USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 457 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 27 CYS SG : rot 160:sc= 0.528 USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= -0.0323 USER MOD Set 2.1: A 12 SER OG : rot -176:sc= 1.14 USER MOD Set 2.2: A 15 GLN : amide:sc= -0.856 K(o=0.28,f=-3.1) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.21) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.0161 (180deg=-0.23) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -5:sc= 0.307 USER MOD Single : A 23 SER OG : rot 105:sc= 0.195 USER MOD Single : A 25 THR OG1 : rot -62:sc= 1.24 USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0562) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0596) USER MOD Single : A 32 SER OG : rot 90:sc= -0.212 USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0149) USER MOD Single : A 35 TYR OH : rot 100:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.29) USER MOD Single : A 39 ASN : amide:sc= 0.769 K(o=0.77,f=-0.22) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.136 K(o=-0.14,f=-7.6!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.0015) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0033) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 2.12 (180deg=1.73) USER MOD Single : A 57 THR OG1 : rot -51:sc= 0.366 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00246 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 19.114 5.491 -10.734 1.00 0.00 N ATOM 2 CA ILE A 6 17.759 5.133 -10.345 1.00 0.00 C ATOM 3 C ILE A 6 17.453 3.767 -10.947 1.00 0.00 C ATOM 4 O ILE A 6 17.020 3.658 -12.093 1.00 0.00 O ATOM 5 CB ILE A 6 16.746 6.185 -10.832 1.00 0.00 C ATOM 6 CG1 ILE A 6 17.094 7.572 -10.276 1.00 0.00 C ATOM 7 CG2 ILE A 6 15.350 5.758 -10.369 1.00 0.00 C ATOM 8 CD1 ILE A 6 16.094 8.641 -10.712 1.00 0.00 C ATOM 0 HA ILE A 6 17.678 5.096 -9.259 1.00 0.00 H new ATOM 0 HB ILE A 6 16.776 6.249 -11.920 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.123 7.527 -9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.092 7.854 -10.610 1.00 0.00 H new ATOM 0 HG21 ILE A 6 14.616 6.491 -10.704 1.00 0.00 H new ATOM 0 HG22 ILE A 6 15.109 4.783 -10.792 1.00 0.00 H new ATOM 0 HG23 ILE A 6 15.331 5.696 -9.281 1.00 0.00 H new ATOM 0 HD11 ILE A 6 16.385 9.604 -10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.084 8.707 -11.800 1.00 0.00 H new ATOM 0 HD13 ILE A 6 15.099 8.375 -10.355 1.00 0.00 H new ATOM 19 N LYS A 7 17.690 2.720 -10.154 1.00 0.00 N ATOM 20 CA LYS A 7 17.408 1.346 -10.532 1.00 0.00 C ATOM 21 C LYS A 7 15.915 1.153 -10.775 1.00 0.00 C ATOM 22 O LYS A 7 15.092 1.738 -10.069 1.00 0.00 O ATOM 23 CB LYS A 7 17.869 0.427 -9.402 1.00 0.00 C ATOM 24 CG LYS A 7 19.379 0.526 -9.164 1.00 0.00 C ATOM 25 CD LYS A 7 19.803 -0.398 -8.021 1.00 0.00 C ATOM 26 CE LYS A 7 19.140 0.028 -6.709 1.00 0.00 C ATOM 27 NZ LYS A 7 19.552 -0.849 -5.598 1.00 0.00 N ATOM 0 H LYS A 7 18.089 2.811 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 7 17.938 1.107 -11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.339 0.686 -8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.606 -0.603 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 7 19.915 0.258 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.649 1.555 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.528 -1.426 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.887 -0.375 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.408 1.060 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.056 -0.003 -6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.214 -0.452 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.144 -1.796 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.589 -0.919 -5.577 1.00 0.00 H new ATOM 41 N ARG A 8 15.571 0.333 -11.770 1.00 0.00 N ATOM 42 CA ARG A 8 14.198 -0.017 -12.089 1.00 0.00 C ATOM 43 C ARG A 8 14.008 -1.516 -12.260 1.00 0.00 C ATOM 44 O ARG A 8 13.076 -1.972 -12.920 1.00 0.00 O ATOM 45 CB ARG A 8 13.705 0.816 -13.263 1.00 0.00 C ATOM 46 CG ARG A 8 14.336 0.462 -14.602 1.00 0.00 C ATOM 47 CD ARG A 8 15.818 0.830 -14.701 1.00 0.00 C ATOM 48 NE ARG A 8 16.055 2.243 -14.379 1.00 0.00 N ATOM 49 CZ ARG A 8 15.901 3.258 -15.234 1.00 0.00 C ATOM 50 NH1 ARG A 8 15.508 3.043 -16.491 1.00 0.00 N ATOM 51 NH2 ARG A 8 16.143 4.500 -14.828 1.00 0.00 N ATOM 0 H ARG A 8 16.255 -0.110 -12.383 1.00 0.00 H new ATOM 0 HA ARG A 8 13.563 0.235 -11.240 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.624 0.701 -13.344 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.899 1.868 -13.052 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.224 -0.608 -14.774 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.791 0.971 -15.396 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.394 0.202 -14.022 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.177 0.622 -15.709 1.00 0.00 H new ATOM 0 HE ARG A 8 16.360 2.466 -13.432 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.320 2.093 -16.811 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.395 3.829 -17.132 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.444 4.674 -13.869 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.028 5.280 -15.475 1.00 0.00 H new ATOM 65 N LYS A 9 14.919 -2.275 -11.648 1.00 0.00 N ATOM 66 CA LYS A 9 15.018 -3.721 -11.798 1.00 0.00 C ATOM 67 C LYS A 9 15.467 -4.385 -10.501 1.00 0.00 C ATOM 68 O LYS A 9 15.935 -5.522 -10.506 1.00 0.00 O ATOM 69 CB LYS A 9 15.983 -4.038 -12.939 1.00 0.00 C ATOM 70 CG LYS A 9 15.492 -3.357 -14.215 1.00 0.00 C ATOM 71 CD LYS A 9 16.438 -3.655 -15.373 1.00 0.00 C ATOM 72 CE LYS A 9 15.914 -2.999 -16.650 1.00 0.00 C ATOM 73 NZ LYS A 9 14.665 -3.630 -17.113 1.00 0.00 N ATOM 0 H LYS A 9 15.624 -1.888 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 9 14.033 -4.122 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.986 -3.691 -12.690 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.046 -5.116 -13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 9 14.488 -3.706 -14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.426 -2.280 -14.058 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.436 -3.282 -15.145 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.525 -4.732 -15.516 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.741 -1.938 -16.470 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.670 -3.070 -17.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.466 -3.331 -18.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.766 -4.665 -17.