USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 681 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.69) USER MOD Set 2.1: A 28 MET CE :methyl -178:sc= 0 (180deg=-0.0054) USER MOD Set 2.2: A 75 HIS : no HE2:sc= -0.0402 X(o=-0.04,f=-0.17) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -167:sc= 3.02 (180deg=1.71) USER MOD Set 3.2: A 89 SER OG : rot 180:sc= 0.89 USER MOD Single : A 1 GLU N :NH3+ 147:sc= 0.0425 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc=0.000837 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.393 K(o=0.39,f=-2.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 13 HIS : no HE2:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 14 MET CE :methyl -177:sc= 0 (180deg=-0.0144) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.991 (180deg=0.876) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=-0.42) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.1) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.221 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.180 5.976 10.267 1.00 0.00 N ATOM 2 CA GLU A 1 14.875 6.206 10.939 1.00 0.00 C ATOM 3 C GLU A 1 13.764 6.337 9.882 1.00 0.00 C ATOM 4 O GLU A 1 14.015 6.781 8.757 1.00 0.00 O ATOM 5 CB GLU A 1 14.953 7.431 11.881 1.00 0.00 C ATOM 6 CG GLU A 1 13.706 7.672 12.751 1.00 0.00 C ATOM 7 CD GLU A 1 13.336 6.457 13.623 1.00 0.00 C ATOM 8 OE1 GLU A 1 12.700 5.512 13.096 1.00 0.00 O ATOM 9 OE2 GLU A 1 13.685 6.437 14.830 1.00 0.00 O ATOM 0 H1 GLU A 1 16.939 6.421 10.822 1.00 0.00 H new ATOM 0 H2 GLU A 1 16.358 4.954 10.194 1.00 0.00 H new ATOM 0 H3 GLU A 1 16.158 6.392 9.314 1.00 0.00 H new ATOM 0 HA GLU A 1 14.630 5.350 11.568 1.00 0.00 H new ATOM 0 HB2 GLU A 1 15.815 7.310 12.537 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.133 8.321 11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 1 13.880 8.534 13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 1 12.863 7.920 12.107 1.00 0.00 H new ATOM 18 N ASP A 2 12.537 5.929 10.219 1.00 0.00 N ATOM 19 CA ASP A 2 11.380 5.992 9.323 1.00 0.00 C ATOM 20 C ASP A 2 10.980 7.448 9.055 1.00 0.00 C ATOM 21 O ASP A 2 10.998 8.280 9.970 1.00 0.00 O ATOM 22 CB ASP A 2 10.199 5.222 9.921 1.00 0.00 C ATOM 23 CG ASP A 2 8.965 5.326 9.009 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.014 4.803 7.870 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.949 5.933 9.428 1.00 0.00 O ATOM 0 H ASP A 2 12.317 5.540 11.136 1.00 0.00 H new ATOM 0 HA ASP A 2 11.657 5.530 8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.471 4.175 10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.962 5.619 10.908 1.00 0.00 H new ATOM 30 N ARG A 3 10.609 7.762 7.809 1.00 0.00 N ATOM 31 CA ARG A 3 10.113 9.076 7.402 1.00 0.00 C ATOM 32 C ARG A 3 9.123 8.880 6.252 1.00 0.00 C ATOM 33 O ARG A 3 9.300 7.962 5.442 1.00 0.00 O ATOM 34 CB ARG A 3 11.302 9.969 6.984 1.00 0.00 C ATOM 35 CG ARG A 3 10.965 11.465 6.902 1.00 0.00 C ATOM 36 CD ARG A 3 10.740 12.101 8.284 1.00 0.00 C ATOM 37 NE ARG A 3 10.486 13.552 8.174 1.00 0.00 N ATOM 38 CZ ARG A 3 10.279 14.394 9.199 1.00 0.00 C ATOM 39 NH1 ARG A 3 10.278 13.947 10.455 1.00 0.00 N ATOM 40 NH2 ARG A 3 10.072 15.686 8.958 1.00 0.00 N ATOM 0 H ARG A 3 10.647 7.093 7.040 1.00 0.00 H new ATOM 0 HA ARG A 3 9.601 9.573 8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.115 9.829 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.668 9.636 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.775 11.988 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.069 11.598 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.895 11.618 8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.614 11.930 8.912 1.00 0.00 H new ATOM 0 HE ARG A 3 10.466 13.950 7.235 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.435 12.957 10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.120 14.595 11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.071 16.032 7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.914 16.330 9.733 1.00 0.00 H new ATOM 54 N SER A 4 8.103 9.733 6.170 1.00 0.00 N ATOM 55 CA SER A 4 7.135 9.728 5.080 1.00 0.00 C ATOM 56 C SER A 4 7.834 9.980 3.736 1.00 0.00 C ATOM 57 O SER A 4 8.824 10.719 3.675 1.00 0.00 O ATOM 58 CB SER A 4 6.071 10.806 5.338 1.00 0.00 C ATOM 59 OG SER A 4 5.575 10.711 6.670 1.00 0.00 O ATOM 0 H SER A 4 7.926 10.455 6.868 1.00 0.00 H new ATOM 0 HA SER A 4 6.655 8.750 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.499 11.795 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.251 10.692 4.629 1.00 0.00 H new ATOM 0 HG SER A 4 4.900 11.406 6.818 1.00 0.00 H new ATOM 65 N LYS A 5 7.307 9.405 2.647 1.00 0.00 N ATOM 66 CA LYS A 5 7.799 9.692 1.301 1.00 0.00 C ATOM 67 C LYS A 5 7.238 11.048 0.884 1.00 0.00 C ATOM 68 O LYS A 5 6.017 11.194 0.778 1.00 0.00 O ATOM 69 CB LYS A 5 7.414 8.549 0.342 1.00 0.00 C ATOM 70 CG LYS A 5 8.161 8.655 -0.996 1.00 0.00 C ATOM 71 CD LYS A 5 7.605 7.655 -2.019 1.00 0.00 C ATOM 72 CE LYS A 5 8.325 7.799 -3.368 1.00 0.00 C ATOM 73 NZ LYS A 5 7.741 6.889 -4.379 1.00 0.00 N ATOM 0 H LYS A 5 6.537 8.736 2.677 1.00 0.00 H new ATOM 0 HA LYS A 5 8.887 9.748 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.639 7.590 0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.339 8.572 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.071 9.668 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.223 8.467 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.726 6.639 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.536 7.821 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.252 8.830 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.385 7.579 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.370 6.839 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.631 5.940 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.811 7.249 -4.674 1.00 0.00 H new ATOM 87 N THR A 6 8.103 12.030 0.642 1.00 0.00 N ATOM 88 CA THR A 6 7.695 13.401 0.345 1.00 0.00 C ATOM 89 C THR A 6 7.015 13.510 -1.023 1.00 0.00 C ATOM 90 O THR A 6 6.107 14.322 -1.196 1.00 0.00 O ATOM 91 CB THR A 6 8.946 14.294 0.424 1.00 0.00 C ATOM 92 OG1 THR A 6 9.518 14.191 1.722 1.00 0.00 O ATOM 93 CG2 THR A 6 8.638 15.760 0.103 1.00 0.00 C ATOM 0 H THR A 6 9.114 11.896 0.646 1.00 0.00 H new ATOM 0 HA THR A 6 6.955 13.729 1.075 1.00 0.00 H new ATOM 0 HB THR A 6 9.652 13.943 -0.328 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.316 14.758 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.553 16.348 0.173 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.235 15.834 -0.907 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.906 16.142 0.815 1.00 0.00 H new ATOM 101 N THR A 7 7.437 12.711 -1.996 1.00 0.00 N ATOM 102 CA THR A 7 7.028 12.864 -3.385 1.00 0.00 C ATOM 103 C THR A 7 6.475 11.556 -3.938 1.00 0.00 C ATOM 104 O THR A 7 6.644 10.484 -3.355 1.00 0.00 O ATOM 105 CB THR A 7 8.215 13.400 -4.209 1.00 0.00 C ATOM 106 OG1 THR A 7 9.370 12.612 -3.965 1.00 0.00 O ATOM 107 CG2 THR A 7 8.537 14.848 -3.830 1.00 0.00 C ATOM 0 H THR A 7 8.078 11.933 -1.841 1.00 0.00 H new ATOM 0 HA THR A 7 6.217 13.589 -3.452 1.00 0.00 H new ATOM 0 HB THR A 7 7.935 13.353 -5.261 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.119 12.958 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.378 15.202 -4.426 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.667 15.476 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.795 14.898 -2.772 1.00 0.00 H new ATOM 115 N ASN A 8 5.813 11.656 -5.081 1.00 0.00 N ATOM 116 CA ASN A 8 5.389 10.514 -5.893 1.00 0.00 C ATOM 117 C ASN A 8 5.990 10.764 -7.254 1.00 0.00 C ATOM 118 O ASN A 8 5.842 11.865 -7.780 1.00 0.00 O ATOM 119 CB ASN A 8 3.859 10.416 -5.971 1.00 0.00 C ATOM 120 CG ASN A 8 3.183 10.237 -4.618 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.536 11.153 -4.118 1.00 0.00 O ATOM 122 ND2 ASN A 8 3.322 9.085 -3.987 1.00 0.00 N ATOM 0 H ASN A 8 5.547 12.554 -5.484 1.00 0.00 H new ATOM 0 HA ASN A 8 5.720 9.568 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.470 11.318 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.591 9.578 -6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.889 8.948 -3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.862 8.332 -4.413 1.00 0.00 H new ATOM 129 N THR A 9 6.681 9.769 -7.800 1.00 0.00 N ATOM 130 CA THR A 9 7.273 9.857 -9.124 1.00 0.00 C ATOM 131 C