR A 59 -5.743 3.554 7.293 1.00 0.00 O ATOM 0 H TYR A 59 -1.285 -1.049 4.995 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.629 -2.159 6.343 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.138 -0.684 3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.658 -1.500 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.060 -0.773 6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.685 1.457 4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.900 1.201 7.238 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.528 3.437 5.899 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.676 3.419 8.261 1.00 0.00 H new ATOM 955 N LYS A 60 -3.912 -4.297 5.043 1.00 0.00 N ATOM 956 CA LYS A 60 -3.941 -5.605 4.409 1.00 0.00 C ATOM 957 C LYS A 60 -4.936 -5.630 3.258 1.00 0.00 C ATOM 958 O LYS A 60 -6.100 -5.258 3.413 1.00 0.00 O ATOM 959 CB LYS A 60 -4.283 -6.699 5.425 1.00 0.00 C ATOM 960 CG LYS A 60 -3.174 -6.981 6.429 1.00 0.00 C ATOM 961 CD LYS A 60 -1.903 -7.465 5.743 1.00 0.00 C ATOM 962 CE LYS A 60 -0.882 -7.987 6.749 1.00 0.00 C ATOM 963 NZ LYS A 60 -0.408 -6.924 7.681 1.00 0.00 N ATOM 0 H LYS A 60 -4.610 -4.163 5.775 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.946 -5.801 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.184 -6.409 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.516 -7.619 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.959 -6.076 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.511 -7.733 7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.151 -8.254 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.465 -6.648 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.326 -8.800 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.029 -8.404 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.284 -7.327 8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.040 -6.159 7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.216 -6.543 8.213 1.00 0.00 H new ATOM 977 N ILE A 61 -4.464 -6.060 2.100 1.00 0.00 N ATOM 978 CA ILE A 61 -5.308 -6.194 0.928 1.00 0.00 C ATOM 979 C ILE A 61 -5.838 -7.616 0.852 1.00 0.00 C ATOM 980 O ILE A 61 -5.127 -8.541 0.454 1.00 0.00 O ATOM 981 CB ILE A 61 -4.549 -5.856 -0.373 1.00 0.00 C ATOM 982 CG1 ILE A 61 -3.955 -4.446 -0.299 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.473 -5.991 -1.578 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.179 -4.043 -1.537 1.00 0.00 C ATOM 0 H ILE A 61 -3.491 -6.324 1.948 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.131 -5.485 1.024 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.729 -6.564 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.761 -3.730 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.296 -4.384 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.923 -5.749 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.844 -7.014 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.314 -5.306 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.789 -3.033 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.351 -4.735 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.838 -4.071 -2.405 1.00 0.00 H new ATOM 996 N ARG A 62 -7.081 -7.782 1.259 1.00 0.00 N ATOM 997 CA ARG A 62 -7.685 -9.097 1.345 1.00 0.00 C ATOM 998 C ARG A 62 -8.348 -9.474 0.031 1.00 0.00 C ATOM 999 O ARG A 62 -8.926 -8.628 -0.652 1.00 0.00 O ATOM 1000 CB ARG A 62 -8.705 -9.127 2.478 1.00 0.00 C ATOM 1001 CG ARG A 62 -8.112 -8.774 3.832 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.185 -9.945 4.795 1.00 0.00 C ATOM 1003 NE ARG A 62 -7.628 -11.171 4.224 1.00 0.00 N ATOM 1004 CZ ARG A 62 -6.940 -12.069 4.924 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -6.632 -11.833 6.192 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -6.542 -13.193 4.343 1.00 0.00 N ATOM 0 H ARG A 62 -7.696 -7.017 1.537 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.901 -9.825 1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.511 -8.430 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.149 -10.121 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.073 -8.469 3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.646 -7.922 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.646 -9.695 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.224 -10.117 5.075 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.776 -11.348 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.923 -10.961 6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.104 -12.524 6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.764 -13.367 3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.014 -13.884 4.877 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.251 -10.741 -0.322 1.00 0.00 N ATOM 1021 CA LYS A 63 -8.844 -11.242 -1.541 1.00 0.00 C ATOM 1022 C LYS A 63 -10.047 -12.120 -1.230 1.00 0.00 C ATOM 1023 O LYS A 63 -9.967 -13.038 -0.410 1.00 0.00 O ATOM 1024 CB LYS A 63 -7.798 -12.013 -2.345 1.00 0.00 C ATOM 1025 CG LYS A 63 -8.373 -12.814 -3.496 1.00 0.00 C ATOM 1026 CD LYS A 63 -7.280 -13.420 -4.370 1.00 0.00 C ATOM 1027 CE LYS A 63 -6.425 -14.423 -3.605 1.00 0.00 C ATOM 1028 NZ LYS A 63 -7.186 -15.643 -3.226 1.00 0.00 N ATOM 0 H LYS A 63 -7.761 -11.447 0.227 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.193 -10.400 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.064 -11.309 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.266 -12.689 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.007 -13.609 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.009 -12.171 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.735 -13.913 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.644 -12.624 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.569 -14.707 