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.880 -3.341 -16.495 1.00 0.00 H new ATOM 87 N ASP A 10 15.326 -3.663 -9.387 1.00 0.00 N ATOM 88 CA ASP A 10 15.809 -4.115 -8.088 1.00 0.00 C ATOM 89 C ASP A 10 14.952 -3.591 -6.947 1.00 0.00 C ATOM 90 O ASP A 10 14.845 -4.250 -5.914 1.00 0.00 O ATOM 91 CB ASP A 10 17.246 -3.621 -7.938 1.00 0.00 C ATOM 92 CG ASP A 10 17.935 -4.203 -6.709 1.00 0.00 C ATOM 93 OD1 ASP A 10 17.943 -5.447 -6.579 1.00 0.00 O ATOM 94 OD2 ASP A 10 18.453 -3.394 -5.905 1.00 0.00 O ATOM 0 H ASP A 10 14.873 -2.749 -9.364 1.00 0.00 H new ATOM 0 HA ASP A 10 15.758 -5.203 -8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.814 -3.887 -8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.248 -2.533 -7.871 1.00 0.00 H new ATOM 99 N ALA A 11 14.337 -2.418 -7.127 1.00 0.00 N ATOM 100 CA ALA A 11 13.440 -1.846 -6.165 1.00 0.00 C ATOM 101 C ALA A 11 14.099 -1.824 -4.800 1.00 0.00 C ATOM 102 O ALA A 11 15.222 -1.364 -4.604 1.00 0.00 O ATOM 103 CB ALA A 11 12.105 -2.602 -6.229 1.00 0.00 C ATOM 0 H ALA A 11 14.462 -1.845 -7.962 1.00 0.00 H new ATOM 0 HA ALA A 11 13.213 -0.804 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.412 -2.178 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.683 -2.511 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.272 -3.655 -6.000 1.00 0.00 H new ATOM 109 N SER A 12 13.327 -2.349 -3.867 1.00 0.00 N ATOM 110 CA SER A 12 13.624 -2.375 -2.452 1.00 0.00 C ATOM 111 C SER A 12 12.634 -3.289 -1.729 1.00 0.00 C ATOM 112 O SER A 12 11.616 -3.670 -2.311 1.00 0.00 O ATOM 113 CB SER A 12 13.543 -0.934 -1.944 1.00 0.00 C ATOM 114 OG SER A 12 12.879 -0.819 -0.710 1.00 0.00 O ATOM 0 H SER A 12 12.434 -2.789 -4.089 1.00 0.00 H new ATOM 0 HA SER A 12 14.620 -2.773 -2.261 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.552 -0.533 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.028 -0.323 -2.685 1.00 0.00 H new ATOM 0 HG SER A 12 12.803 0.127 -0.467 1.00 0.00 H new ATOM 120 N PRO A 13 12.911 -3.646 -0.468 1.00 0.00 N ATOM 121 CA PRO A 13 12.043 -4.472 0.358 1.00 0.00 C ATOM 122 C PRO A 13 10.759 -3.730 0.665 1.00 0.00 C ATOM 123 O PRO A 13 9.711 -4.315 0.927 1.00 0.00 O ATOM 124 CB PRO A 13 12.801 -4.638 1.676 1.00 0.00 C ATOM 125 CG PRO A 13 14.257 -4.343 1.325 1.00 0.00 C ATOM 126 CD PRO A 13 14.095 -3.256 0.272 1.00 0.00 C ATOM 0 HA PRO A 13 11.801 -5.413 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.430 -3.950 2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.686 -5.646 2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.826 -3.998 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.772 -5.221 0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.972 -2.274 0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.969 -3.198 -0.377 1.00 0.00 H new ATOM 134 N GLU A 14 10.890 -2.411 0.624 1.00 0.00 N ATOM 135 CA GLU A 14 9.822 -1.474 0.854 1.00 0.00 C ATOM 136 C GLU A 14 9.147 -1.135 -0.452 1.00 0.00 C ATOM 137 O GLU A 14 7.927 -1.153 -0.543 1.00 0.00 O ATOM 138 CB GLU A 14 10.435 -0.202 1.423 1.00 0.00 C ATOM 139 CG GLU A 14 11.157 -0.513 2.727 1.00 0.00 C ATOM 140 CD GLU A 14 11.656 0.758 3.413 1.00 0.00 C ATOM 141 OE1 GLU A 14 12.805 1.158 3.120 1.00 0.00 O ATOM 142 OE2 GLU A 14 10.891 1.325 4.227 1.00 0.00 O ATOM 0 H GLU A 14 11.781 -1.957 0.421 1.00 0.00 H new ATOM 0 HA GLU A 14 9.090 -1.904 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.133 0.229 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.657 0.541 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.484 -1.048 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.000 -1.174 2.527 1.00 0.00 H new ATOM 149 N GLN A 15 9.955 -0.831 -1.466 1.00 0.00 N ATOM 150 CA GLN A 15 9.480 -0.345 -2.749 1.00 0.00 C ATOM 151 C GLN A 15 8.761 -1.449 -3.514 1.00 0.00 C ATOM 152 O GLN A 15 8.072 -1.167 -4.488 1.00 0.00 O ATOM 153 CB GLN A 15 10.688 0.136 -3.555 1.00 0.00 C ATOM 154 CG GLN A 15 11.204 1.534 -3.184 1.00 0.00 C ATOM 155 CD GLN A 15 11.338 1.777 -1.698 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.425 1.754 -1.131 1.00 0.00 O ATOM 157 NE2 GLN A 15 10.203 2.017 -1.054 1.00 0.00 N ATOM 0 H GLN A 15 10.970 -0.918 -1.414 1.00 0.00 H new ATOM 0 HA GLN A 15 8.774 0.470 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.500 -0.580 -3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.424 0.132 -4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.176 1.685 -3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.528 2.280 -3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.320 2.027 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.214 2.191 -0.049 1.00 0.00 H new ATOM 166 N GLU A 16 8.911 -2.705 -3.083 1.00 0.00 N ATOM 167 CA GLU A 16 8.218 -3.793 -3.752 1.00 0.00 C ATOM 168 C GLU A 16 6.759 -3.790 -3.319 1.00 0.00 C ATOM 169 O GLU A 16 5.920 -4.437 -3.945 1.00 0.00 O ATOM 170 CB GLU A 16 8.900 -5.134 -3.468 1.00 0.00 C ATOM 171 CG GLU A 16 8.833 -5.469 -1.979 1.00 0.00 C ATOM 172 CD GLU A 16 9.324 -6.889 -1.706 1.00 0.00 C ATOM 173 OE1 GLU A 16 10.549 -7.113 -1.812 1.00 0.00 O ATOM 174 OE2 GLU A 16 8.465 -7.748 -1.394 1.00 0.00 O ATOM 0 H GLU A 16 9.493 -2.983 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 16 8.260 -3.648 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.417 -5.923 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.940 -5.094 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.439 -4.758 -1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.807 -5.363 -1.626 1.00 0.00 H new ATOM 181 N ALA A 17 6.469 -3.053 -2.243 1.00 0.00 N ATOM 182 CA ALA A 17 5.109 -2.794 -1.838 1.00 0.00 C ATOM 183 C ALA A 17 4.770 -1.328 -2.057 1.00 0.00 C ATOM 184 O ALA A 17 3.816 -1.034 -2.765 1.00 0.00 O ATOM 185 CB ALA A 17 4.901 -3.246 -0.395 1.00 0.00 C ATOM 0 H ALA A 17 7.174 -2.628 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 17 4.419 -3.371 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.872 -3.047 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.102 -4.314 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.581 -2.700 0.259 1.00 0.00 H new ATOM 191 N ILE A 18 5.534 -0.408 -1.467 1.00 0.00 N ATOM 192 CA ILE A 18 5.272 1.016 -1.563 1.00 0.00 C ATOM 193 C ILE A 18 5.114 1.485 -2.991 1.00 0.00 C ATOM 194 O ILE A 18 4.141 2.167 -3.284 1.00 0.00 O ATOM 195 CB ILE A 18 6.404 1.800 -0.892 1.00 0.00 C ATOM 196 CG1 ILE A 18 6.058 1.834 0.582 1.00 0.00 C ATOM 197 CG2 ILE A 18 6.515 3.243 -1.399 1.00 0.00 C ATOM 198 CD1 ILE A 18 7.250 2.322 1.400 1.00 0.00 C ATOM 0 H ILE A 18 6.355 -0.638 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 18 4.327 1.201 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 18 7.357 1.319 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.204 2.491 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.764 0.839 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.335 3.747 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.707 3.238 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.583 3.771 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.983 2.340 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.094 1.649 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.525 3.326 1.078 1.00 0.00 H new ATOM 210 N GLU A 19 6.033 1.150 -3.892 1.00 0.00 N ATOM 211 CA GLU A 19 5.924 1.711 -5.227 1.00 0.00 C ATOM 212 C GLU A 19 4.830 1.011 -6.016 1.00 0.00 C ATOM 213 O GLU A 19 4.322 1.551 -6.996 1.00 0.00 O ATOM 214 CB GLU A 19 7.267 1.669 -5.933 1.00 0.00 C ATOM 215 CG GLU A 19 8.319 2.300 -5.031 1.00 0.00 C