THR A 9 6.559 8.850 -10.006 1.00 0.00 C ATOM 132 O THR A 9 6.211 7.765 -9.544 1.00 0.00 O ATOM 133 CB THR A 9 8.798 9.652 -9.064 1.00 0.00 C ATOM 134 OG1 THR A 9 9.387 10.596 -8.188 1.00 0.00 O ATOM 135 CG2 THR A 9 9.470 9.735 -10.445 1.00 0.00 C ATOM 0 H THR A 9 6.845 8.877 -7.333 1.00 0.00 H new ATOM 0 HA THR A 9 7.143 10.851 -9.552 1.00 0.00 H new ATOM 0 HB THR A 9 8.961 8.642 -8.688 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.356 10.454 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.544 9.583 -10.337 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.058 8.965 -11.097 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.285 10.717 -10.881 1.00 0.00 H new ATOM 143 N TRP A 10 6.392 9.183 -11.281 1.00 0.00 N ATOM 144 CA TRP A 10 5.901 8.299 -12.320 1.00 0.00 C ATOM 145 C TRP A 10 6.771 8.512 -13.554 1.00 0.00 C ATOM 146 O TRP A 10 7.454 9.531 -13.666 1.00 0.00 O ATOM 147 CB TRP A 10 4.434 8.634 -12.606 1.00 0.00 C ATOM 148 CG TRP A 10 3.515 8.475 -11.438 1.00 0.00 C ATOM 149 CD1 TRP A 10 2.887 7.336 -11.095 1.00 0.00 C ATOM 150 CD2 TRP A 10 3.073 9.468 -10.469 1.00 0.00 C ATOM 151 NE1 TRP A 10 2.112 7.542 -9.973 1.00 0.00 N ATOM 152 CE2 TRP A 10 2.147 8.860 -9.573 1.00 0.00 C ATOM 153 CE3 TRP A 10 3.326 10.840 -10.296 1.00 0.00 C ATOM 154 CZ2 TRP A 10 1.478 9.589 -8.579 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.638 11.590 -9.324 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.707 10.971 -8.473 1.00 0.00 C ATOM 0 H TRP A 10 6.606 10.118 -11.629 1.00 0.00 H new ATOM 0 HA TRP A 10 5.953 7.253 -12.018 1.00 0.00 H new ATOM 0 HB2 TRP A 10 4.373 9.663 -12.960 1.00 0.00 H new ATOM 0 HB3 TRP A 10 4.082 7.996 -13.417 1.00 0.00 H new ATOM 0 HD1 TRP A 10 2.977 6.397 -11.621 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.580 6.811 -9.499 1.00 0.00 H new ATOM 0 HE3 TRP A 10 4.061 11.327 -10.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.796 9.094 -7.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.827 12.649 -9.232 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.170 11.555 -7.741 1.00 0.00 H new ATOM 167 N VAL A 11 6.736 7.576 -14.494 1.00 0.00 N ATOM 168 CA VAL A 11 7.329 7.734 -15.813 1.00 0.00 C ATOM 169 C VAL A 11 6.363 7.165 -16.852 1.00 0.00 C ATOM 170 O VAL A 11 5.645 6.204 -16.566 1.00 0.00 O ATOM 171 CB VAL A 11 8.754 7.137 -15.857 1.00 0.00 C ATOM 172 CG1 VAL A 11 8.771 5.622 -15.607 1.00 0.00 C ATOM 173 CG2 VAL A 11 9.486 7.480 -17.169 1.00 0.00 C ATOM 0 H VAL A 11 6.287 6.671 -14.357 1.00 0.00 H new ATOM 0 HA VAL A 11 7.472 8.787 -16.054 1.00 0.00 H new ATOM 0 HB VAL A 11 9.296 7.607 -15.036 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.797 5.258 -15.650 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.352 5.411 -14.623 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.176 5.121 -16.370 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.483 7.040 -17.155 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.925 7.081 -18.014 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.569 8.562 -17.267 1.00 0.00 H new ATOM 183 N LEU A 12 6.339 7.757 -18.047 1.00 0.00 N ATOM 184 CA LEU A 12 5.643 7.220 -19.209 1.00 0.00 C ATOM 185 C LEU A 12 6.548 7.346 -20.417 1.00 0.00 C ATOM 186 O LEU A 12 7.357 8.270 -20.476 1.00 0.00 O ATOM 187 CB LEU A 12 4.351 7.988 -19.531 1.00 0.00 C ATOM 188 CG LEU A 12 3.207 7.744 -18.534 1.00 0.00 C ATOM 189 CD1 LEU A 12 3.165 8.857 -17.481 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.889 7.690 -19.308 1.00 0.00 C ATOM 0 H LEU A 12 6.813 8.640 -18.234 1.00 0.00 H new ATOM 0 HA LEU A 12 5.388 6.185 -18.981 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.573 9.055 -19.558 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.014 7.707 -20.529 1.00 0.00 H new ATOM 0 HG LEU A 12 3.368 6.800 -18.014 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.349 8.668 -16.784 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.109 8.879 -16.937 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.007 9.817 -17.972 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.066 7.517 -18.614 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.733 8.636 -19.827 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.927 6.879 -20.035 1.00 0.00 H new ATOM 202 N HIS A 13 6.344 6.470 -21.400 1.00 0.00 N ATOM 203 CA HIS A 13 6.950 6.570 -22.711 1.00 0.00 C ATOM 204 C HIS A 13 5.843 7.018 -23.662 1.00 0.00 C ATOM 205 O HIS A 13 4.827 6.326 -23.777 1.00 0.00 O ATOM 206 CB HIS A 13 7.590 5.238 -23.121 1.00 0.00 C ATOM 207 CG HIS A 13 8.140 5.270 -24.527 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.656 4.566 -25.607 1.00 0.00 N ATOM 209 CD2 HIS A 13 9.187 6.030 -24.978 1.00 0.00 C ATOM 210 CE1 HIS A 13 8.400 4.887 -26.679 1.00 0.00 C ATOM 211 NE2 HIS A 13 9.351 5.778 -26.345 1.00 0.00 N ATOM 0 H HIS A 13 5.738 5.656 -21.297 1.00 0.00 H new ATOM 0 HA HIS A 13 7.765 7.293 -22.728 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.393 4.995 -22.425 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.849 4.443 -23.042 1.00 0.00 H new ATOM 0 HD1 HIS A 13 6.871 3.915 -25.595 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.782 6.706 -24.382 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.255 4.485 -27.671 1.00 0.00 H new ATOM 219 N MET A 14 6.011 8.176 -24.300 1.00 0.00 N ATOM 220 CA MET A 14 5.046 8.766 -25.218 1.00 0.00 C ATOM 221 C MET A 14 5.818 9.468 -26.334 1.00 0.00 C ATOM 222 O MET A 14 6.810 10.136 -26.061 1.00 0.00 O ATOM 223 CB MET A 14 4.114 9.763 -24.497 1.00 0.00 C ATOM 224 CG MET A 14 3.293 9.123 -23.367 1.00 0.00 C ATOM 225 SD MET A 14 2.014 10.172 -22.609 1.00 0.00 S ATOM 226 CE MET A 14 3.012 11.513 -21.912 1.00 0.00 C ATOM 0 H MET A 14 6.850 8.745 -24.186 1.00 0.00 H new ATOM 0 HA MET A 14 4.413 7.980 -25.630 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.712 10.576 -24.086 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.434 10.205 -25.225 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.813 8.226 -23.758 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.980 8.801 -22.584 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.366 12.204 -21.370 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.753 11.098 -21.229 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.519 12.046 -22.717 1.00 0.00 H new ATOM 236 N ASP A 15 5.367 9.321 -27.583 1.00 0.00 N ATOM 237 CA ASP A 15 5.921 10.006 -28.762 1.00 0.00 C ATOM 238 C ASP A 15 7.458 9.910 -28.865 1.00 0.00 C ATOM 239 O ASP A 15 8.145 10.852 -29.271 1.00 0.00 O ATOM 240 CB ASP A 15 5.373 11.441 -28.858 1.00 0.00 C ATOM 241 CG ASP A 15 5.696 12.100 -30.212 1.00 0.00 C ATOM 242 OD1 ASP A 15 5.531 11.448 -31.274 1.00 0.00 O ATOM 243 OD2 ASP A 15 6.048 13.305 -30.234 1.00 0.00 O ATOM 0 H ASP A 15 4.586 8.707 -27.812 1.00 0.00 H new ATOM 0 HA ASP A 15 5.574 9.473 -29.647 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.293 11.426 -28.712 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.795 12.043 -28.053 1.00 0.00 H new ATOM 248 N GLY A 16 8.009 8.751 -28.486 1.00 0.00 N ATOM 249 CA GLY A 16 9.436 8.461 -28.583 1.00 0.00 C ATOM 250 C GLY A 16 10.286 9.094 -27.470 1.00 0.00 C ATOM 251 O GLY A 16 11.516 9.068 -27.574 1.00 0.00 O ATOM 0 H GLY A 16 7.465 7.980 -28.098 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.578 7.380 -28.563 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.802 8.812 -29.548 1.00 0.00 H new ATOM 255 N GLU A 17 9.679 9.650 -26.418 1.00 0.00 N ATOM 256 CA GLU A 17 10.348 10.233 -25.266 1.00 0.00 C ATOM 257 C GLU A 17 9.828 9.600 -23.977 1.00 0.00 C ATOM 258 O GLU A 17 8.680 9.163 -23.900 1.00 0.00 O ATOM 259 CB GLU A 17 10.181 11.764 -25.232 1.00 0.00 C ATOM 260 CG GLU A 17 11.161 12.448 -26.193 1.00 0.00 C ATOM 261 CD GLU A 17 11.067 13.983 -26.103 1.00 0.00 C ATOM 262 OE1 GLU A 17 11.762 14.587 -25.248 1.00 0.00 O ATOM 263 OE2 GLU A 17 10.331 14.605 -26.909 1.00 0.00 O ATOM 0 H GLU A 17 8.663 9.705 -26.349 1.00 0.00 H new ATOM 0 HA GLU A 17 11.414 10.024 -25.353 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.158 12.027 -25.502 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.347 12.129 -24.218 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.178 12.131 -25.962 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.952 12.130 -27.214 1.00 0.00 H new ATOM 270 N ASN A 18 10.680 9.551 -22.948 1.00 0.00 N ATOM 271 CA ASN A 18 10.289 9.180 -21.597 1.00 0.00 C ATOM 272 C ASN A 18 10.082 10.472 -20.817 1.00 0.00 C ATOM 273 O ASN A 18 11.009 11.279 -20.713 1.00 0.00 O ATOM 274 CB ASN A 18 11.310 8.258 -20.915 1.00 0.00 C ATOM 275 CG ASN A 18 11.026 6.790 -21.213 1.00 0.00 C ATOM 276 OD1 ASN A 18 10.289 6.129 -20.488 1.00 0.00 O ATOM 277 ND2 ASN A 18 11.577 6.252 -22.289 1.00 0.00 N ATOM 0 H ASN A 18 11.672 9.772 -23.038 1.00 0.00 H new ATOM 0 HA ASN A 18 9.367 8.599 -21.629 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.314 8.511 -21.255 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.287 8.422 -19.838 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.391 5.277 -22.