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.031 -13.950 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.537 -16.343 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.915 -15.394 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.639 -16.046 -4.071 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.162 -11.819 -1.876 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.382 -12.576 -1.702 1.00 0.00 C ATOM 1044 C LEU A 64 -12.306 -13.902 -2.439 1.00 0.00 C ATOM 1045 O LEU A 64 -11.621 -14.000 -3.459 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.578 -11.773 -2.210 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.018 -10.616 -1.314 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.128 -9.827 -1.986 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.483 -11.133 0.039 1.00 0.00 C ATOM 0 H LEU A 64 -11.242 -11.044 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.507 -12.776 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.335 -11.375 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.421 -12.451 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.164 -9.957 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.434 -9.005 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.768 -9.427 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.980 -10.481 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.792 -10.294 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.325 -11.811 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.666 -11.665 0.526 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.005 -14.908 -1.932 1.00 0.00 N ATOM 1062 CA ASP A 65 -12.969 -16.244 -2.522 1.00 0.00 C ATOM 1063 C ASP A 65 -13.289 -16.203 -4.013 1.00 0.00 C ATOM 1064 O ASP A 65 -12.506 -16.663 -4.843 1.00 0.00 O ATOM 1065 CB ASP A 65 -13.960 -17.161 -1.812 1.00 0.00 C ATOM 1066 CG ASP A 65 -13.882 -18.587 -2.311 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -13.019 -19.342 -1.820 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -14.694 -18.965 -3.179 1.00 0.00 O ATOM 0 H ASP A 65 -13.606 -14.827 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.958 -16.633 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.765 -17.142 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.971 -16.782 -1.958 1.00 0.00 H new ATOM 1073 N SER A 66 -14.429 -15.618 -4.342 1.00 0.00 N ATOM 1074 CA SER A 66 -14.880 -15.544 -5.721 1.00 0.00 C ATOM 1075 C SER A 66 -15.271 -14.113 -6.071 1.00 0.00 C ATOM 1076 O SER A 66 -16.328 -13.864 -6.655 1.00 0.00 O ATOM 1077 CB SER A 66 -16.064 -16.495 -5.929 1.00 0.00 C ATOM 1078 OG SER A 66 -15.709 -17.830 -5.601 1.00 0.00 O ATOM 0 H SER A 66 -15.061 -15.186 -3.669 1.00 0.00 H new ATOM 0 HA SER A 66 -14.067 -15.847 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.904 -16.176 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.395 -16.448 -6.966 1.00 0.00 H new ATOM 0 HG SER A 66 -15.468 -17.881 -4.652 1.00 0.00 H new ATOM 1084 N GLY A 67 -14.418 -13.171 -5.682 1.00 0.00 N ATOM 1085 CA GLY A 67 -14.666 -11.774 -5.970 1.00 0.00 C ATOM 1086 C GLY A 67 -13.407 -11.044 -6.391 1.00 0.00 C ATOM 1087 O GLY A 67 -12.897 -11.253 -7.493 1.00 0.00 O ATOM 0 H GLY A 67 -13.555 -13.354 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.412 -11.695 -6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.086 -11.292 -5.087 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.892 -10.203 -5.506 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.722 -9.415 -5.832 1.00 0.00 C ATOM 1093 C GLY A 68 -10.907 -9.045 -4.613 1.00 0.00 C ATOM 1094 O GLY A 68 -10.906 -9.767 -3.616 1.00 0.00 O ATOM 0 H GLY A 68 -13.264 -10.052 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.095 -9.974 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.034 -8.505 -6.345 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.225 -7.914 -4.692 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.343 -7.463 -3.627 1.00 0.00 C ATOM 1100 C PHE A 69 -9.935 -6.242 -2.935 1.00 0.00 C ATOM 1101 O PHE A 69 -10.527 -5.376 -3.585 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.966 -7.106 -4.193 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.362 -8.177 -5.055 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.640 -9.216 -4.493 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.516 -8.140 -6.432 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -6.082 -10.198 -5.287 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.962 -9.121 -7.231 1.00 0.00 C ATOM 1108 CZ PHE A 69 -6.243 -10.151 -6.657 1.00 0.00 C ATOM 0 H PHE A 69 -10.267 -7.284 -5.493 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.236 -8.272 -2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.051 -6.190 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.288 -6.895 -3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.512 -9.259 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.075 -7.335 -6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.520 -11.003 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.091 -9.083 -8.303 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.807 -10.919 -7.279 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.779 -6.170 -1.622 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.275 -5.035 -0.861 1.00 0.00 C ATOM 1120 C TYR A 70 -9.375 -4.746 0.334 1.00 0.00 C ATOM 1121 O TYR A 70 -8.910 -5.659 1.017 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.715 -5.285 -0.388 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.877 -6.424 0.600 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.994 -7.742 0.171 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.921 -6.176 1.967 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -12.150 -8.775 1.077 