ATOM 216 CD GLU A 19 9.514 2.800 -5.838 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.110 1.978 -6.570 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.828 4.005 -5.720 1.00 0.00 O ATOM 0 H GLU A 19 6.823 0.525 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 19 5.636 2.759 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.539 0.639 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.212 2.206 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.877 3.130 -4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.655 1.570 -4.294 1.00 0.00 H new ATOM 225 N SER A 20 4.460 -0.196 -5.587 1.00 0.00 N ATOM 226 CA SER A 20 3.395 -0.940 -6.234 1.00 0.00 C ATOM 227 C SER A 20 2.062 -0.441 -5.697 1.00 0.00 C ATOM 228 O SER A 20 1.038 -0.510 -6.373 1.00 0.00 O ATOM 229 CB SER A 20 3.571 -2.425 -5.925 1.00 0.00 C ATOM 230 OG SER A 20 2.744 -3.202 -6.764 1.00 0.00 O ATOM 0 H SER A 20 4.886 -0.674 -4.793 1.00 0.00 H new ATOM 0 HA SER A 20 3.424 -0.798 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.613 -2.711 -6.065 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.325 -2.618 -4.881 1.00 0.00 H new ATOM 0 HG SER A 20 2.868 -4.152 -6.557 1.00 0.00 H new ATOM 236 N PHE A 21 2.085 0.073 -4.466 1.00 0.00 N ATOM 237 CA PHE A 21 0.899 0.478 -3.755 1.00 0.00 C ATOM 238 C PHE A 21 0.580 1.911 -4.126 1.00 0.00 C ATOM 239 O PHE A 21 -0.526 2.242 -4.539 1.00 0.00 O ATOM 240 CB PHE A 21 1.224 0.349 -2.277 1.00 0.00 C ATOM 241 CG PHE A 21 0.035 0.382 -1.358 1.00 0.00 C ATOM 242 CD1 PHE A 21 -0.586 1.591 -1.027 1.00 0.00 C ATOM 243 CD2 PHE A 21 -0.436 -0.823 -0.835 1.00 0.00 C ATOM 244 CE1 PHE A 21 -1.678 1.595 -0.149 1.00 0.00 C ATOM 245 CE2 PHE A 21 -1.525 -0.824 0.043 1.00 0.00 C ATOM 246 CZ PHE A 21 -2.143 0.385 0.389 1.00 0.00 C ATOM 0 H PHE A 21 2.946 0.216 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 21 0.030 -0.132 -4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.760 -0.587 -2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.902 1.156 -1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.225 2.518 -1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.040 -1.754 -1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.160 2.525 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.889 -1.755 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.980 0.386 1.072 1.00 0.00 H new ATOM 256 N THR A 22 1.588 2.765 -3.975 1.00 0.00 N ATOM 257 CA THR A 22 1.499 4.170 -4.309 1.00 0.00 C ATOM 258 C THR A 22 1.144 4.393 -5.781 1.00 0.00 C ATOM 259 O THR A 22 0.502 5.391 -6.107 1.00 0.00 O ATOM 260 CB THR A 22 2.849 4.775 -3.950 1.00 0.00 C ATOM 261 OG1 THR A 22 2.731 6.168 -3.781 1.00 0.00 O ATOM 262 CG2 THR A 22 3.876 4.478 -5.037 1.00 0.00 C ATOM 0 H THR A 22 2.500 2.489 -3.611 1.00 0.00 H new ATOM 0 HA THR A 22 0.694 4.651 -3.753 1.00 0.00 H new ATOM 0 HB THR A 22 3.184 4.327 -3.015 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.822 6.450 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.834 4.919 -4.762 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.990 3.399 -5.145 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.539 4.903 -5.982 1.00 0.00 H new ATOM 270 N SER A 23 1.539 3.486 -6.686 1.00 0.00 N ATOM 271 CA SER A 23 1.191 3.589 -8.085 1.00 0.00 C ATOM 272 C SER A 23 -0.187 3.005 -8.375 1.00 0.00 C ATOM 273 O SER A 23 -0.858 3.444 -9.309 1.00 0.00 O ATOM 274 CB SER A 23 2.244 2.827 -8.873 1.00 0.00 C ATOM 275 OG SER A 23 3.431 3.585 -8.961 1.00 0.00 O ATOM 0 H SER A 23 2.105 2.669 -6.457 1.00 0.00 H new ATOM 0 HA SER A 23 1.158 4.640 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.449 1.872 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.871 2.605 -9.873 1.00 0.00 H new ATOM 0 HG SER A 23 4.105 3.208 -8.357 1.00 0.00 H new ATOM 281 N LEU A 24 -0.627 2.021 -7.586 1.00 0.00 N ATOM 282 CA LEU A 24 -1.936 1.410 -7.766 1.00 0.00 C ATOM 283 C LEU A 24 -3.027 2.222 -7.065 1.00 0.00 C ATOM 284 O LEU A 24 -4.196 2.127 -7.433 1.00 0.00 O ATOM 285 CB LEU A 24 -1.841 -0.037 -7.264 1.00 0.00 C ATOM 286 CG LEU A 24 -3.119 -0.859 -7.443 1.00 0.00 C ATOM 287 CD1 LEU A 24 -2.736 -2.325 -7.633 1.00 0.00 C ATOM 288 CD2 LEU A 24 -4.008 -0.783 -6.203 1.00 0.00 C ATOM 0 H LEU A 24 -0.088 1.632 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.223 1.401 -8.818 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.027 -0.537 -7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.578 -0.024 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.658 -0.460 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.638 -2.923 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.105 -2.425 -8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.191 -2.675 -6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.907 -1.378 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.465 -1.171 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.287 0.254 -6.018 1.00 0.00 H new ATOM 300 N THR A 25 -2.651 3.024 -6.063 1.00 0.00 N ATOM 301 CA THR A 25 -3.589 3.821 -5.280 1.00 0.00 C ATOM 302 C THR A 25 -3.404 5.308 -5.523 1.00 0.00 C ATOM 303 O THR A 25 -4.162 6.114 -4.983 1.00 0.00 O ATOM 304 CB THR A 25 -3.443 3.519 -3.787 1.00 0.00 C ATOM 305 OG1 THR A 25 -2.203 4.014 -3.331 1.00 0.00 O ATOM 306 CG2 THR A 25 -3.499 2.022 -3.510 1.00 0.00 C ATOM 0 H THR A 25 -1.679 3.136 -5.774 1.00 0.00 H new ATOM 0 HA THR A 25 -4.592 3.546 -5.605 1.00 0.00 H new ATOM 0 HB THR A 25 -4.270 4.000 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.475 3.557 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.392 1.846 -2.440 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.456 1.625 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.689 1.523 -4.043 1.00 0.00 H new ATOM 314 N LYS A 26 -2.403 5.666 -6.334 1.00 0.00 N ATOM 315 CA LYS A 26 -2.251 7.025 -6.832 1.00 0.00 C ATOM 316 C LYS A 26 -1.987 8.024 -5.703 1.00 0.00 C ATOM 317 O LYS A 26 -2.006 9.233 -5.933 1.00 0.00 O ATOM 318 CB LYS A 26 -3.495 7.365 -7.665 1.00 0.00 C ATOM 319 CG LYS A 26 -3.950 6.173 -8.528 1.00 0.00 C ATOM 320 CD LYS A 26 -3.003 5.927 -9.703 1.00 0.00 C ATOM 321 CE LYS A 26 -3.409 4.659 -10.456 1.00 0.00 C ATOM 322 NZ LYS A 26 -4.704 4.824 -11.144 1.00 0.00 N ATOM 0 H LYS A 26 -1.682 5.021 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.370 7.096 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.306 7.663 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.279 8.218 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.003 5.277 -7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.956 6.360 -8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.022 6.782 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.980 5.831 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.639 4.406 -11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.472 3.825 -9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.890 3.991 -11.