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.188 6.812 -22.883 1.00 0.00 H new ATOM 284 N PHE A 19 8.887 10.657 -20.258 1.00 0.00 N ATOM 285 CA PHE A 19 8.530 11.810 -19.442 1.00 0.00 C ATOM 286 C PHE A 19 8.458 11.357 -17.992 1.00 0.00 C ATOM 287 O PHE A 19 7.601 10.542 -17.646 1.00 0.00 O ATOM 288 CB PHE A 19 7.189 12.402 -19.915 1.00 0.00 C ATOM 289 CG PHE A 19 7.249 12.990 -21.310 1.00 0.00 C ATOM 290 CD1 PHE A 19 7.671 14.320 -21.500 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.913 12.198 -22.424 1.00 0.00 C ATOM 292 CE1 PHE A 19 7.785 14.846 -22.800 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.016 12.728 -23.720 1.00 0.00 C ATOM 294 CZ PHE A 19 7.466 14.045 -23.911 1.00 0.00 C ATOM 0 H PHE A 19 8.123 9.990 -20.365 1.00 0.00 H new ATOM 0 HA PHE A 19 9.280 12.595 -19.538 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.427 11.623 -19.890 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.876 13.177 -19.215 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.908 14.938 -20.646 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.576 11.182 -22.282 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.117 15.863 -22.944 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.748 12.121 -24.573 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.567 14.442 -24.910 1.00 0.00 H new ATOM 304 N ARG A 20 9.364 11.848 -17.142 1.00 0.00 N ATOM 305 CA ARG A 20 9.252 11.673 -15.699 1.00 0.00 C ATOM 306 C ARG A 20 8.279 12.708 -15.172 1.00 0.00 C ATOM 307 O ARG A 20 8.288 13.853 -15.620 1.00 0.00 O ATOM 308 CB ARG A 20 10.611 11.747 -14.989 1.00 0.00 C ATOM 309 CG ARG A 20 11.345 10.403 -15.128 1.00 0.00 C ATOM 310 CD ARG A 20 11.944 9.981 -13.788 1.00 0.00 C ATOM 311 NE ARG A 20 12.678 8.705 -13.900 1.00 0.00 N ATOM 312 CZ ARG A 20 13.422 8.126 -12.943 1.00 0.00 C ATOM 313 NH1 ARG A 20 13.560 8.698 -11.749 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.026 6.967 -13.187 1.00 0.00 N ATOM 0 H ARG A 20 10.188 12.373 -17.435 1.00 0.00 H new ATOM 0 HA ARG A 20 8.876 10.672 -15.488 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.213 12.547 -15.419 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.469 11.987 -13.935 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.653 9.638 -15.481 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.134 10.488 -15.875 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.618 10.759 -13.429 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.149 9.881 -13.049 1.00 0.00 H new ATOM 0 HE ARG A 20 12.614 8.215 -14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.098 9.586 -11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.128 8.248 -11.031 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.924 6.521 -14.098 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.592 6.524 -12.463 1.00 0.00 H new ATOM 328 N ILE A 21 7.486 12.308 -14.194 1.00 0.00 N ATOM 329 CA ILE A 21 6.557 13.146 -13.460 1.00 0.00 C ATOM 330 C ILE A 21 6.978 13.019 -12.010 1.00 0.00 C ATOM 331 O ILE A 21 7.170 11.896 -11.559 1.00 0.00 O ATOM 332 CB ILE A 21 5.102 12.672 -13.657 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.697 12.679 -15.141 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.090 13.462 -12.801 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.624 14.051 -15.811 1.00 0.00 C ATOM 0 H ILE A 21 7.473 11.339 -13.875 1.00 0.00 H new ATOM 0 HA ILE A 21 6.583 14.180 -13.805 1.00 0.00 H new ATOM 0 HB ILE A 21 5.072 11.641 -13.304 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.408 12.065 -15.694 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.722 12.200 -15.233 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.085 13.082 -12.983 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.336 13.345 -11.746 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.133 14.518 -13.068 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.329 13.932 -16.854 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.889 14.669 -15.295 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.601 14.532 -15.763 1.00 0.00 H new ATOM 347 N VAL A 22 7.084 14.115 -11.269 1.00 0.00 N ATOM 348 CA VAL A 22 7.263 14.089 -9.835 1.00 0.00 C ATOM 349 C VAL A 22 6.243 15.067 -9.263 1.00 0.00 C ATOM 350 O VAL A 22 6.267 16.249 -9.594 1.00 0.00 O ATOM 351 CB VAL A 22 8.720 14.412 -9.443 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.916 14.252 -7.928 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.739 13.512 -10.148 1.00 0.00 C ATOM 0 H VAL A 22 7.047 15.057 -11.659 1.00 0.00 H new ATOM 0 HA VAL A 22 7.090 13.096 -9.420 1.00 0.00 H new ATOM 0 HB VAL A 22 8.893 15.442 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.949 14.484 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.248 14.933 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.690 13.226 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.746 13.786 -9.833 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.548 12.471 -9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.650 13.637 -11.227 1.00 0.00 H new ATOM 363 N LEU A 23 5.336 14.587 -8.416 1.00 0.00 N ATOM 364 CA LEU A 23 4.445 15.430 -7.629 1.00 0.00 C ATOM 365 C LEU A 23 5.182 15.762 -6.336 1.00 0.00 C ATOM 366 O LEU A 23 5.627 14.850 -5.632 1.00 0.00 O ATOM 367 CB LEU A 23 3.138 14.670 -7.330 1.00 0.00 C ATOM 368 CG LEU A 23 2.322 15.202 -6.121 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.767 16.613 -6.329 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.155 14.273 -5.774 1.00 0.00 C ATOM 0 H LEU A 23 5.199 13.589 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 23 4.182 16.342 -8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.506 14.705 -8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.379 13.622 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 23 3.037 15.235 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.209 16.918 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.591 17.307 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.106 16.620 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.608 14.679 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.486 14.193 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.539 13.285 -5.521 1.00 0.00 H new ATOM 382 N GLU A 24 5.276 17.044 -6.007 1.00 0.00 N ATOM 383 CA GLU A 24 5.727 17.530 -4.724 1.00 0.00 C ATOM 384 C GLU A 24 4.491 17.763 -3.860 1.00 0.00 C ATOM 385 O GLU A 24 3.685 18.651 -4.151 1.00 0.00 O ATOM 386 CB GLU A 24 6.580 18.797 -4.913 1.00 0.00 C ATOM 387 CG GLU A 24 8.030 18.529 -4.521 1.00 0.00 C ATOM 388 CD GLU A 24 8.256 18.335 -3.003 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.275 18.141 -2.246 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.435 18.384 -2.578 1.00 0.00 O ATOM 0 H GLU A 24 5.030 17.794 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 24 6.369 16.807 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.532 19.123 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.177 19.608 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.376 17.638 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.646 19.360 -4.864 1.00 0.00 H new ATOM 397 N LYS A 25 4.320 16.962 -2.803 1.00 0.00 N ATOM 398 CA LYS A 25 3.122 17.032 -1.963 1.00 0.00 C ATOM 399 C LYS A 25 3.062 18.342 -1.172 1.00 0.00 C ATOM 400 O LYS A 25 1.973 18.772 -0.796 1.00 0.00 O ATOM 401 CB LYS A 25 3.082 15.855 -0.984 1.00 0.00 C ATOM 402 CG LYS A 25 2.934 14.476 -1.648 1.00 0.00 C ATOM 403 CD LYS A 25 2.972 13.412 -0.542 1.00 0.00 C ATOM 404 CE LYS A 25 3.011 11.986 -1.106 1.00 0.00 C ATOM 405 NZ LYS A 25 3.251 10.982 -0.028 1.00 0.00 N ATOM 0 H LYS A 25 4.997 16.258 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 