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.076 -7.204 2.876 1.00 0.00 C ATOM 1128 CZ TYR A 70 -12.189 -8.502 2.427 1.00 0.00 C ATOM 1129 OH TYR A 70 -12.341 -9.530 3.331 1.00 0.00 O ATOM 0 H TYR A 70 -9.313 -6.884 -1.062 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.269 -4.165 -1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.095 -4.371 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.337 -5.489 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.963 -7.962 -0.886 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.832 -5.161 2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.241 -9.793 0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.109 -6.992 3.934 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.347 -9.167 4.241 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.113 -3.467 0.563 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.409 -3.035 1.763 1.00 0.00 C ATOM 1141 C ILE A 71 -9.416 -2.883 2.897 1.00 0.00 C ATOM 1142 O ILE A 71 -9.248 -3.436 3.983 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.670 -1.696 1.537 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.596 -1.860 0.456 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.056 -1.198 2.836 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.853 -0.579 0.138 1.00 0.00 C ATOM 0 H ILE A 71 -9.377 -2.709 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.661 -3.786 2.017 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.391 -0.953 1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.879 -2.615 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.064 -2.234 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.540 -0.255 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.842 -1.047 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.345 -1.935 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.109 -0.772 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.559 0.172 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.356 -0.214 1.037 1.00 0.00 H new ATOM 1158 N THR A 72 -10.462 -2.123 2.622 1.00 0.00 N ATOM 1159 CA THR A 72 -11.602 -2.026 3.515 1.00 0.00 C ATOM 1160 C THR A 72 -12.745 -2.852 2.934 1.00 0.00 C ATOM 1161 O THR A 72 -12.884 -2.950 1.712 1.00 0.00 O ATOM 1162 CB THR A 72 -12.043 -0.554 3.716 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.269 -0.494 4.458 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.212 0.155 2.380 1.00 0.00 C ATOM 0 H THR A 72 -10.544 -1.558 1.777 1.00 0.00 H new ATOM 0 HA THR A 72 -11.321 -2.412 4.495 1.00 0.00 H new ATOM 0 HB THR A 72 -11.260 -0.046 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.533 0.442 4.578 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.522 1.186 2.552 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.265 0.146 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.971 -0.358 1.789 1.00 0.00 H new ATOM 1172 N SER A 73 -13.556 -3.447 3.794 1.00 0.00 N ATOM 1173 CA SER A 73 -14.592 -4.371 3.353 1.00 0.00 C ATOM 1174 C SER A 73 -15.836 -3.615 2.877 1.00 0.00 C ATOM 1175 O SER A 73 -16.963 -3.936 3.257 1.00 0.00 O ATOM 1176 CB SER A 73 -14.941 -5.342 4.488 1.00 0.00 C ATOM 1177 OG SER A 73 -15.749 -6.413 4.025 1.00 0.00 O ATOM 0 H SER A 73 -13.518 -3.307 4.804 1.00 0.00 H new ATOM 0 HA SER A 73 -14.212 -4.943 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.024 -5.739 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.464 -4.806 5.279 1.00 0.00 H new ATOM 0 HG SER A 73 -16.562 -6.054 3.611 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.619 -2.610 2.039 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.709 -1.821 1.486 1.00 0.00 C ATOM 1185 C ARG A 74 -16.491 -1.609 -0.005 1.00 0.00 C ATOM 1186 O ARG A 74 -17.324 -1.985 -0.828 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.818 -0.467 2.195 1.00 0.00 C ATOM 1188 CG ARG A 74 -16.987 -0.574 3.700 1.00 0.00 C ATOM 1189 CD ARG A 74 -17.343 0.765 4.317 1.00 0.00 C ATOM 1190 NE ARG A 74 -18.692 1.194 3.948 1.00 0.00 N ATOM 1191 CZ ARG A 74 -19.206 2.380 4.274 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -18.462 3.281 4.898 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -20.460 2.675 3.960 1.00 0.00 N ATOM 0 H ARG A 74 -14.692 -2.322 1.727 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.640 -2.366 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.924 0.118 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.665 0.082 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.767 -1.300 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.064 -0.947 4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.268 0.696 5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.622 1.516 3.995 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.272 0.549 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.492 3.069 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.859 4.187 5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.036 1.993 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.848 3.584 4.212 1.00 0.00 H new ATOM 1207 N THR A 75 -15.357 -1.019 -0.344 1.00 0.00 N ATOM 1208 CA THR A 75 -15.008 -0.782 -1.732 1.00 0.00 C ATOM 1209 C THR A 75 -13.933 -1.768 -2.182 1.00 0.00 C ATOM 1210 O THR A 75 -12.818 -1.778 -1.659 1.00 0.00 O ATOM 1211 CB THR A 75 -14.533 0.669 -1.930 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.520 1.561 -1.400 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.307 0.984 -3.400 1.00 0.00 C ATOM 0 H THR A 75 -14.661 -0.695 0.327 1.00 0.00 H new ATOM 0 HA THR A 75 -15.896 -0.935 -2.345 1.00 0.00 H new ATOM 0 HB THR A 75 -13.585 0.795 -1.407 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.300 1.777 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.972 2.016 