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.462 4.922 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.674 5.675 -11.741 1.00 0.00 H new ATOM 336 N CYS A 27 -1.744 7.525 -4.488 1.00 0.00 N ATOM 337 CA CYS A 27 -1.463 8.337 -3.319 1.00 0.00 C ATOM 338 C CYS A 27 0.046 8.574 -3.198 1.00 0.00 C ATOM 339 O CYS A 27 0.799 8.280 -4.124 1.00 0.00 O ATOM 340 CB CYS A 27 -2.048 7.627 -2.097 1.00 0.00 C ATOM 341 SG CYS A 27 -2.199 8.791 -0.714 1.00 0.00 S ATOM 0 H CYS A 27 -1.739 6.524 -4.294 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.925 9.321 -3.401 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.026 7.211 -2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.409 6.792 -1.811 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.057 8.332 0.148 1.00 0.00 H new ATOM 347 N ASP A 28 0.492 9.107 -2.057 1.00 0.00 N ATOM 348 CA ASP A 28 1.902 9.365 -1.803 1.00 0.00 C ATOM 349 C ASP A 28 2.579 8.113 -1.227 1.00 0.00 C ATOM 350 O ASP A 28 1.952 7.382 -0.458 1.00 0.00 O ATOM 351 CB ASP A 28 2.015 10.565 -0.862 1.00 0.00 C ATOM 352 CG ASP A 28 3.465 10.959 -0.604 1.00 0.00 C ATOM 353 OD1 ASP A 28 4.074 10.341 0.295 1.00 0.00 O ATOM 354 OD2 ASP A 28 3.950 11.872 -1.309 1.00 0.00 O ATOM 0 H ASP A 28 -0.120 9.370 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 28 2.419 9.602 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.481 11.413 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.530 10.329 0.085 1.00 0.00 H new ATOM 359 N PRO A 29 3.847 7.846 -1.573 1.00 0.00 N ATOM 360 CA PRO A 29 4.568 6.658 -1.130 1.00 0.00 C ATOM 361 C PRO A 29 4.634 6.517 0.389 1.00 0.00 C ATOM 362 O PRO A 29 4.753 5.401 0.895 1.00 0.00 O ATOM 363 CB PRO A 29 5.973 6.805 -1.715 1.00 0.00 C ATOM 364 CG PRO A 29 5.762 7.686 -2.943 1.00 0.00 C ATOM 365 CD PRO A 29 4.673 8.637 -2.470 1.00 0.00 C ATOM 0 HA PRO A 29 4.054 5.759 -1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.657 7.267 -1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.398 5.838 -1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.672 8.216 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.448 7.107 -3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.098 9.500 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.091 9.019 -3.309 1.00 0.00 H new ATOM 373 N LYS A 30 4.562 7.629 1.130 1.00 0.00 N ATOM 374 CA LYS A 30 4.621 7.586 2.584 1.00 0.00 C ATOM 375 C LYS A 30 3.271 7.186 3.169 1.00 0.00 C ATOM 376 O LYS A 30 3.209 6.759 4.319 1.00 0.00 O ATOM 377 CB LYS A 30 5.061 8.950 3.121 1.00 0.00 C ATOM 378 CG LYS A 30 6.412 9.404 2.545 1.00 0.00 C ATOM 379 CD LYS A 30 7.541 8.406 2.808 1.00 0.00 C ATOM 380 CE LYS A 30 7.687 8.118 4.301 1.00 0.00 C ATOM 381 NZ LYS A 30 8.109 9.322 5.045 1.00 0.00 N ATOM 0 H LYS A 30 4.463 8.567 0.741 1.00 0.00 H new ATOM 0 HA LYS A 30 5.350 6.834 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.300 9.693 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.131 8.903 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.310 9.554 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.679 10.368 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.341 7.477 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.479 8.802 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.738 7.758 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.417 7.322 4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.297 9.069 6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.974 9.710 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.354 10.036 5.007 1.00 0.00 H new ATOM 395 N VAL A 31 2.191 7.313 2.396 1.00 0.00 N ATOM 396 CA VAL A 31 0.884 6.843 2.834 1.00 0.00 C ATOM 397 C VAL A 31 0.786 5.348 2.554 1.00 0.00 C ATOM 398 O VAL A 31 0.154 4.615 3.312 1.00 0.00 O ATOM 399 CB VAL A 31 -0.240 7.621 2.141 1.00 0.00 C ATOM 400 CG1 VAL A 31 -1.601 7.171 2.669 1.00 0.00 C ATOM 401 CG2 VAL A 31 -0.095 9.119 2.419 1.00 0.00 C ATOM 0 H VAL A 31 2.199 7.736 1.468 1.00 0.00 H new ATOM 0 HA VAL A 31 0.770 7.015 3.904 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.171 7.428 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.389 7.732 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.733 6.107 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.653 7.352 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.899 9.661 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.148 9.297 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.866 9.468 2.041 1.00 0.00 H new ATOM 411 N SER A 32 1.417 4.883 1.470 1.00 0.00 N ATOM 412 CA SER A 32 1.482 3.457 1.186 1.00 0.00 C ATOM 413 C SER A 32 2.193 2.778 2.348 1.00 0.00 C ATOM 414 O SER A 32 1.746 1.760 2.869 1.00 0.00 O ATOM 415 CB SER A 32 2.255 3.210 -0.113 1.00 0.00 C ATOM 416 OG SER A 32 1.616 3.874 -1.184 1.00 0.00 O ATOM 0 H SER A 32 1.885 5.474 0.783 1.00 0.00 H new ATOM 0 HA SER A 32 0.477 3.053 1.066 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.280 3.568 -0.011 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.310 2.141 -0.317 1.00 0.00 H new ATOM 0 HG SER A 32 1.978 4.781 -1.270 1.00 0.00 H new ATOM 422 N ARG A 33 3.316 3.379 2.745 1.00 0.00 N ATOM 423 CA ARG A 33 4.164 2.942 3.839 1.00 0.00 C ATOM 424 C ARG A 33 3.425 2.930 5.164 1.00 0.00 C ATOM 425 O ARG A 33 3.655 2.038 5.966 1.00 0.00 O ATOM 426 CB ARG A 33 5.341 3.914 3.846 1.00 0.00 C ATOM 427 CG ARG A 33 6.424 3.480 4.826 1.00 0.00 C ATOM 428 CD ARG A 33 7.747 4.169 4.499 1.00 0.00 C ATOM 429 NE ARG A 33 8.888 3.433 5.060 1.00 0.00 N ATOM 430 CZ ARG A 33 9.325 3.527 6.318 1.00 0.00 C ATOM 431 NH1 ARG A 33 8.743 4.341 7.197 1.00 0.00 N ATOM 432 NH2 ARG A 33 10.364 2.792 6.697 1.00 0.00 N ATOM 0 H ARG A 33 3.669 4.220 2.288 1.00 0.00 H new ATOM 0 HA ARG A 33 4.496 1.913 3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.763 3.982 2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.988 4.911 4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.121 3.725 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.550 2.398 4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.860 4.249 3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.737 5.185 4.894 1.00 0.00 H new ATOM 0 HE ARG A 33 9.387 2.798 4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.945 4.910 6.914 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.095 4.395 8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.817 2.167 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.709 2.853 7.655 1.00 0.00 H new ATOM 446 N LYS A 34 2.542 3.887 5.430 1.00 0.00 N ATOM 447 CA LYS A 34 1.904 3.931 6.736 1.00 0.00 C ATOM 448 C LYS A 34 0.656 3.053 6.824 1.00 0.00 C ATOM 449 O LYS A 34 0.116 2.882 7.914 1.00 0.00 O ATOM 450 CB LYS A 34 1.562 5.379 7.070 1.00 0.00 C ATOM 451 CG LYS A 34 2.823 6.180 7.398 1.00 0.00 C ATOM 452 CD LYS A 34 2.529 7.675 7.442 1.00 0.00 C ATOM 453 CE LYS A 34 1.416 7.999 8.431 1.00 0.00 C ATOM 454 NZ LYS A 34 1.816 7.715 9.821 1.00 0.00 N ATOM 0 H LYS A 34 2.260 4.620 4.780 1.00 0.00 H new ATOM 0 HA LYS A 34 2.609 3.527 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.045 5.838 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.878 5.408 