25 2.261 16.987 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.996 15.862 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.252 16.002 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.997 14.418 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.738 14.310 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.847 13.576 0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.096 13.524 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.069 11.765 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.797 11.911 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.055 10.028 -0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.242 11.037 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.623 11.180 0.777 1.00 0.00 H new ATOM 419 N ASP A 26 4.212 18.976 -0.912 1.00 0.00 N ATOM 420 CA ASP A 26 4.291 20.153 -0.046 1.00 0.00 C ATOM 421 C ASP A 26 3.495 21.331 -0.611 1.00 0.00 C ATOM 422 O ASP A 26 2.854 22.065 0.145 1.00 0.00 O ATOM 423 CB ASP A 26 5.754 20.567 0.139 1.00 0.00 C ATOM 424 CG ASP A 26 5.858 21.809 1.044 1.00 0.00 C ATOM 425 OD1 ASP A 26 5.645 21.682 2.274 1.00 0.00 O ATOM 426 OD2 ASP A 26 6.183 22.910 0.537 1.00 0.00 O ATOM 0 H ASP A 26 5.111 18.686 -1.297 1.00 0.00 H new ATOM 0 HA ASP A 26 3.855 19.883 0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.318 19.743 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.203 20.779 -0.831 1.00 0.00 H new ATOM 431 N ALA A 27 3.502 21.483 -1.943 1.00 0.00 N ATOM 432 CA ALA A 27 2.826 22.548 -2.668 1.00 0.00 C ATOM 433 C ALA A 27 1.790 22.025 -3.677 1.00 0.00 C ATOM 434 O ALA A 27 1.132 22.833 -4.339 1.00 0.00 O ATOM 435 CB ALA A 27 3.880 23.433 -3.348 1.00 0.00 C ATOM 0 H ALA A 27 3.999 20.840 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 27 2.256 23.139 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.384 24.235 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.538 23.862 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.468 22.831 -4.041 1.00 0.00 H new ATOM 441 N MET A 28 1.653 20.699 -3.820 1.00 0.00 N ATOM 442 CA MET A 28 0.883 20.046 -4.880 1.00 0.00 C ATOM 443 C MET A 28 1.339 20.534 -6.266 1.00 0.00 C ATOM 444 O MET A 28 0.538 20.653 -7.197 1.00 0.00 O ATOM 445 CB MET A 28 -0.635 20.095 -4.625 1.00 0.00 C ATOM 446 CG MET A 28 -1.025 19.333 -3.350 1.00 0.00 C ATOM 447 SD MET A 28 -0.660 17.551 -3.319 1.00 0.00 S ATOM 448 CE MET A 28 -1.816 16.926 -4.571 1.00 0.00 C ATOM 0 H MET A 28 2.089 20.035 -3.181 1.00 0.00 H new ATOM 0 HA MET A 28 1.102 18.978 -4.865 1.00 0.00 H new ATOM 0 HB2 MET A 28 -0.956 21.133 -4.540 1.00 0.00 H new ATOM 0 HB3 MET A 28 -1.161 19.668 -5.479 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.516 19.799 -2.506 1.00 0.00 H new ATOM 0 HG3 MET A 28 -2.095 19.464 -3.189 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.731 15.841 -4.636 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.835 17.194 -4.291 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.578 17.367 -5.539 1.00 0.00 H new ATOM 458 N ASP A 29 2.635 20.844 -6.396 1.00 0.00 N ATOM 459 CA ASP A 29 3.261 21.236 -7.654 1.00 0.00 C ATOM 460 C ASP A 29 3.738 19.961 -8.344 1.00 0.00 C ATOM 461 O ASP A 29 4.130 19.009 -7.664 1.00 0.00 O ATOM 462 CB ASP A 29 4.423 22.217 -7.429 1.00 0.00 C ATOM 463 CG ASP A 29 4.721 23.082 -8.672 1.00 0.00 C ATOM 464 OD1 ASP A 29 4.445 22.658 -9.819 1.00 0.00 O ATOM 465 OD2 ASP A 29 5.215 24.220 -8.487 1.00 0.00 O ATOM 0 H ASP A 29 3.286 20.827 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 29 2.541 21.761 -8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.186 22.867 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.318 21.657 -7.158 1.00 0.00 H new ATOM 470 N VAL A 30 3.704 19.904 -9.670 1.00 0.00 N ATOM 471 CA VAL A 30 4.072 18.715 -10.414 1.00 0.00 C ATOM 472 C VAL A 30 5.141 19.124 -11.423 1.00 0.00 C ATOM 473 O VAL A 30 4.909 19.929 -12.330 1.00 0.00 O ATOM 474 CB VAL A 30 2.832 18.034 -11.022 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.225 16.754 -11.770 1.00 0.00 C ATOM 476 CG2 VAL A 30 1.768 17.674 -9.974 1.00 0.00 C ATOM 0 H VAL A 30 3.419 20.687 -10.258 1.00 0.00 H new ATOM 0 HA VAL A 30 4.498 17.947 -9.768 1.00 0.00 H new ATOM 0 HB VAL A 30 2.402 18.764 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.333 16.290 -12.191 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.919 17.001 -12.573 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.702 16.060 -11.078 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.920 17.197 -10.465 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.195 16.989 -9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.433 18.580 -9.470 1.00 0.00 H new ATOM 486 N TRP A 31 6.322 18.539 -11.247 1.00 0.00 N ATOM 487 CA TRP A 31 7.459 18.665 -12.121 1.00 0.00 C ATOM 488 C TRP A 31 7.302 17.623 -13.232 1.00 0.00 C ATOM 489 O TRP A 31 7.193 16.434 -12.931 1.00 0.00 O ATOM 490 CB TRP A 31 8.745 18.406 -11.307 1.00 0.00 C ATOM 491 CG TRP A 31 8.810 18.933 -9.897 1.00 0.00 C ATOM 492 CD1 TRP A 31 8.611 18.217 -8.767 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.158 20.270 -9.430 1.00 0.00 C ATOM 494 NE1 TRP A 31 8.834 18.998 -7.657 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.185 20.281 -8.004 1.00 0.00 C ATOM 496 CE3 TRP A 31 9.478 21.473 -10.079 1.00 0.00 C ATOM 497 CZ2 TRP A 31 9.522 21.420 -7.258 1.00 0.00 C ATOM 498 CZ3 TRP A 31 9.842 22.620 -9.346 1.00 0.00 C ATOM 499 CH2 TRP A 31 9.858 22.600 -7.940 1.00 0.00 C ATOM 0 H TRP A 31 6.510 17.936 -10.446 1.00 0.00 H new ATOM 0 HA TRP A 31 7.522 19.662 -12.557 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.904 17.328 -11.268 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.582 18.831 -11.861 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.318 17.178 -8.740 1.00 0.00 H new ATOM 0 HE1 TRP A 31 8.749 18.666 -6.696 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.445 21.520 -11.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 9.523 21.390 -6.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.112 23.525 -9.870 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.127 23.488 -7.388 1.00 0.00 H new ATOM 510 N CYS A 32 7.285 18.027 -14.501 1.00 0.00 N ATOM 511 CA CYS A 32 7.379 17.128 -15.642 1.00 0.00 C ATOM 512 C CYS A 32 8.760 17.364 -16.247 1.00 0.00 C ATOM 513 O CYS A 32 9.069 18.483 -16.660 1.00 0.00 O ATOM 514 CB CYS A 32 6.238 17.388 -16.628 1.00 0.00 C ATOM 515 SG CYS A 32 6.371 16.277 -18.061 1.00 0.00 S ATOM 0 H CYS A 32 7.204 19.009 -14.766 1.00 0.00 H new ATOM 0 HA CYS A 32 7.274 16.081 -15.357 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.279 17.238 -16.132 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.266 18.426 -16.961 1.00 0.00 H new ATOM 0 HG CYS A 32 5.393 16.512 -18.884 1.00 0.00 H new ATOM 521 N ASN A 33 9.591 16.317 -16.254 1.00 0.00 N ATOM 522 CA ASN A 33 10.959 16.303 -16.780 1.00 0.00 C ATOM 523 C ASN A 33 11.754 17.570 -16.397 1.00 0.00 C ATOM 524 O ASN A 33 12.341 18.250 -17.241 1.00 0.00 O ATOM 525 CB ASN A 33 10.941 15.972 -18.282 1.00 0.00 C ATOM 526 CG ASN A 33 12.265 15.375 -18.773 1.00 0.00 C ATOM 527 OD1 ASN A 33 13.309 15.476 -18.135 1.00 0.00 O ATOM 528 ND2 ASN A 33 12.236 14.683 -19.903 1.00 0.00 N ATOM 0 H ASN A 33 9.314 15.412 -15.874 1.00 0.00 H new ATOM 0 HA ASN A 33 11.519 15.502 -16.298 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.133 15.269 -18.485 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.724 16.879 -18.847 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.084 14.231 -20.246 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.366 14.602 -20.429 1.00 0.00 H new ATOM 535 N GLY A 34 11.710 17.916 -15.102 1.00 0.00 N ATOM 536 CA GLY A 34 12.479 19.012 -14.511 1.00 0.00 C ATOM 537 C GLY A 34 11.837 20.404 -14.613 1.00 0.00 C ATOM 538 O GLY A 34 12.387 21.349 -14.046 1.00 0.00 O ATOM 0 H GLY A 34 11.124 17.428 -14.424 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.649 18.786 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.457 19.046 -14.992 1.00 0.00 H new ATOM 542 N LYS A 35 10.688 20.560 -15.287 1.00 0.00 N ATOM 543 CA LYS A 35 9.983 21.842 -15.421 1.00 0.00 C ATOM 544 C LYS A 35 8.650 21.765 -14.686 1.00 0.00 C ATOM 545 O LYS A 35 7.991 20.726 -14.727 1.00 0.00 O ATOM 546 CB LYS A 35 9.772 22.166 -16.912 1.00 0.00 C ATOM 547 CG LYS A 35 11.095 22.371 -17.668 1.00 0.00 C ATOM 548 CD LYS A 35 10.834 22.588 -19.166 1.00 0.00 C ATOM 549 CE LYS A 35 12.125 22.725 -19.992 1.00 0.00 C ATOM 550 NZ LYS A 35 12.870 23.987 -19.722 1.00 0.00 N ATOM 0 H LYS A 35 10.217 19.789 -15.760 1.00 0.00 H new ATOM 0 HA LYS A 35 10.579 22.641 -14.979 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.213 21.356 -17.380 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.164 23.066 -17.001 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.625 23.230 -17.258 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.739 21.503 -17.528 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.251 21.752 -19.552 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.230 23.486 -19.297 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.775 21.876 -19.780 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.876 22.679 -21.