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.548 0.314 -3.803 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.239 0.848 -3.949 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.281 -2.603 -3.147 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.401 -3.676 -3.584 1.00 0.00 C ATOM 1223 C GLN A 76 -13.317 -3.737 -5.103 1.00 0.00 C ATOM 1224 O GLN A 76 -14.274 -3.402 -5.801 1.00 0.00 O ATOM 1225 CB GLN A 76 -13.895 -5.005 -3.007 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.386 -5.244 -3.200 1.00 0.00 C ATOM 1227 CD GLN A 76 -15.940 -6.293 -2.255 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -16.889 -7.001 -2.585 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -15.359 -6.389 -1.067 1.00 0.00 N ATOM 0 H GLN A 76 -15.170 -2.559 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.395 -3.479 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.343 -5.820 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.667 -5.035 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -15.922 -4.307 -3.050 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.569 -5.555 -4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.573 -5.782 -0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.698 -7.070 -0.387 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.160 -4.158 -5.601 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.917 -4.237 -7.039 1.00 0.00 C ATOM 1240 C PHE A 77 -11.317 -5.589 -7.396 1.00 0.00 C ATOM 1241 O PHE A 77 -10.511 -6.132 -6.646 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.968 -3.119 -7.484 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.502 -1.736 -7.235 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.413 -1.165 -8.106 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.082 -1.006 -6.135 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.901 0.108 -7.883 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.568 0.267 -5.906 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.478 0.825 -6.782 1.00 0.00 C ATOM 0 H PHE A 77 -11.370 -4.452 -5.027 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.869 -4.119 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.018 -3.231 -6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.761 -3.233 -8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.746 -1.721 -8.970 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.367 -1.436 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.613 0.542 -8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.237 0.825 -5.043 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.858 1.820 -6.606 1.00 0.00 H new ATOM 1258 N SER A 78 -11.703 -6.122 -8.547 1.00 0.00 N ATOM 1259 CA SER A 78 -11.260 -7.445 -8.970 1.00 0.00 C ATOM 1260 C SER A 78 -9.809 -7.431 -9.464 1.00 0.00 C ATOM 1261 O SER A 78 -9.234 -8.483 -9.756 1.00 0.00 O ATOM 1262 CB SER A 78 -12.195 -7.976 -10.059 1.00 0.00 C ATOM 1263 OG SER A 78 -13.546 -7.938 -9.622 1.00 0.00 O ATOM 0 H SER A 78 -12.325 -5.657 -9.208 1.00 0.00 H new ATOM 0 HA SER A 78 -11.297 -8.107 -8.105 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.083 -7.379 -10.964 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.919 -8.999 -10.316 1.00 0.00 H new ATOM 0 HG SER A 78 -14.129 -8.280 -10.332 1.00 0.00 H new ATOM 1269 N SER A 79 -9.219 -6.242 -9.536 1.00 0.00 N ATOM 1270 CA SER A 79 -7.841 -6.092 -9.982 1.00 0.00 C ATOM 1271 C SER A 79 -7.130 -5.029 -9.151 1.00 0.00 C ATOM 1272 O SER A 79 -7.734 -4.028 -8.757 1.00 0.00 O ATOM 1273 CB SER A 79 -7.812 -5.717 -11.465 1.00 0.00 C ATOM 1274 OG SER A 79 -8.408 -6.728 -12.261 1.00 0.00 O ATOM 0 H SER A 79 -9.678 -5.365 -9.289 1.00 0.00 H new ATOM 0 HA SER A 79 -7.320 -7.040 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.339 -4.775 -11.615 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.781 -5.560 -11.783 1.00 0.00 H new ATOM 0 HG SER A 79 -8.378 -6.462 -13.204 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.843 -5.263 -8.890 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.040 -4.386 -8.037 1.00 0.00 C ATOM 1282 C LEU A 80 -4.799 -3.025 -8.679 1.00 0.00 C ATOM 1283 O LEU A 80 -4.591 -2.037 -7.977 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.694 -5.039 -7.703 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.754 -6.242 -6.759 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.357 -6.806 -6.530 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.396 -5.845 -5.437 1.00 0.00 C ATOM 0 H LEU A 80 -5.330 -6.062 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.609 -4.232 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.224 -5.355 -8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.046 -4.284 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.366 -7.017 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.416 -7.661 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.932 -7.123 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.723 -6.038 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.432 -6.711 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.808 -5.055 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.409 -5.484 -5.618 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.807 -2.976 -10.010 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.631 -1.718 -10.732 1.00 0.00 C ATOM 1301 C GLN A 81 -5.730 -0.733 -10.329 1.00 0.00 C ATOM 1302 O GLN A 81 -5.451 0.382 -9.890 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.670 -1.963 -12.245 1.00 0.00 C ATOM 1304 CG GLN A 81 -3.713 -1.091 -13.054 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.873 0.392 -12.787 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -4.683 1.071 -13.420 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.081 0.913 -11.863 1.00 0.00 