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.223 5.857 8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.590 5.979 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.433 8.216 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.245 8.020 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.144 9.050 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.529 7.417 8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.058 8.012 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.986 6.695 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.687 8.238 10.045 1.00 0.00 H new ATOM 468 N TYR A 35 0.193 2.494 5.702 1.00 0.00 N ATOM 469 CA TYR A 35 -0.867 1.489 5.724 1.00 0.00 C ATOM 470 C TYR A 35 -0.245 0.107 5.598 1.00 0.00 C ATOM 471 O TYR A 35 -0.846 -0.889 6.000 1.00 0.00 O ATOM 472 CB TYR A 35 -1.842 1.722 4.566 1.00 0.00 C ATOM 473 CG TYR A 35 -2.898 2.777 4.805 1.00 0.00 C ATOM 474 CD1 TYR A 35 -2.544 4.127 4.953 1.00 0.00 C ATOM 475 CD2 TYR A 35 -4.247 2.401 4.865 1.00 0.00 C ATOM 476 CE1 TYR A 35 -3.533 5.101 5.143 1.00 0.00 C ATOM 477 CE2 TYR A 35 -5.244 3.366 5.066 1.00 0.00 C ATOM 478 CZ TYR A 35 -4.890 4.724 5.200 1.00 0.00 C ATOM 479 OH TYR A 35 -5.855 5.666 5.391 1.00 0.00 O ATOM 0 H TYR A 35 0.537 2.722 4.769 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.415 1.565 6.663 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.269 2.001 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.340 0.780 4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.504 4.416 4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.520 1.362 4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.256 6.140 5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.281 3.070 5.118 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.268 5.891 4.531 1.00 0.00 H new ATOM 489 N LEU A 36 0.969 0.045 5.041 1.00 0.00 N ATOM 490 CA LEU A 36 1.679 -1.216 4.904 1.00 0.00 C ATOM 491 C LEU A 36 2.233 -1.635 6.261 1.00 0.00 C ATOM 492 O LEU A 36 2.280 -2.823 6.568 1.00 0.00 O ATOM 493 CB LEU A 36 2.803 -1.047 3.876 1.00 0.00 C ATOM 494 CG LEU A 36 2.292 -1.155 2.435 1.00 0.00 C ATOM 495 CD1 LEU A 36 3.361 -0.631 1.479 1.00 0.00 C ATOM 496 CD2 LEU A 36 1.998 -2.608 2.065 1.00 0.00 C ATOM 0 H LEU A 36 1.473 0.855 4.681 1.00 0.00 H new ATOM 0 HA LEU A 36 1.003 -1.997 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.280 -0.078 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.566 -1.806 4.047 1.00 0.00 H new ATOM 0 HG LEU A 36 1.376 -0.570 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.000 -0.707 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.578 0.412 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.269 -1.223 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.637 -2.656 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.910 -3.199 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.237 -3.008 2.736 1.00 0.00 H new ATOM 508 N GLN A 37 2.650 -0.669 7.080 1.00 0.00 N ATOM 509 CA GLN A 37 3.185 -0.954 8.403 1.00 0.00 C ATOM 510 C GLN A 37 2.106 -1.486 9.344 1.00 0.00 C ATOM 511 O GLN A 37 2.426 -1.981 10.426 1.00 0.00 O ATOM 512 CB GLN A 37 3.824 0.303 8.956 1.00 0.00 C ATOM 513 CG GLN A 37 5.076 0.563 8.124 1.00 0.00 C ATOM 514 CD GLN A 37 5.786 1.805 8.590 1.00 0.00 C ATOM 515 OE1 GLN A 37 6.635 1.763 9.478 1.00 0.00 O ATOM 516 NE2 GLN A 37 5.440 2.925 7.988 1.00 0.00 N ATOM 0 H GLN A 37 2.625 0.323 6.844 1.00 0.00 H new ATOM 0 HA GLN A 37 3.939 -1.737 8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.136 1.146 8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.078 0.177 10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.748 -0.292 8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.804 0.668 7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.730 2.912 7.256 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.882 3.805 8.254 1.00 0.00 H new ATOM 525 N ARG A 38 0.835 -1.387 8.940 1.00 0.00 N ATOM 526 CA ARG A 38 -0.284 -1.870 9.734 1.00 0.00 C ATOM 527 C ARG A 38 -0.681 -3.282 9.315 1.00 0.00 C ATOM 528 O ARG A 38 -1.541 -3.897 9.938 1.00 0.00 O ATOM 529 CB ARG A 38 -1.470 -0.915 9.594 1.00 0.00 C ATOM 530 CG ARG A 38 -1.015 0.516 9.874 1.00 0.00 C ATOM 531 CD ARG A 38 -2.180 1.420 10.281 1.00 0.00 C ATOM 532 NE ARG A 38 -3.171 1.547 9.208 1.00 0.00 N ATOM 533 CZ ARG A 38 -3.819 2.678 8.920 1.00 0.00 C ATOM 534 NH1 ARG A 38 -3.595 3.800 9.601 1.00 0.00 N ATOM 535 NH2 ARG A 38 -4.710 2.687 7.933 1.00 0.00 N ATOM 0 H ARG A 38 0.560 -0.968 8.051 1.00 0.00 H new ATOM 0 HA ARG A 38 0.022 -1.905 10.780 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.888 -0.984 8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.261 -1.198 10.289 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.267 0.510 10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.534 0.924 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.659 1.016 11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.800 2.407 10.543 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.378 0.721 8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.916 3.808 10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.103 4.652 9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.893 1.835 7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.210 3.546 7.705 1.00 0.00 H new ATOM 549 N ASN A 39 -0.050 -3.793 8.252 1.00 0.00 N ATOM 550 CA ASN A 39 -0.378 -5.082 7.667 1.00 0.00 C ATOM 551 C ASN A 39 0.886 -5.876 7.318 1.00 0.00 C ATOM 552 O ASN A 39 0.861 -6.699 6.403 1.00 0.00 O ATOM 553 CB ASN A 39 -1.277 -4.866 6.445 1.00 0.00 C ATOM 554 CG ASN A 39 -2.610 -4.237 6.823 1.00 0.00 C ATOM 555 OD1 ASN A 39 -3.576 -4.948 7.089 1.00 0.00 O ATOM 556 ND2 ASN A 39 -2.679 -2.909 6.855 1.00 0.00 N ATOM 0 H ASN A 39 0.711 -3.311 7.774 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.922 -5.681 8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.765 -4.226 5.727 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.454 -5.822 5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.554 -2.450 7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.857 -2.350 6.628 1.00 0.00 H new ATOM 563 N HIS A 40 1.987 -5.629 8.034 1.00 0.00 N ATOM 564 CA HIS A 40 3.260 -6.314 7.824 1.00 0.00 C ATOM 565 C HIS A 40 3.740 -6.218 6.375 1.00 0.00 C ATOM 566 O HIS A 40 4.402 -7.124 5.868 1.00 0.00 O ATOM 567 CB HIS A 40 3.167 -7.763 8.286 1.00 0.00 C ATOM 568 CG HIS A 40 2.485 -7.938 9.616 1.00 0.00 C ATOM 569 ND1 HIS A 40 2.776 -7.222 10.781 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.481 -8.826 9.871 1.00 0.00 C ATOM 571 CE1 HIS A 40 1.932 -7.702 11.708 1.00 0.00 C ATOM 572 NE2 HIS A 40 1.149 -8.666 11.192 1.00 0.00 N ATOM 0 H HIS A 40 2.017 -4.939 8.784 1.00 0.00 H new ATOM 0 HA HIS A 40 4.010 -5.806 8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.628 -8.340 7.534 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.172 -8.180 8.347 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.036 -9.518 9.171 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.888 -7.360 12.731 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.432 -9.188 11.696 1.00 0.00 H new ATOM 580 N TRP A 41 3.398 -5.111 5.714 1.00 0.00 N ATOM 581 CA TRP A 41 3.727 -4.847 4.322 1.00 0.00 C ATOM 582 C TRP A 41 3.166 -5.907 3.373 1.00 0.00 C ATOM 583 O TRP A 41 3.763 -6.202 2.338 1.00 0.00 O ATOM 584 CB TRP A 41 5.224 -4.580 4.146 1.00 0.00 C ATOM 585 CG TRP A 41 5.765 -3.415 4.908 1.00 0.00 C ATOM 586 CD1 TRP A 41 5.666 -3.218 6.239 1.00 0.00 C ATOM 587 CD2 TRP A 41 6.492 -2.260 4.389 1.00 0.00 C ATOM 588 NE1 TRP A 41 6.308 -2.051 6.578 1.00 0.00 N ATOM 589 CE2 TRP A 41 6.816 -1.401 5.476 1.00 0.00 C ATOM 590 CE3 TRP A 41 6.895 -1.841 3.107 1.00 0.00 C ATOM 591 CZ2 TRP A 41 7.510 -0.197 5.308 1.00 0.00 C ATOM 592 CZ3 TRP A 41 7.551 -0.616 2.926 1.00 0.00 C ATOM 593 CH2 TRP A 41 7.890 0.190 4.019 1.00 0.00 C ATOM 0 H TRP A 41 2.869 -4.355 6.149 1.00 0.00 H new ATOM 0 HA TRP A 41 3.221 -3.927 4.031 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.772 -5.473 4.445 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.425 -4.423 3.086 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.161 -3.875 6.931 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.398 -1.707 7.534 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.696 -2.471 2.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.748 0.423 6.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.799 -0.289 1.927 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.442 1.106 3.868 1.00 0.00 H new ATOM 604 N ASN A 42 2.011 -6.482 3.727 1.00 0.00 N ATOM 605 CA ASN A 42 1.299 -7.393 2.857 1.00 0.00 C ATOM 606 C ASN A 42 0.459 -6.511 1.952 1.00 0.00 C ATOM 607 O ASN A 42 -0.416 -5.795 2.438 1.00 0.00 O ATOM 608 CB ASN A 42 0.403 -8.310 3.682 1.00 0.00 C ATOM 609 CG ASN A 42 -0.222 -9.378 2.799 1.00 0.00 C ATOM 610 OD1 ASN A 42 -1.048 -9.075 1.945 1.00 0.00 O ATOM 611 ND2 ASN A 42 0.169 -10.634 2.992 1.00 0.00 N ATOM 0 H ASN A 42 1.554 -6.322 4.625 1.00 0.00 H new ATOM 0 HA ASN A 42 1.977 -8.029 2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.985 -8.780 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.380 -7.725 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.221 -11.383 2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.859 -10.848 3.712 1.00 0.00 H new ATOM 618 N ILE A 43 0.704 -6.545 0.644 1.00 0.00 N ATOM 619 CA ILE A 43 0.081 -5.551 -0.210 1.00 0.00 C ATOM 620 C ILE A 43 -1.411 -5.819 -0.407 1.00 0.00 C ATOM 621 O ILE A 43 -2.145 -4.928 -0.824 1.00 0.00 O ATOM 622 CB ILE A 43 0.850 -5.467 -1.535 1.00 0.00 C ATOM 623 CG1 ILE A 43 0.763 -4.033 -2.064 1.00 0.00 C ATOM 624 CG2 ILE A 43 0.299 -6.469 -2.547 1.00 0.00 C ATOM 625 CD1 ILE A 43 1.500 -3.858 -3.388 1.00 0.00 C ATOM 0 H ILE A 43 1.304 -7.222 0.172 1.00 0.00 H new ATOM 0 HA ILE A 43 0.136 -4.578 0.278 1.00 0.00 H new ATOM 0 HB ILE A 43 1.896 -5.724 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.284 -3.759 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.181 -3.350 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.860 -6.391 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.396 -7.479 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.752 -6.253 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.409 -2.824 -3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.553 -4.104 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.065 -4.520 -4.137 1.00 0.00 H new ATOM 637 N ASN A 44 -1.879 -7.036 -0.110 1.00 0.00 N ATOM 638 CA ASN A 44 -3.273 -7.387 -0.325 1.00 0.00 C ATOM 639 C ASN A 44 -4.072 -6.958 0.893 1.00 0.00 C ATOM 640 O ASN A 44 -5.172 -6.419 0.781 1.00 0.00 O ATOM 641 CB ASN A 44 -3.382 -8.895 -0.553 1.00 0.00 C ATOM 642 CG ASN A 44 -4.837 -9.334 -0.567 1.00 0.00 C ATOM 643 OD1 ASN A 44 -5.289 -10.048 0.323 1.00 0.00 O ATOM 644 ND2 ASN A 44 -5.584 -8.908 -1.577 1.00 0.00 N ATOM 0 H ASN A 44 -1.309 -7.787 0.278 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.670 -6.880 -1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.908 -9.160 -1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.845 -9.426 0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.568 -9.173 -1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.175 -8.315 -2.299 1.00 0.00 H new ATOM 651 N TYR A 45 -3.493 -7.203 2.064 1.00 0.00 N ATOM 652 CA TYR A 45 -4.089 -6.841 3.336 1.00 0.00 C ATOM 653 C TYR A 45 -4.099 -5.325 3.485 1.00 0.00 C ATOM 654 O TYR A 45 -5.068 -4.747 3.976 1.00 0.00 O ATOM 655 CB TYR A 45 -3.222 -7.430 4.437 1.00 0.00 C ATOM 656 CG TYR A 45 -3.075 -8.938 4.475 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.784 -9.768 3.592 1.00 0.00 C ATOM 658 CD2 TYR A 45 -2.200 -9.503 5.416 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.595 -11.157 3.630 1.00 0.00 C ATOM 660 CE2 TYR A 45 -2.011 -10.890 5.465 1.00 0.00 C ATOM 661 CZ TYR A 45 -2.710 -11.725 4.570 1.00 0.00 C ATOM 662 OH TYR A 45 -2.529 -13.074 4.615 1.00 0.00 O ATOM 0 H TYR A 45 -2.587 -7.664 2.153 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.111 -7.216 3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.226 -6.996 4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.628 -7.107 5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.475 -9.337 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.669 -8.864 6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.128 -11.793 2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.331 -11.319 6.187 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.885 -13.294 5.320 1.00 0.00 H new ATOM 672 N ALA A 46 -3.008 -4.687 3.055 1.00 0.00 N ATOM 673 CA ALA A 46 -2.844 -3.250 3.170 1.00 0.00 C ATOM 674 C ALA A 46 -3.746 -2.502 2.189 1.00 0.00 C ATOM 675 O ALA A 46 -4.134 -1.368 2.459 1.00 0.00 O ATOM 676 CB ALA A 46 -1.370 -2.926 2.934 1.00 0.00 C ATOM 0 H ALA A 46 -2.217 -5.160 2.618 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.142 -2.922 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.217 -1.850 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.761 -3.436 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.079 -3.260 1.938 1.00 0.00 H new ATOM 682 N LEU A 47 -4.089 -3.121 1.051 1.00 0.00 N ATOM 683 CA LEU A 47 -4.988 -2.480 0.100 1.00 0.00 C ATOM 684 C LEU A 47 -6.426 -2.536 0.608 1.00 0.00 C ATOM 685 O LEU A 47 -7.206 -1.628 0.335 1.00 0.00 O ATOM 686 CB LEU A 47 -4.880 -3.144 -1.277 1.00 0.00 C ATOM 687 CG LEU A 47 -3.677 -2.630 -2.079 1.00 0.00 C ATOM 688 CD1 LEU A 47 -3.529 -3.458 -3.356 1.00 0.00 C ATOM 689 CD2 LEU A 47 -3.860 -1.169 -2.483 1.00 0.00 C ATOM 0 H LEU A 47 -3.762 -4.047 0.776 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.695 -1.435 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.796 -4.223 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.795 -2.959 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.793 -2.718 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.675 -3.095 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.373 -4.505 