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.728 24.016 -20.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.266 24.802 -19.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.137 24.024 -18.718 1.00 0.00 H new ATOM 564 N LYS A 36 8.209 22.842 -14.031 1.00 0.00 N ATOM 565 CA LYS A 36 6.857 22.893 -13.473 1.00 0.00 C ATOM 566 C LYS A 36 5.854 22.933 -14.624 1.00 0.00 C ATOM 567 O LYS A 36 6.150 23.513 -15.674 1.00 0.00 O ATOM 568 CB LYS A 36 6.679 24.138 -12.593 1.00 0.00 C ATOM 569 CG LYS A 36 7.658 24.187 -11.411 1.00 0.00 C ATOM 570 CD LYS A 36 8.077 25.621 -11.068 1.00 0.00 C ATOM 571 CE LYS A 36 6.887 26.501 -10.648 1.00 0.00 C ATOM 572 NZ LYS A 36 7.301 27.879 -10.268 1.00 0.00 N ATOM 0 H LYS A 36 8.764 23.684 -13.875 1.00 0.00 H new ATOM 0 HA LYS A 36 6.691 22.010 -12.855 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.813 25.030 -13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.658 24.163 -12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.195 23.727 -10.538 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.544 23.598 -11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.810 25.598 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.568 26.069 -11.932 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.171 26.554 -11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.374 26.035 -9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.463 28.430 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.963 27.834 -9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.767 28.337 -11.077 1.00 0.00 H new ATOM 586 N LEU A 37 4.663 22.369 -14.422 1.00 0.00 N ATOM 587 CA LEU A 37 3.525 22.509 -15.322 1.00 0.00 C ATOM 588 C LEU A 37 2.296 23.007 -14.560 1.00 0.00 C ATOM 589 O LEU A 37 2.274 23.033 -13.327 1.00 0.00 O ATOM 590 CB LEU A 37 3.288 21.256 -16.176 1.00 0.00 C ATOM 591 CG LEU A 37 3.117 19.930 -15.431 1.00 0.00 C ATOM 592 CD1 LEU A 37 1.879 19.837 -14.540 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.058 18.793 -16.458 1.00 0.00 C ATOM 0 H LEU A 37 4.461 21.789 -13.608 1.00 0.00 H new ATOM 0 HA LEU A 37 3.758 23.280 -16.057 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.397 21.422 -16.781 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.126 21.152 -16.865 1.00 0.00 H new ATOM 0 HG LEU A 37 3.975 19.856 -14.763 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.850 18.860 -14.058 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.919 20.616 -13.779 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.983 19.968 -15.147 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.936 17.841 -15.941 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.214 18.952 -17.129 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.982 18.776 -17.036 1.00 0.00 H new ATOM 605 N GLU A 38 1.294 23.455 -15.314 1.00 0.00 N ATOM 606 CA GLU A 38 0.053 24.006 -14.790 1.00 0.00 C ATOM 607 C GLU A 38 -0.844 22.882 -14.264 1.00 0.00 C ATOM 608 O GLU A 38 -0.868 21.788 -14.828 1.00 0.00 O ATOM 609 CB GLU A 38 -0.655 24.851 -15.860 1.00 0.00 C ATOM 610 CG GLU A 38 -1.092 24.047 -17.097 1.00 0.00 C ATOM 611 CD GLU A 38 -1.642 24.973 -18.197 1.00 0.00 C ATOM 612 OE1 GLU A 38 -2.861 25.273 -18.187 1.00 0.00 O ATOM 613 OE2 GLU A 38 -0.861 25.406 -19.081 1.00 0.00 O ATOM 0 H GLU A 38 1.327 23.443 -16.333 1.00 0.00 H new ATOM 0 HA GLU A 38 0.281 24.666 -13.953 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.532 25.322 -15.416 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.012 25.653 -16.176 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.245 23.481 -17.484 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.855 23.323 -16.812 1.00 0.00 H new ATOM 620 N THR A 39 -1.608 23.163 -13.213 1.00 0.00 N ATOM 621 CA THR A 39 -2.481 22.201 -12.545 1.00 0.00 C ATOM 622 C THR A 39 -3.799 22.875 -12.154 1.00 0.00 C ATOM 623 O THR A 39 -3.846 24.082 -11.886 1.00 0.00 O ATOM 624 CB THR A 39 -1.772 21.584 -11.319 1.00 0.00 C ATOM 625 OG1 THR A 39 -0.972 22.533 -10.627 1.00 0.00 O ATOM 626 CG2 THR A 39 -0.894 20.395 -11.736 1.00 0.00 C ATOM 0 H THR A 39 -1.638 24.091 -12.790 1.00 0.00 H new ATOM 0 HA THR A 39 -2.709 21.387 -13.233 1.00 0.00 H new ATOM 0 HB THR A 39 -2.559 21.243 -10.646 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.544 22.101 -9.858 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.405 19.977 -10.856 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.515 19.631 -12.203 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.138 20.732 -12.445 1.00 0.00 H new ATOM 634 N ALA A 40 -4.870 22.081 -12.103 1.00 0.00 N ATOM 635 CA ALA A 40 -6.170 22.451 -11.555 1.00 0.00 C ATOM 636 C ALA A 40 -6.620 21.273 -10.694 1.00 0.00 C ATOM 637 O ALA A 40 -6.413 20.129 -11.097 1.00 0.00 O ATOM 638 CB ALA A 40 -7.172 22.737 -12.681 1.00 0.00 C ATOM 0 H ALA A 40 -4.851 21.125 -12.457 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.109 23.363 -10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.135 23.011 -12.250 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.803 23.557 -13.297 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.291 21.846 -13.297 1.00 0.00 H new ATOM 644 N GLY A 41 -7.190 21.532 -9.518 1.00 0.00 N ATOM 645 CA GLY A 41 -7.574 20.507 -8.560 1.00 0.00 C ATOM 646 C GLY A 41 -9.085 20.396 -8.606 1.00 0.00 C ATOM 647 O GLY A 41 -9.779 21.211 -7.996 1.00 0.00 O ATOM 0 H GLY A 41 -7.400 22.479 -9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.110 19.553 -8.810 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.238 20.772 -7.558 1.00 0.00 H new ATOM 651 N GLU A 42 -9.592 19.429 -9.365 1.00 0.00 N ATOM 652 CA GLU A 42 -11.012 19.168 -9.459 1.00 0.00 C ATOM 653 C GLU A 42 -11.396 18.216 -8.331 1.00 0.00 C ATOM 654 O GLU A 42 -10.637 17.303 -8.005 1.00 0.00 O ATOM 655 CB GLU A 42 -11.311 18.573 -10.834 1.00 0.00 C ATOM 656 CG GLU A 42 -12.786 18.281 -11.102 1.00 0.00 C ATOM 657 CD GLU A 42 -13.674 19.534 -10.974 1.00 0.00 C ATOM 658 OE1 GLU A 42 -14.055 19.895 -9.833 1.00 0.00 O ATOM 659 OE2 GLU A 42 -13.997 20.161 -12.012 1.00 0.00 O ATOM 0 H GLU A 42 -9.020 18.804 -9.933 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.597 20.081 -9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.947 19.260 -11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.747 17.647 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.894 17.866 -12.104 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.134 17.521 -10.403 1.00 0.00 H new ATOM 666 N PHE A 43 -12.575 18.395 -7.745 1.00 0.00 N ATOM 667 CA PHE A 43 -13.049 17.556 -6.652 1.00 0.00 C ATOM 668 C PHE A 43 -14.018 16.518 -7.203 1.00 0.00 C ATOM 669 O PHE A 43 -14.914 16.845 -7.988 1.00 0.00 O ATOM 670 CB PHE A 43 -13.665 18.405 -5.535 1.00 0.00 C ATOM 671 CG PHE A 43 -12.656 19.296 -4.833 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.701 18.728 -3.968 1.00 0.00 C ATOM 673 CD2 PHE A 43 -12.645 20.685 -5.070 1.00 0.00 C ATOM 674 CE1 PHE A 43 -10.739 19.542 -3.345 1.00 0.00 C ATOM 675 CE2 PHE A 43 -11.684 21.499 -4.442 1.00 0.00 C ATOM 676 CZ PHE A 43 -10.729 20.928 -3.580 1.00 0.00 C ATOM 0 H PHE A 43 -13.230 19.128 -8.016 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.209 17.028 -6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -14.457 19.025 -5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -14.130 17.746 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.708 17.664 -3.783 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -13.374 21.125 -5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.006 19.102 -2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.679 22.564 -4.622 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.990 21.553 -3.100 1.00 0.00 H new ATOM 686 N VAL A 44 -13.845 15.264 -6.784 1.00 0.00 N ATOM 687 CA VAL A 44 -14.651 14.128 -7.170 1.00 0.00 C ATOM 688 C VAL A 44 -15.265 13.505 -5.906 1.00 0.00 C ATOM 689 O VAL A 44 -15.046 13.984 -4.790 1.00 0.00 O ATOM 690 CB VAL A 44 -13.790 13.191 -8.035 1.00 0.00 C ATOM 691 CG1 VAL A 44 -13.383 13.864 -9.357 1.00 0.00 C ATOM 692 CG2 VAL A 44 -12.544 12.637 -7.336 1.00 0.00 C ATOM 0 H VAL A 44 -13.100 15.011 -6.135 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.502 14.399 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.437 12.336 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.776 13.175 -9.944 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.277 14.130 -9.920 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.807 14.765 -9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.000 11.988 -8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.901 13.462 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.843 12.066 -6.457 1.00 0.00 H new ATOM 702 N ASP A 45 -16.033 12.425 -6.061 1.00 0.00 N ATOM 703 CA ASP A 45 -16.871 11.865 -4.993 1.00 0.00 C ATOM 704 C ASP A 45 -16.173 10.959 -3.979 1.00 0.00 C ATOM 705 O ASP A 45 -16.820 10.356 -3.119 1.00 0.00 O ATOM 706 CB ASP A 45 -18.158 11.238 -5.555 1.00 0.00 C ATOM 707 CG ASP A 45 -17.991 9.751 -5.925 1.00 0.00 C ATOM 708 OD1 ASP A 45 -17.074 9.421 -6.715 1.00 0.00 O ATOM 709 OD2 ASP A 45 -18.817 8.914 -5.483 1.00 0.00 O ATOM 0 H ASP A 45 -16.093 11.908 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.138 12.733 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.955 11.336 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.471 11.794 -6.439 1.00 0.00 H new ATOM 714 N ASP A 46 -14.846 10.910 -4.051 1.00 0.00 N ATOM 715 CA ASP A 46 -13.990 10.171 -3.118 1.00 0.00 C ATOM 716 C ASP A 46 -12.575 10.767 -2.984 1.00 0.00 C ATOM 717 O ASP A 46 -11.664 10.101 -2.488 1.00 0.00 O ATOM 718 CB ASP A 46 -13.942 8.686 -3.518 1.00 0.00 C ATOM 719 CG ASP A 46 -13.817 7.784 -2.275 1.00 0.00 C ATOM 720 OD1 ASP A 46 -14.844 7.549 -1.594 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.714 7.300 -1.930 1.00 0.00 O ATOM 0 H ASP A 46 -14.319 11.395 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.437 10.262 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.844 8.425 -4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.097 8.512 -4.185 1.00 0.00 H new ATOM 726 N GLY A 47 -12.342 11.997 -3.457 1.00 0.00 N ATOM 727 CA GLY A 47 -11.004 12.583 -3.470 1.00 0.00 C ATOM 728 C GLY A 47 -10.903 13.766 -4.427 1.00 0.00 C ATOM 729 O GLY A 47 -11.892 14.463 -4.671 1.00 0.00 O ATOM 0 H GLY A 47 -13.068 12.605 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.742 12.909 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.279 11.822 -3.758 1.00 0.00 H new ATOM 733 N THR A 48 -9.715 13.969 -4.998 1.00 0.00 N ATOM 734 CA THR A 48 -9.402 15.088 -5.877 1.00 0.00 C ATOM 735 C THR A 48 -8.717 14.521 -7.126 1.00 0.00 C ATOM 736 O THR A 48 -8.097 13.458 -7.070 1.00 0.00 O ATOM 737 CB THR A 48 -8.517 16.120 -5.130 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.907 16.267 -3.769 1.00 0.00 O ATOM 739 CG2 THR A 48 -8.534 17.525 -5.744 1.00 0.00 C ATOM 0 H THR A 48 -8.925 13.340 -4.856 1.00 0.00 H new ATOM 0 HA THR A 48 -10.304 15.619 -6.181 1.00 0.00 H new ATOM 0 HB THR A 48 -7.513 15.704 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.326 16.924 -3.331 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.890 18.184 -5.162 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.172 17.478 -6.771 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.553 17.913 -5.736 1.00 0.00 H new ATOM 747 N GLU A 49 -8.798 15.227 -8.246 1.00 0.00 N ATOM 748 CA GLU A 49 -8.129 14.919 -9.491 1.00 0.00 C ATOM 749 C GLU A 49 -7.363 16.178 -9.889 1.00 0.00 C ATOM 750 O GLU A 49 -7.960 17.192 -10.256 1.00 0.00 O ATOM 751 CB GLU A 49 -9.130 14.437 -10.558 1.00 0.00 C ATOM 752 CG GLU A 49 -9.571 12.994 -10.266 1.00 0.00 C ATOM 753 CD GLU A 49 -10.595 12.392 -11.258 1.00 0.00 C ATOM 754 OE1 GLU A 49 -10.957 13.017 -12.287 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.069 11.261 -10.987 1.00 0.00 O ATOM 0 H GLU A 49 -9.364 16.074 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.430 14.089 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.000 15.094 -10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.673 14.491 -11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.686 12.358 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.000 12.960 -9.264 1.00 0.00 H new ATOM 762 N THR A 50 -6.037 16.142 -9.754 1.00 0.00 N ATOM 763 CA THR A 50 -5.173 17.243 -10.164 1.00 0.00 C ATOM 764 C THR A 50 -4.920 17.067 -11.660 1.00 0.00 C ATOM 765 O THR A 50 -4.105 16.221 -12.022 1.00 0.00 O ATOM 766 CB THR A 50 -3.890 17.241 -9.319 1.00 0.00 C ATOM 767 OG1 THR A 50 -4.201 17.499 -7.959 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.875 18.285 -9.793 1.00 0.00 C ATOM 0 H THR A 50 -5.534 15.348 -9.357 1.00 0.00 H new ATOM 0 HA THR A 50 -5.630 18.219 -9.998 1.00 0.00 H new ATOM 0 HB THR A 50 -3.443 16.253 -9.432 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.377 17.494 -7.428 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.987 18.242 -9.162 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.597 18.079 -10.826 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.318 19.279 -9.728 1.00 0.00 H new ATOM 776 N HIS A 51 -5.631 17.803 -12.513 1.00 0.00 N ATOM 777 CA HIS A 51 -5.599 17.657 -13.962 1.00 0.00 C ATOM 778 C HIS A 51 -4.451 18.471 -14.563 1.00 0.00 C ATOM 779 O HIS A 51 -4.156 19.567 -14.073 1.00 0.00 O ATOM 780 CB HIS A 51 -6.931 18.120 -14.575 1.00 0.00 C ATOM 781 CG HIS A 51 -8.101 17.202 -14.320 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.425 16.083 -15.058 1.00 0.00 N ATOM 783 CD2 HIS A 51 -9.090 17.368 -13.384 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.564 15.574 -14.559 1.00 0.00 C ATOM 785 NE2 HIS A 51 -10.019 16.333 -13.542 1.00 0.00 N ATOM 0 H HIS A 51 -6.264 18.540 -12.202 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.443 16.603 -14.192 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.171 19.108 -14.182 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.801 18.228 -15.652 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.143 18.160 -12.652 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.048 14.680 -14.923 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.869 16.183 -12.998 1.00 0.00 H new ATOM 793 N PHE A 52 -3.844 17.953 -15.635 1.00 0.00 N ATOM 794 CA PHE A 52 -2.880 18.632 -16.498 1.00 0.00 C ATOM 795 C PHE A 52 -2.837 17.915 -17.861 1.00 0.00 C ATOM 796 O PHE A 52 -3.568 16.949 -18.077 1.00 0.00 O ATOM 797 CB PHE A 52 -1.502 18.713 -15.817 1.00 0.00 C ATOM 798 CG PHE A 52 -0.891 17.419 -15.318 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.193 16.970 -14.019 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.039 16.715 -16.103 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.563 15.830 -13.498 1.00 0.00 C ATOM 802 CE2 PHE A 52 0.673 15.572 -15.574 1.00 0.00 C ATOM 803 CZ PHE A 52 0.381 15.137 -14.272 1.00 0.00 C ATOM 0 H PHE A 52 -4.024 16.996 -15.938 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.189 19.663 -16.672 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.804 19.164 -16.522 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.585 19.394 -14.970 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.914 17.506 -13.420 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.266 17.048 -17.105 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.804 15.486 -12.503 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.387 15.028 -16.174 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.882 14.270 -13.866 1.00 0.00 H new ATOM 813 N SER A 53 -1.996 18.371 -18.790 1.00 0.00 N ATOM 814 CA SER A 53 -1.873 17.814 -20.139 1.00 0.00 C ATOM 815 C SER A 53 -0.412 17.886 -20.591 1.00 0.00 C ATOM 816 O SER A 53 0.311 18.809 -20.202 1.00 0.00 O ATOM 817 CB SER A 53 -2.779 18.570 -21.128 1.00 0.00 C ATOM 818 OG SER A 53 -4.137 18.596 -20.702 1.00 0.00 O ATOM 0 H SER A 53 -1.367 19.156 -18.622 1.00 0.00 H new