N ATOM 0 H GLN A 81 -4.933 -3.792 -10.609 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.660 -1.295 -10.474 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.437 -3.010 -12.437 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.686 -1.792 -12.602 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.688 -1.384 -12.828 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.872 -1.280 -14.116 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.423 0.317 -11.360 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.129 1.910 -11.654 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.980 -1.174 -10.463 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.137 -0.368 -10.079 1.00 0.00 C ATOM 1318 C GLN A 82 -8.089 0.001 -8.601 1.00 0.00 C ATOM 1319 O GLN A 82 -8.529 1.080 -8.211 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.434 -1.122 -10.387 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.758 -1.184 -11.868 1.00 0.00 C ATOM 1322 CD GLN A 82 -10.939 -2.082 -12.170 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -12.088 -1.640 -12.174 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -10.666 -3.348 -12.444 1.00 0.00 N ATOM 0 H GLN A 82 -7.218 -2.092 -10.838 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.110 0.554 -10.660 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.357 -2.137 -9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.259 -0.640 -9.862 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.969 -0.178 -12.232 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.885 -1.544 -12.412 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.700 -3.676 -12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.421 -3.995 -12.669 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.542 -0.901 -7.791 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.428 -0.688 -6.353 1.00 0.00 C ATOM 1335 C LEU A 83 -6.618 0.577 -6.062 1.00 0.00 C ATOM 1336 O LEU A 83 -7.147 1.558 -5.542 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.786 -1.930 -5.703 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.687 -1.955 -4.166 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.533 -1.091 -3.671 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.998 -1.507 -3.536 1.00 0.00 C ATOM 0 H LEU A 83 -7.168 -1.794 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.420 -0.545 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.353 -2.806 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.780 -2.039 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.490 -2.983 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.490 -1.130 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.596 -1.464 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.686 -0.061 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.907 -1.532 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.228 -0.491 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.799 -2.177 -3.848 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.344 0.557 -6.423 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.444 1.666 -6.115 1.00 0.00 C ATOM 1354 C VAL A 84 -4.849 2.949 -6.835 1.00 0.00 C ATOM 1355 O VAL A 84 -4.872 4.024 -6.235 1.00 0.00 O ATOM 1356 CB VAL A 84 -2.980 1.333 -6.464 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.329 0.540 -5.343 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -2.894 0.561 -7.765 1.00 0.00 C ATOM 0 H VAL A 84 -4.907 -0.213 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.525 1.825 -5.040 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.444 2.274 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.296 0.315 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.348 1.126 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.876 -0.391 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.850 0.339 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.452 -0.371 -7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.318 1.159 -8.572 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.169 2.824 -8.115 1.00 0.00 N ATOM 1369 CA ALA A 85 -5.535 3.971 -8.945 1.00 0.00 C ATOM 1370 C ALA A 85 -6.724 4.737 -8.371 1.00 0.00 C ATOM 1371 O ALA A 85 -6.716 5.969 -8.328 1.00 0.00 O ATOM 1372 CB ALA A 85 -5.839 3.521 -10.366 1.00 0.00 C ATOM 0 H ALA A 85 -5.183 1.932 -8.609 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.681 4.649 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.110 4.386 -10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.958 3.041 -10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.668 2.813 -10.354 1.00 0.00 H new ATOM 1378 N TYR A 86 -7.740 4.012 -7.919 1.00 0.00 N ATOM 1379 CA TYR A 86 -8.947 4.640 -7.400 1.00 0.00 C ATOM 1380 C TYR A 86 -8.700 5.191 -6.000 1.00 0.00 C ATOM 1381 O TYR A 86 -9.203 6.260 -5.643 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.098 3.629 -7.381 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.477 4.248 -7.473 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -11.962 4.711 -8.688 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.301 4.350 -6.357 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.224 5.258 -8.793 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.566 4.901 -6.453 1.00 0.00 C ATOM 1388 CZ TYR A 86 -14.022 5.353 -7.674 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.282 5.896 -7.779 1.00 0.00 O ATOM 0 H TYR A 86 -7.752 2.992 -7.902 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.219 5.469 -8.053 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.969 2.934 -8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.036 3.044 -6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.340 4.642 -9.568 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.948 