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.434 -3.365 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.990 -0.836 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.754 -1.071 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.967 -0.555 -1.589 1.00 0.00 H new ATOM 701 N ASN A 48 -6.788 -3.586 1.352 1.00 0.00 N ATOM 702 CA ASN A 48 -8.127 -3.671 1.917 1.00 0.00 C ATOM 703 C ASN A 48 -8.272 -2.683 3.072 1.00 0.00 C ATOM 704 O ASN A 48 -9.361 -2.163 3.302 1.00 0.00 O ATOM 705 CB ASN A 48 -8.407 -5.105 2.367 1.00 0.00 C ATOM 706 CG ASN A 48 -8.868 -5.972 1.202 1.00 0.00 C ATOM 707 OD1 ASN A 48 -10.066 -6.156 1.001 1.00 0.00 O ATOM 708 ND2 ASN A 48 -7.934 -6.509 0.425 1.00 0.00 N ATOM 0 H ASN A 48 -6.179 -4.375 1.571 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.862 -3.405 1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.506 -5.533 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.171 -5.102 3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.203 -7.094 -0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.948 -6.336 0.619 1.00 0.00 H new ATOM 715 N ASP A 49 -7.186 -2.416 3.802 1.00 0.00 N ATOM 716 CA ASP A 49 -7.205 -1.459 4.900 1.00 0.00 C ATOM 717 C ASP A 49 -7.307 -0.037 4.351 1.00 0.00 C ATOM 718 O ASP A 49 -7.945 0.818 4.952 1.00 0.00 O ATOM 719 CB ASP A 49 -5.929 -1.647 5.726 1.00 0.00 C ATOM 720 CG ASP A 49 -5.924 -0.761 6.967 1.00 0.00 C ATOM 721 OD1 ASP A 49 -6.815 -0.965 7.820 1.00 0.00 O ATOM 722 OD2 ASP A 49 -5.033 0.112 7.054 1.00 0.00 O ATOM 0 H ASP A 49 -6.279 -2.855 3.647 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.072 -1.627 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.839 -2.692 6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.060 -1.416 5.110 1.00 0.00 H new ATOM 727 N TYR A 50 -6.687 0.228 3.203 1.00 0.00 N ATOM 728 CA TYR A 50 -6.769 1.518 2.547 1.00 0.00 C ATOM 729 C TYR A 50 -8.149 1.744 1.943 1.00 0.00 C ATOM 730 O TYR A 50 -8.711 2.823 2.102 1.00 0.00 O ATOM 731 CB TYR A 50 -5.667 1.565 1.498 1.00 0.00 C ATOM 732 CG TYR A 50 -5.510 2.903 0.821 1.00 0.00 C ATOM 733 CD1 TYR A 50 -4.639 3.865 1.354 1.00 0.00 C ATOM 734 CD2 TYR A 50 -6.234 3.171 -0.344 1.00 0.00 C ATOM 735 CE1 TYR A 50 -4.494 5.106 0.718 1.00 0.00 C ATOM 736 CE2 TYR A 50 -6.104 4.409 -0.982 1.00 0.00 C ATOM 737 CZ TYR A 50 -5.233 5.384 -0.453 1.00 0.00 C ATOM 738 OH TYR A 50 -5.106 6.594 -1.073 1.00 0.00 O ATOM 0 H TYR A 50 -6.113 -0.453 2.705 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.627 2.325 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.722 1.296 1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.871 0.809 0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.081 3.650 2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.895 2.421 -0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.820 5.847 1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.670 4.618 -1.878 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.684 6.618 -1.864 1.00 0.00 H new ATOM 748 N TYR A 51 -8.703 0.738 1.260 1.00 0.00 N ATOM 749 CA TYR A 51 -10.049 0.827 0.709 1.00 0.00 C ATOM 750 C TYR A 51 -11.078 0.940 1.833 1.00 0.00 C ATOM 751 O TYR A 51 -12.220 1.321 1.593 1.00 0.00 O ATOM 752 CB TYR A 51 -10.343 -0.410 -0.142 1.00 0.00 C ATOM 753 CG TYR A 51 -9.453 -0.612 -1.351 1.00 0.00 C ATOM 754 CD1 TYR A 51 -8.668 0.438 -1.857 1.00 0.00 C ATOM 755 CD2 TYR A 51 -9.423 -1.870 -1.969 1.00 0.00 C ATOM 756 CE1 TYR A 51 -7.854 0.231 -2.980 1.00 0.00 C ATOM 757 CE2 TYR A 51 -8.614 -2.084 -3.094 1.00 0.00 C ATOM 758 CZ TYR A 51 -7.826 -1.032 -3.604 1.00 0.00 C ATOM 759 OH TYR A 51 -7.041 -1.239 -4.697 1.00 0.00 O ATOM 0 H TYR A 51 -8.234 -0.149 1.077 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.114 1.718 0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.263 -1.291 0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.377 -0.355 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.692 1.407 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.025 -2.677 -1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.249 1.038 -3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.595 -3.054 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.141 -2.165 -5.000 1.00 0.00 H new ATOM 769 N ASP A 52 -10.667 0.608 3.060 1.00 0.00 N ATOM 770 CA ASP A 52 -11.524 0.717 4.231 1.00 0.00 C ATOM 771 C ASP A 52 -11.489 2.135 4.798 1.00 0.00 C ATOM 772 O ASP A 52 -12.300 2.484 5.653 1.00 0.00 O ATOM 773 CB ASP A 52 -11.041 -0.295 5.267 1.00 0.00 C ATOM 774 CG ASP A 52 -11.923 -0.311 6.510 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.112 -0.681 6.375 1.00 0.00 O ATOM 776 OD2 ASP A 52 -11.399 0.050 7.588 1.00 0.00 O ATOM 0 H ASP A 52 -9.731 0.257 3.263 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.558 0.505 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.026 -1.290 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.016 -0.058 5.554 1.00 0.00 H new ATOM 781 N LYS A 53 -10.544 2.955 4.321 1.00 0.00 N ATOM 782 CA LYS A 53 -10.314 4.296 4.834 1.00 0.00 C ATOM 783 C LYS A 53 -10.717 5.377 3.835 1.00 0.00 C ATOM 784 O LYS A 53 -10.794 6.548 4.201 1.00 0.00 O ATOM 785 CB LYS A 53 -8.838 4.411 5.231 1.00 0.00 C ATOM 786 CG LYS A 53 -8.669 4.510 6.751 1.00 0.00 C ATOM 787 CD LYS A 53 -9.201 3.296 7.515 1.00 0.00 C ATOM 788 CE LYS A 53 -8.151 2.193 7.557 1.00 0.00 C ATOM 789 NZ LYS A 53 -8.709 0.971 8.162 1.00 0.00 N ATOM 0 H LYS A 53 -9.916 2.696 3.560 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.945 4.458 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.292 3.544 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.401 5.290 4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.611 4.637 6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.182 5.404 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.472 3.587 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.108 2.926 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.800 1.978 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.287 2.528 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.130 0.152 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.707 1.064 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.684 0.833 7.829 1.00 0.00 H new ATOM 803 N GLU A 54 -10.980 5.013 2.573 1.00 0.00 N ATOM 804 CA GLU A 54 -11.461 5.956 1.580 1.00 0.00 C ATOM 805 C GLU A 54 -12.954 6.231 1.762 1.00 0.00 C ATOM 806 O GLU A 54 -13.520 7.081 1.078 1.00 0.00 O ATOM 807 CB GLU A 54 -11.219 5.385 0.189 1.00 0.00 C ATOM 808 CG GLU A 54 -9.757 5.021 -0.053 1.00 0.00 C ATOM 809 CD GLU A 54 -9.465 4.950 -1.547 1.00 0.00 C ATOM 810 OE1 GLU A 54 -9.669 3.860 -2.124 1.00 0.00 O ATOM 811 OE2 GLU A 54 -9.041 5.988 -2.104 1.00 0.00 O ATOM 0 H GLU A 54 -10.863 4.062 2.223 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.921 6.895 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.837 4.498 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.536 6.113 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.109 5.762 