ATOM 0 HA SER A 53 -2.193 16.772 -20.120 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.416 19.592 -21.242 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.717 18.098 -22.109 1.00 0.00 H new ATOM 0 HG SER A 53 -4.676 19.086 -21.357 1.00 0.00 H new ATOM 824 N ILE A 54 0.022 16.913 -21.395 1.00 0.00 N ATOM 825 CA ILE A 54 1.383 16.763 -21.908 1.00 0.00 C ATOM 826 C ILE A 54 1.226 16.277 -23.348 1.00 0.00 C ATOM 827 O ILE A 54 0.454 15.351 -23.590 1.00 0.00 O ATOM 828 CB ILE A 54 2.178 15.748 -21.042 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.350 16.267 -19.596 1.00 0.00 C ATOM 830 CG2 ILE A 54 3.564 15.447 -21.652 1.00 0.00 C ATOM 831 CD1 ILE A 54 2.830 15.210 -18.607 1.00 0.00 C ATOM 0 H ILE A 54 -0.598 16.172 -21.721 1.00 0.00 H new ATOM 0 HA ILE A 54 1.944 17.697 -21.871 1.00 0.00 H new ATOM 0 HB ILE A 54 1.600 14.824 -21.022 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.060 17.094 -19.600 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.397 16.667 -19.249 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.092 14.733 -21.020 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.439 15.025 -22.649 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.141 16.370 -21.718 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.925 15.655 -17.616 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.110 14.393 -18.570 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.799 14.826 -18.927 1.00 0.00 H new ATOM 843 N GLY A 55 1.954 16.861 -24.304 1.00 0.00 N ATOM 844 CA GLY A 55 1.847 16.477 -25.707 1.00 0.00 C ATOM 845 C GLY A 55 0.404 16.664 -26.177 1.00 0.00 C ATOM 846 O GLY A 55 -0.156 17.756 -26.037 1.00 0.00 O ATOM 0 H GLY A 55 2.627 17.606 -24.126 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.520 17.083 -26.314 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.151 15.438 -25.835 1.00 0.00 H new ATOM 850 N ASN A 56 -0.205 15.588 -26.687 1.00 0.00 N ATOM 851 CA ASN A 56 -1.616 15.531 -27.070 1.00 0.00 C ATOM 852 C ASN A 56 -2.385 14.566 -26.151 1.00 0.00 C ATOM 853 O ASN A 56 -3.250 13.812 -26.609 1.00 0.00 O ATOM 854 CB ASN A 56 -1.748 15.186 -28.565 1.00 0.00 C ATOM 855 CG ASN A 56 -3.172 15.377 -29.095 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.968 16.149 -28.562 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.515 14.717 -30.193 1.00 0.00 N ATOM 0 H ASN A 56 0.286 14.709 -26.848 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.073 16.511 -26.935 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.065 15.812 -29.139 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.442 14.152 -28.723 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.442 14.849 -30.599 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.852 14.078 -30.632 1.00 0.00 H new ATOM 864 N HIS A 57 -2.031 14.537 -24.862 1.00 0.00 N ATOM 865 CA HIS A 57 -2.558 13.612 -23.864 1.00 0.00 C ATOM 866 C HIS A 57 -2.966 14.421 -22.630 1.00 0.00 C ATOM 867 O HIS A 57 -2.261 15.360 -22.248 1.00 0.00 O ATOM 868 CB HIS A 57 -1.498 12.558 -23.485 1.00 0.00 C ATOM 869 CG HIS A 57 -0.690 12.028 -24.648 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.121 11.172 -25.639 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.604 12.366 -24.945 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.109 11.001 -26.506 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.969 11.716 -26.134 1.00 0.00 N ATOM 0 H HIS A 57 -1.343 15.183 -24.475 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.421 13.084 -24.270 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.816 12.995 -22.755 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.996 11.721 -22.995 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.236 13.021 -24.363 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.154 10.374 -27.384 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.866 11.774 -26.617 1.00 0.00 H new ATOM 881 N ASP A 58 -4.074 14.056 -21.985 1.00 0.00 N ATOM 882 CA ASP A 58 -4.447 14.604 -20.684 1.00 0.00 C ATOM 883 C ASP A 58 -4.049 13.618 -19.591 1.00 0.00 C ATOM 884 O ASP A 58 -4.012 12.400 -19.805 1.00 0.00 O ATOM 885 CB ASP A 58 -5.922 14.997 -20.590 1.00 0.00 C ATOM 886 CG ASP A 58 -6.809 13.844 -20.084 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.240 13.007 -20.913 1.00 0.00 O ATOM 888 OD2 ASP A 58 -7.104 13.796 -18.866 1.00 0.00 O ATOM 0 H ASP A 58 -4.737 13.372 -22.351 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.901 15.537 -20.546 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.025 15.851 -19.921 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.273 15.317 -21.571 1.00 0.00 H new ATOM 893 N CYS A 59 -3.723 14.163 -18.424 1.00 0.00 N ATOM 894 CA CYS A 59 -3.236 13.444 -17.267 1.00 0.00 C ATOM 895 C CYS A 59 -3.964 13.972 -16.038 1.00 0.00 C ATOM 896 O CYS A 59 -4.336 15.148 -15.997 1.00 0.00 O ATOM 897 CB CYS A 59 -1.734 13.686 -17.055 1.00 0.00 C ATOM 898 SG CYS A 59 -0.791 13.739 -18.607 1.00 0.00 S ATOM 0 H CYS A 59 -3.797 15.167 -18.258 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.410 12.379 -17.421 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.596 14.626 -16.521 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.332 12.897 -16.420 1.00 0.00 H new ATOM 0 HG CYS A 59 0.344 13.125 -18.446 1.00 0.00 H new ATOM 904 N TYR A 60 -4.122 13.150 -15.006 1.00 0.00 N ATOM 905 CA TYR A 60 -4.581 13.646 -13.728 1.00 0.00 C ATOM 906 C TYR A 60 -3.993 12.811 -12.610 1.00 0.00 C ATOM 907 O TYR A 60 -3.884 11.595 -12.741 1.00 0.00 O ATOM 908 CB TYR A 60 -6.110 13.757 -13.665 1.00 0.00 C ATOM 909 CG TYR A 60 -6.921 12.475 -13.760 1.00 0.00 C ATOM 910 CD1 TYR A 60 -6.991 11.593 -12.667 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.665 12.200 -14.923 1.00 0.00 C ATOM 912 CE1 TYR A 60 -7.792 10.443 -12.734 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.521 11.084 -14.975 1.00 0.00 C ATOM 914 CZ TYR A 60 -8.599 10.202 -13.869 1.00 0.00 C ATOM 915 OH TYR A 60 -9.395 9.093 -13.901 1.00 0.00 O ATOM 0 H TYR A 60 -3.939 12.147 -15.035 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.220 14.666 -13.598 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.371 14.249 -12.728 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.431 14.416 -14.472 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.425 11.802 -11.771 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.578 12.850 -15.781 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.792 9.739 -11.915 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.117 10.900 -15.856 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.889 9.069 -14.747 1.00 0.00 H new ATOM 925 N ILE A 61 -3.616 13.434 -11.495 1.00 0.00 N ATOM 926 CA ILE A 61 -3.253 12.677 -10.303 1.00 0.00 C ATOM 927 C ILE A 61 -4.561 12.480 -9.545 1.00 0.00 C ATOM 928 O ILE A 61 -5.161 13.455 -9.099 1.00 0.00 O ATOM 929 CB ILE A 61 -2.128 13.353 -9.494 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.829 13.432 -10.329 1.00 0.00 C ATOM 931 CG2 ILE A 61 -1.856 12.566 -8.194 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.078 14.579 -9.870 1.00 0.00 C ATOM 0 H ILE A 61 -3.555 14.447 -11.394 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.812 11.709 -10.542 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.451 14.363 -9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.289 12.489 -10.250 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.081 13.568 -11.381 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.059 13.055 -7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.762 12.539 -7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.554 11.548 -8.441 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.979 14.598 -10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.452 15.526 -9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.353 14.430 -8.826 1.00 0.00 H new ATOM 944 N LYS A 62 -5.008 11.231 -9.416 1.00 0.00 N ATOM 945 CA LYS A 62 -6.158 10.844 -8.613 1.00 0.00 C ATOM 946 C LYS A 62 -5.649 10.812 -7.181 1.00 0.00 C ATOM 947 O LYS A 62 -4.973 9.870 -6.770 1.00 0.00 O ATOM 948 CB LYS A 62 -6.697 9.490 -9.130 1.00 0.00 C ATOM 949 CG LYS A 62 -8.229 9.366 -9.053 1.00 0.00 C ATOM 950 CD LYS A 62 -8.714 8.028 -9.646 1.00 0.00 C ATOM 951 CE LYS A 62 -10.250 7.953 -9.589 1.00 0.00 C ATOM 952 NZ LYS A 62 -10.778 6.703 -10.209 1.00 0.00 N ATOM 0 H LYS A 