3.993 -5.401 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.585 5.610 -9.748 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.193 4.977 -5.577 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.715 5.889 -6.900 1.00 0.00 H new ATOM 1399 N TYR A 87 -7.895 4.473 -5.220 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.591 4.872 -3.849 1.00 0.00 C ATOM 1401 C TYR A 87 -6.522 5.961 -3.796 1.00 0.00 C ATOM 1402 O TYR A 87 -6.137 6.418 -2.718 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.157 3.663 -3.016 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.310 2.818 -2.514 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.217 2.230 -3.388 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.489 2.612 -1.156 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.269 1.463 -2.918 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.535 1.849 -0.679 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.420 1.277 -1.560 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.463 0.520 -1.079 1.00 0.00 O ATOM 0 H TYR A 87 -7.440 3.609 -5.516 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.506 5.285 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.496 3.038 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.576 4.012 -2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.099 2.374 -4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.796 3.057 -0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.966 1.014 -3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.657 1.702 0.384 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.602 -0.255 -1.663 1.00 0.00 H new ATOM 1420 N SER A 88 -6.041 6.378 -4.962 1.00 0.00 N ATOM 1421 CA SER A 88 -5.119 7.501 -5.038 1.00 0.00 C ATOM 1422 C SER A 88 -5.846 8.783 -4.646 1.00 0.00 C ATOM 1423 O SER A 88 -5.254 9.719 -4.106 1.00 0.00 O ATOM 1424 CB SER A 88 -4.545 7.634 -6.450 1.00 0.00 C ATOM 1425 OG SER A 88 -3.861 6.453 -6.841 1.00 0.00 O ATOM 0 H SER A 88 -6.273 5.957 -5.862 1.00 0.00 H new ATOM 0 HA SER A 88 -4.293 7.326 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.351 7.841 -7.155 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.862 8.483 -6.489 1.00 0.00 H new ATOM 0 HG SER A 88 -4.373 5.668 -6.554 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.142 8.803 -4.916 1.00 0.00 N ATOM 1432 CA LYS A 89 -7.982 9.935 -4.578 1.00 0.00 C ATOM 1433 C LYS A 89 -9.023 9.521 -3.547 1.00 0.00 C ATOM 1434 O LYS A 89 -9.271 10.231 -2.573 1.00 0.00 O ATOM 1435 CB LYS A 89 -8.671 10.475 -5.833 1.00 0.00 C ATOM 1436 CG LYS A 89 -7.699 10.932 -6.908 1.00 0.00 C ATOM 1437 CD LYS A 89 -8.426 11.484 -8.122 1.00 0.00 C ATOM 1438 CE LYS A 89 -7.450 11.906 -9.208 1.00 0.00 C ATOM 1439 NZ LYS A 89 -8.133 12.592 -10.338 1.00 0.00 N ATOM 0 H LYS A 89 -7.637 8.037 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.358 10.722 -4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.318 9.700 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.312 11.311 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.038 11.697 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.070 10.095 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.106 10.729 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.035 12.338 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.699 12.571 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.923 11.028 -9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.430 12.862 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.832 11.950 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.615 13.444 -9.987 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.611 8.352 -3.762 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.648 7.840 -2.883 1.00 0.00 C ATOM 1455 C HIS A 90 -10.045 6.909 -1.841 1.00 0.00 C ATOM 1456 O HIS A 90 -9.917 5.711 -2.076 1.00 0.00 O ATOM 1457 CB HIS A 90 -11.707 7.086 -3.693 1.00 0.00 C ATOM 1458 CG HIS A 90 -12.391 7.918 -4.733 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -11.934 8.035 -6.030 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.510 8.675 -4.664 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -12.746 8.823 -6.709 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -13.710 9.224 -5.905 1.00 0.00 N ATOM 0 H HIS A 90 -9.384 7.738 -4.544 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.118 8.684 -2.378 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.236 6.232 -4.179 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.458 6.690 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -14.131 8.820 -3.793 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.639 9.094 -7.749 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -14.479 9.842 -6.163 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.665 7.468 -0.701 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.115 6.673 0.391 1.00 0.00 C ATOM 1473 C ALA A 91 -10.179 5.740 0.949 1.00 0.00 C ATOM 1474 O ALA A 91 -9.885 4.613 1.348 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.573 7.575 1.484 1.00 0.00 C ATOM 0 H ALA A 91 -9.727 8.467 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.293 6.071 0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.167 6.965 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.785 8.208 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.377 8.200 1.872 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.412 6.243 0.961 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.601 5.487 1.361 1.00 0.00 C ATOM 1483 C ASP A 92 -12.499 4.983 2.802 1.00 0.00 C ATOM 1484 O ASP A 92 -13.002 5.629 3.726 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.854 4.324 0.395 1.00 0.00 C ATOM 1486 CG ASP A 92 -14.315 3.934 0.340 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -15.122 