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.533 4.062 0.413 1.00 0.00 H new ATOM 818 N ILE A 55 -13.595 5.506 2.684 1.00 0.00 N ATOM 819 CA ILE A 55 -15.017 5.641 2.962 1.00 0.00 C ATOM 820 C ILE A 55 -15.310 6.987 3.627 1.00 0.00 C ATOM 821 O ILE A 55 -16.461 7.407 3.696 1.00 0.00 O ATOM 822 CB ILE A 55 -15.458 4.464 3.847 1.00 0.00 C ATOM 823 CG1 ILE A 55 -15.081 3.112 3.218 1.00 0.00 C ATOM 824 CG2 ILE A 55 -16.967 4.499 4.111 1.00 0.00 C ATOM 825 CD1 ILE A 55 -15.696 2.905 1.833 1.00 0.00 C ATOM 0 H ILE A 55 -13.131 4.804 3.261 1.00 0.00 H new ATOM 0 HA ILE A 55 -15.584 5.617 2.031 1.00 0.00 H new ATOM 0 HB ILE A 55 -14.930 4.570 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.996 3.043 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -15.406 2.307 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -17.246 3.653 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -17.226 5.429 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -17.504 4.440 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.393 1.934 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.783 2.943 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.351 3.690 1.161 1.00 0.00 H new ATOM 837 N GLY A 56 -14.270 7.668 4.117 1.00 0.00 N ATOM 838 CA GLY A 56 -14.425 8.967 4.761 1.00 0.00 C ATOM 839 C GLY A 56 -14.969 8.842 6.180 1.00 0.00 C ATOM 840 O GLY A 56 -15.319 9.846 6.796 1.00 0.00 O ATOM 0 H GLY A 56 -13.307 7.335 4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.462 9.476 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.098 9.587 4.169 1.00 0.00 H new ATOM 844 N THR A 57 -15.042 7.615 6.703 1.00 0.00 N ATOM 845 CA THR A 57 -15.540 7.337 8.050 1.00 0.00 C ATOM 846 C THR A 57 -14.468 7.623 9.107 1.00 0.00 C ATOM 847 O THR A 57 -14.448 7.034 10.186 1.00 0.00 O ATOM 848 CB THR A 57 -16.103 5.912 8.105 1.00 0.00 C ATOM 849 OG1 THR A 57 -16.784 5.695 9.320 1.00 0.00 O ATOM 850 CG2 THR A 57 -14.992 4.873 7.954 1.00 0.00 C ATOM 0 H THR A 57 -14.753 6.778 6.196 1.00 0.00 H new ATOM 0 HA THR A 57 -16.362 8.012 8.288 1.00 0.00 H new ATOM 0 HB THR A 57 -16.801 5.803 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.209 5.958 10.069 1.00 0.00 H new ATOM 0 HG21 THR A 57 -15.422 3.872 7.997 1.00 0.00 H new ATOM 0 HG22 THR A 57 -14.491 5.012 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.270 4.993 8.761 1.00 0.00 H new ATOM 858 N PHE A 58 -13.564 8.543 8.780 1.00 0.00 N ATOM 859 CA PHE A 58 -12.430 8.901 9.617 1.00 0.00 C ATOM 860 C PHE A 58 -12.805 9.990 10.614 1.00 0.00 C ATOM 861 O PHE A 58 -12.250 10.051 11.708 1.00 0.00 O ATOM 862 CB PHE A 58 -11.326 9.381 8.683 1.00 0.00 C ATOM 863 CG PHE A 58 -9.933 9.237 9.248 1.00 0.00 C ATOM 864 CD1 PHE A 58 -9.416 10.208 10.116 1.00 0.00 C ATOM 865 CD2 PHE A 58 -9.164 8.118 8.900 1.00 0.00 C ATOM 866 CE1 PHE A 58 -8.119 10.060 10.633 1.00 0.00 C ATOM 867 CE2 PHE A 58 -7.871 7.971 9.415 1.00 0.00 C ATOM 868 CZ PHE A 58 -7.348 8.943 10.284 1.00 0.00 C ATOM 0 H PHE A 58 -13.603 9.069 7.907 1.00 0.00 H new ATOM 0 HA PHE A 58 -12.100 8.043 10.202 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -11.387 8.822 7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -11.501 10.429 8.440 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.013 11.067 10.386 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.569 7.370 8.235 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.715 10.807 11.300 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.276 7.111 9.145 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.351 8.829 10.683 1.00 0.00 H new ATOM 878 N THR A 59 -13.756 10.847 10.233 1.00 0.00 N ATOM 879 CA THR A 59 -14.294 11.888 11.087 1.00 0.00 C ATOM 880 C THR A 59 -15.595 11.414 11.726 1.00 0.00 C ATOM 881 O THR A 59 -16.441 12.209 12.127 1.00 0.00 O ATOM 882 CB THR A 59 -14.470 13.181 10.290 1.00 0.00 C ATOM 883 OG1 THR A 59 -15.253 12.945 9.139 1.00 0.00 O ATOM 884 CG2 THR A 59 -13.111 13.726 9.857 1.00 0.00 C ATOM 0 H THR A 59 -14.176 10.829 9.304 1.00 0.00 H new ATOM 0 HA THR A 59 -13.595 12.102 11.896 1.00 0.00 H new ATOM 0 HB THR A 59 -14.970 13.908 10.930 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.359 13.781 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.252 14.647 9.291 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.504 13.932 10.739 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.606 12.989 9.232 1.00 0.00 H new ATOM 892 N ASP A 60 -15.737 10.090 11.813 1.00 0.00 N ATOM 893 CA ASP A 60 -16.919 9.446 12.375 1.00 0.00 C ATOM 894 C ASP A 60 -16.922 9.494 13.899 1.00 0.00 C ATOM 895 O ASP A 60 -17.820 8.976 14.562 1.00 0.00 O ATOM 896 CB ASP A 60 -16.997 8.020 11.851 1.00 0.00 C ATOM 897 CG ASP A 60 -18.357 7.378 12.127 1.00 0.00 C ATOM 898 OD1 ASP A 60 -19.369 7.956 11.674 1.00 0.00 O ATOM 899 OD2 ASP A 60 -18.374 6.317 12.791 1.00 0.00 O ATOM 0 H ASP A 60 -15.027 9.432 11.492 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.808 9.991 12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.807 8.018 10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.213 7.421 12.314 1.00 0.00 H new ATOM 904 N GLU A 61 -15.888 10.130 14.434 1.00 0.00 N ATOM 905 CA GLU A 61 -15.699 10.361 15.855 1.00 0.00 C ATOM 906 C GLU A 61 -15.607 11.852 16.164 1.00 0.00 C ATOM 907 O GLU A 61 -15.102 12.245 17.215 1.00 0.00 O ATOM 908 CB GLU A 61 -14.480 9.580 16.342 1.00 0.00 C ATOM 909 CG GLU A 61 -13.203 10.002 15.638 1.00 0.00 C ATOM 910 CD GLU A 61 -11.993 9.263 16.206 1.00 0.00 C ATOM 911 OE1 GLU A 61 -11.782 8.096 15.802 1.00 0.00 O ATOM 912 OE2 GLU A 61 -11.285 9.869 17.043 1.00 0.00 O ATOM 0 H GLU A 61 -15.131 10.512 13.867 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.568 9.994 16.401 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.364 9.725 17.416 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.646 8.515 16.180 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.289 9.800 14.570 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.061 11.077 15.748 1.00 0.00 H new ATOM 919 N VAL A 62 -16.103 12.670 15.228 1.00 0.00 N ATOM 920 CA VAL A 62 -16.117 14.131 15.266 1.00 0.00 C ATOM 921 C VAL A 62 -14.810 14.701 15.826 1.00 0.00 C ATOM 922 O VAL A 62 -13.808 14.626 15.079 1.00 0.00 O ATOM 923 CB VAL A 62 -17.408 14.640 15.930 1.00 0.00 C ATOM 924 CG1 VAL A 62 -17.593 14.183 17.380 1.00 0.00 C ATOM 925 CG2 VAL A 62 -17.495 16.164 15.858 1.00 0.00 C ATOM 0 H VAL A 62 -16.529 12.305 14.376 1.00 0.00 H new ATOM 0 HA VAL A 62 -16.148 14.522 14.249 1.00 0.00 H new ATOM 0 HB VAL A 62 -18.218 14.189 15.357 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -18.527 14.586 17.772 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -17.623 13.094 17.417 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -16.760 14.544 17.984 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.417 16.499 16.334 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -16.640 16.602 16.374 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -17.490 16.480 14.815 1.00 0.00 H new TER 935 VAL A 62