4.733 -0.187 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.663 2.829 0.804 1.00 0.00 O ATOM 0 H ASP A 92 -11.618 7.204 0.689 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.451 6.168 1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.516 4.603 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.261 3.463 0.703 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.844 3.845 2.989 1.00 0.00 N ATOM 1494 CA GLY A 93 -11.678 3.286 4.316 1.00 0.00 C ATOM 1495 C GLY A 93 -10.398 3.759 4.975 1.00 0.00 C ATOM 1496 O GLY A 93 -10.388 4.088 6.161 1.00 0.00 O ATOM 0 H GLY A 93 -11.422 3.296 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.530 3.565 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.673 2.198 4.253 1.00 0.00 H new ATOM 1500 N LEU A 94 -9.314 3.785 4.202 1.00 0.00 N ATOM 1501 CA LEU A 94 -8.024 4.265 4.677 1.00 0.00 C ATOM 1502 C LEU A 94 -8.110 5.723 5.107 1.00 0.00 C ATOM 1503 O LEU A 94 -8.955 6.479 4.625 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.962 4.133 3.575 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.690 2.713 3.073 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.775 2.244 2.121 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -5.324 2.642 2.402 1.00 0.00 C ATOM 0 H LEU A 94 -9.308 3.474 3.231 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.741 3.654 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.269 4.745 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.027 4.551 3.947 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.695 2.046 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.551 1.232 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.737 2.251 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.818 2.912 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.144 1.626 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.298 3.329 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.552 2.920 3.119 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.242 6.110 6.027 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.180 7.489 6.479 1.00 0.00 C ATOM 1521 C CYS A 95 -6.237 8.292 5.589 1.00 0.00 C ATOM 1522 O CYS A 95 -6.180 9.519 5.668 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.722 7.552 7.937 1.00 0.00 C ATOM 1524 SG CYS A 95 -5.117 6.774 8.240 1.00 0.00 S ATOM 0 H CYS A 95 -6.570 5.487 6.476 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.177 7.924 6.412 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.672 8.596 8.246 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -7.472 7.069 8.564 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.173 5.519 7.907 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.504 7.586 4.733 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.543 8.215 3.839 1.00 0.00 C ATOM 1532 C HIS A 96 -4.874 7.902 2.391 1.00 0.00 C ATOM 1533 O HIS A 96 -5.431 6.850 2.083 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.118 7.754 4.161 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.651 8.182 5.514 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.667 9.502 5.884 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.199 7.437 6.550 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.233 9.534 7.126 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -1.936 8.307 7.574 1.00 0.00 N ATOM 0 H HIS A 96 -5.560 6.572 4.641 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.603 9.293 3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.071 6.667 4.095 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.437 8.149 3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.071 6.365 6.566 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.129 10.436 7.711 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.582 8.067 8.500 1.00 0.00 H new ATOM 1547 N ARG A 97 -4.529 8.828 1.510 1.00 0.00 N ATOM 1548 CA ARG A 97 -4.799 8.677 0.091 1.00 0.00 C ATOM 1549 C ARG A 97 -3.498 8.358 -0.628 1.00 0.00 C ATOM 1550 O ARG A 97 -2.461 8.951 -0.322 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.425 9.956 -0.494 1.00 0.00 C ATOM 1552 CG ARG A 97 -6.600 10.500 0.313 1.00 0.00 C ATOM 1553 CD ARG A 97 -6.128 11.359 1.481 1.00 0.00 C ATOM 1554 NE ARG A 97 -7.169 11.558 2.490 1.00 0.00 N ATOM 1555 CZ ARG A 97 -6.979 12.202 3.644 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -5.811 12.777 3.910 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -7.959 12.275 4.531 1.00 0.00 N ATOM 0 H ARG A 97 -4.058 9.698 1.757 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.511 7.864 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.656 10.726 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.760 9.751 -1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.246 11.091 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.199 9.671 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.262 10.889 1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.801 12.329 1.105 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.098 11.181 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.052 12.728 3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.673 13.267 4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.860 11.839 4.333 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.813 12.767 5.413 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.548 7.419 -1.564 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.353 6.982 -2.280 1.00 0.00 C ATOM 1573 C LEU A 98 -1.836 8.091 -3.196 1.00 0.00 C ATOM 1574 O LEU A 98 -2.173 8.150 -4.376 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.650 5.712 -3.084 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.196 4.535 -2.267 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.360 3.304 -3.145 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.282 4.224 -1.093 1.00 0.00 C ATOM 0 H LEU A 98 -4.405 6.943 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.576 6.756 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.370 5.956 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.734 5.394 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.174 4.819 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.748 2.480 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.056 3.525 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.393 3.024 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.689 3.386 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.290 3.965 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.211 5.098 -0.446 1.00 0.00 H new ATOM 1590 N THR A 99 -1.003 8.957 -2.636 1.00 0.00 N ATOM 1591 CA THR A 99 -0.544 10.148 -3.332 1.00 0.00 C ATOM 1592 C THR A 99 0.593 9.829 -4.299 1.00 0.00 C ATOM 1593 O THR A 99 0.561 10.228 -5.465 1.00 0.00 O ATOM 1594 CB THR A 99 -0.082 11.213 -2.321 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.069 11.357 -1.290 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.140 12.555 -3.004 1.00 0.00 C ATOM 0 H THR A 99 -0.629 8.854 -1.693 1.00 0.00 H new ATOM 0 HA THR A 99 -1.383 10.535 -3.910 1.00 0.00 H new ATOM 0 HB THR A 99 0.863 10.887 -1.887 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.377 10.471 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.466 13.289 -2.267 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.905 12.450 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.791 12.889 -3.461 1.00 0.00 H new ATOM 1604 N ASN A 100 1.589 9.100 -3.820 1.00 0.00 N ATOM 1605 CA ASN A 100 2.740 8.755 -4.642 1.00 0.00 C ATOM 1606 C ASN A 100 3.395 7.485 -4.124 1.00 0.00 C ATOM 1607 O ASN A 100 3.290 7.159 -2.942 1.00 0.00 O ATOM 1608 CB ASN A 100 3.761 9.909 -4.692 1.00 0.00 C ATOM 1609 CG ASN A 100 4.584 10.088 -3.423 1.00 0.00 C ATOM 1610 OD1 ASN A 100 5.772 10.400 -3.487 1.00 0.00 O ATOM 1611 ND2 ASN A 100 3.959 9.942 -2.269 1.00 0.00 N ATOM 0 H ASN A 100 1.624 8.736 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 100 2.388 8.580 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.440 9.739 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.229 10.838 -4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.462 10.089 -1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.973 9.682 -2.252 1.00 0.00 H new ATOM 1618 N VAL A 101 4.047 6.758 -5.014 1.00 0.00 N ATOM 1619 CA VAL A 101 4.659 5.491 -4.654 1.00 0.00 C ATOM 1620 C VAL A 101 6.103 5.713 -4.228 1.00 0.00 C ATOM 1621 O VAL A 101 6.812 6.529 -4.821 1.00 0.00 O ATOM 1622 CB VAL A 101 4.620 4.483 -5.821 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.722 3.062 -5.295 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.361 4.660 -6.655 1.00 0.00 C ATOM 0 H VAL A 101 4.166 7.023 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 101 4.085 5.074 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 101 5.477 4.676 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.693 2.362 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.660 2.941 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.886 2.861 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.360 3.937 -7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.484 4.501 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.335 5.669 -7.066 1.00 0.00 H new ATOM 1634 N CYS A 102 6.522 4.992 -3.197 1.00 0.00 N ATOM 1635 CA CYS A 102 7.855 5.150 -2.635 1.00 0.00 C ATOM 1636 C CYS A 102 8.920 4.628 -3.586 1.00 0.00 C ATOM 1637 O CYS A 102 8.863 3.482 -4.030 1.00 0.00 O ATOM 1638 CB CYS A 102 7.958 4.418 -1.295 1.00 0.00 C ATOM 1639 SG CYS A 102 9.562 4.600 -0.477 1.00 0.00 S ATOM 0 H CYS A 102 5.952 4.287 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 102 8.025 6.215 -2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.178 4.789 -0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.762 3.358 -1.456 1.00 0.00 H new ATOM 0 HG CYS A 102 10.514 4.444 -1.349 1.00 0.00 H new ATOM 1645 N PRO A 103 9.903 5.472 -3.916 1.00 0.00 N ATOM 1646 CA PRO A 103 11.039 5.078 -4.746 1.00 0.00 C ATOM 1647 C PRO A 103 12.021 4.198 -3.977 1.00 0.00 C ATOM 1648 O PRO A 103 12.055 4.199 -2.743 1.00 0.00 O ATOM 1649 CB PRO A 103 11.690 6.411 -5.111 1.00 0.00 C ATOM 1650 CG PRO A 103 11.327 7.327 -3.997 1.00 0.00 C ATOM 1651 CD PRO A 103 9.976 6.886 -3.510 1.00 0.00 C ATOM 0 HA PRO A 103 10.735 4.490 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.771 6.311 -5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.320 6.784 -6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 103 12.064 7.276 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.298 8.362 -4.338 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.884 6.998 -2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.176 7.474 -3.961 1.00 0.00 H new ATOM 1659 N THR A 104 12.822 3.460 -4.732 1.00 0.00 N ATOM 1660 CA THR A 104 13.759 2.485 -4.182 1.00 0.00 C ATOM 1661 C THR A 104 14.828 3.121 -3.300 1.00 0.00 C ATOM 1662 O THR A 104 15.449 2.432 -2.497 1.00 0.00 O ATOM 1663 CB THR A 104 14.452 1.714 -5.316 1.00 0.00 C ATOM 1664 OG1 THR A 104 14.659 2.586 -6.437 1.00 0.00 O ATOM 1665 CG2 THR A 104 13.633 0.502 -5.739 1.00 0.00 C ATOM 0 H THR A 104 12.842 3.520 -5.750 1.00 0.00 H new ATOM 0 HA THR A 104 13.169 1.811 -3.562 1.00 0.00 H new ATOM 0 HB THR A 104 15.415 1.357 -4.950 1.00 0.00 H new ATOM 0 HG1 THR A 104 15.103 2.092 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.149 -0.023 -6.543 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.509 -0.168 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.654 0.829 -6.089 1.00 0.00 H new