62 -4.564 10.440 -9.883 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.003 11.530 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.382 9.354 -10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.246 8.684 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.550 9.443 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.690 10.193 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.375 7.934 -10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.280 7.196 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.576 8.007 -8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.673 8.817 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.816 6.697 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.490 6.662 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.396 5.877 -9.705 1.00 0.00 H new ATOM 966 N ALA A 63 -5.900 11.871 -6.429 1.00 0.00 N ATOM 967 CA ALA A 63 -5.621 11.926 -5.010 1.00 0.00 C ATOM 968 C ALA A 63 -6.855 11.371 -4.314 1.00 0.00 C ATOM 969 O ALA A 63 -7.765 12.107 -3.941 1.00 0.00 O ATOM 970 CB ALA A 63 -5.292 13.358 -4.611 1.00 0.00 C ATOM 0 H ALA A 63 -6.310 12.729 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.753 11.333 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.082 13.399 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.418 13.699 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.140 14.003 -4.839 1.00 0.00 H new ATOM 976 N VAL A 64 -6.921 10.048 -4.238 1.00 0.00 N ATOM 977 CA VAL A 64 -8.064 9.313 -3.736 1.00 0.00 C ATOM 978 C VAL A 64 -7.935 9.267 -2.217 1.00 0.00 C ATOM 979 O VAL A 64 -6.879 8.866 -1.729 1.00 0.00 O ATOM 980 CB VAL A 64 -8.102 7.884 -4.327 1.00 0.00 C ATOM 981 CG1 VAL A 64 -9.552 7.490 -4.625 1.00 0.00 C ATOM 982 CG2 VAL A 64 -7.262 7.668 -5.599 1.00 0.00 C ATOM 0 H VAL A 64 -6.155 9.443 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.993 9.802 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.651 7.253 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.577 6.483 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.133 7.516 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.979 8.190 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.360 6.634 -5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.615 8.334 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.215 7.883 -5.385 1.00 0.00 H new ATOM 992 N SER A 65 -8.974 9.620 -1.466 1.00 0.00 N ATOM 993 CA SER A 65 -8.956 9.617 -0.007 1.00 0.00 C ATOM 994 C SER A 65 -9.371 8.245 0.547 1.00 0.00 C ATOM 995 O SER A 65 -10.129 8.172 1.516 1.00 0.00 O ATOM 996 CB SER A 65 -9.817 10.779 0.511 1.00 0.00 C ATOM 997 OG SER A 65 -9.436 12.002 -0.109 1.00 0.00 O ATOM 0 H SER A 65 -9.865 9.921 -1.860 1.00 0.00 H new ATOM 0 HA SER A 65 -7.941 9.779 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.869 10.576 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.709 10.864 1.592 1.00 0.00 H new ATOM 0 HG SER A 65 -9.996 12.730 0.232 1.00 0.00 H new ATOM 1003 N SER A 66 -8.954 7.157 -0.103 1.00 0.00 N ATOM 1004 CA SER A 66 -9.363 5.791 0.214 1.00 0.00 C ATOM 1005 C SER A 66 -8.847 5.345 1.593 1.00 0.00 C ATOM 1006 O SER A 66 -7.892 5.916 2.125 1.00 0.00 O ATOM 1007 CB SER A 66 -8.849 4.862 -0.897 1.00 0.00 C ATOM 1008 OG SER A 66 -9.180 5.380 -2.181 1.00 0.00 O ATOM 0 H SER A 66 -8.303 7.205 -0.887 1.00 0.00 H new ATOM 0 HA SER A 66 -10.451 5.744 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.768 4.750 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.283 3.869 -0.777 1.00 0.00 H new ATOM 0 HG SER A 66 -8.843 4.775 -2.875 1.00 0.00 H new ATOM 1014 N GLY A 67 -9.463 4.302 2.164 1.00 0.00 N ATOM 1015 CA GLY A 67 -9.120 3.816 3.497 1.00 0.00 C ATOM 1016 C GLY A 67 -9.525 4.846 4.552 1.00 0.00 C ATOM 1017 O GLY A 67 -10.589 5.465 4.432 1.00 0.00 O ATOM 0 H GLY A 67 -10.211 3.776 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.625 2.870 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.049 3.623 3.558 1.00 0.00 H new ATOM 1021 N LYS A 68 -8.690 5.043 5.581 1.00 0.00 N ATOM 1022 CA LYS A 68 -8.907 6.103 6.572 1.00 0.00 C ATOM 1023 C LYS A 68 -8.835 7.445 5.840 1.00 0.00 C ATOM 1024 O LYS A 68 -7.859 7.711 5.134 1.00 0.00 O ATOM 1025 CB LYS A 68 -7.877 6.022 7.713 1.00 0.00 C ATOM 1026 CG LYS A 68 -8.043 4.748 8.557 1.00 0.00 C ATOM 1027 CD LYS A 68 -7.028 4.707 9.709 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.098 3.402 10.520 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.350 3.265 11.315 1.00 0.00 N ATOM 0 H LYS A 68 -7.856 4.480 5.748 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.885 5.988 7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.871 6.050 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.979 6.897 8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.055 4.705 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.914 3.870 7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.022 4.825 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.206 5.552 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.015 2.555 9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.242 3.355 11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.333 2.366 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.422 4.055 11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.170 3.279 10.676 1.00 0.00 H new ATOM 1043 N ARG A 69 -9.861 8.291 5.997 1.00 0.00 N ATOM 1044 CA ARG A 69 -9.997 9.498 5.177 1.00 0.00 C ATOM 1045 C ARG A 69 -8.892 10.505 5.488 1.00 0.00 C ATOM 1046 O ARG A 69 -8.393 11.156 4.572 1.00 0.00 O ATOM 1047 CB ARG A 69 -11.391 10.135 5.362 1.00 0.00 C ATOM 1048 CG ARG A 69 -12.588 9.269 4.929 1.00 0.00 C ATOM 1049 CD ARG A 69 -12.433 8.738 3.499 1.00 0.00 C ATOM 1050 NE ARG A 69 -13.707 8.264 2.922 1.00 0.00 N ATOM 1051 CZ ARG A 69 -13.868 7.906 1.641 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -12.820 7.807 0.831 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -15.075 7.658 1.150 1.00 0.00 N ATOM 0 H ARG A 69 -10.606 8.161 6.682 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.895 9.204 4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.515 10.392 6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.420 11.068 4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.694 8.430 5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.503 9.857 4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.024 9.526 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.712 7.921 3.496 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.517 8.205 3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.883 8.004 1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.952 7.534 -0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.896 7.739 1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.182 7.386 0.173 1.00 0.00 H new ATOM 1067 N LYS A 70 -8.496 10.644 6.759 1.00 0.00 N ATOM 1068 CA LYS A 70 -7.453 11.593 7.141 1.00 0.00 C ATOM 1069 C LYS A 70 -6.097 11.057 6.682 1.00 0.00 C ATOM 1070 O LYS A 70 -5.718 9.956 7.075 1.00 0.00 O ATOM 1071 CB LYS A 70 -7.488 11.837 8.661 1.00 0.00 C ATOM 1072 CG LYS A 70 -6.377 12.784 9.154 1.00 0.00 C ATOM 1073 CD LYS A 70 -6.397 14.187 8.523 1.00 0.00 C ATOM 1074 CE LYS A 70 -7.675 15.007 8.785 1.00 0.00 C ATOM 1075 NZ LYS A 70 -7.845 15.396 10.214 1.00 0.00 N ATOM 0 H LYS A 70 -8.884 10.110 7.537 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.625 12.554 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.458 12.254 8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.396 10.881 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.460 12.887 10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.410 12.324 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.541 14.749 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.264 14.085 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.653 15.907 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.542 14.427 8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.722 15.944 10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.897 14.540 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.035 15.975 10.515 1.00 0.00 H new ATOM 1089 N GLU A 71 -5.373 11.861 5.893 1.00 0.00 N ATOM 1090 CA GLU A 71 -3.992 11.676 5.419 1.00 0.00 C ATOM 1091 C GLU A 71 -3.716 10.394 4.616 1.00 0.00 C ATOM 1092 O GLU A 71 -2.666 10.296 3.980 1.00 0.00 O ATOM 1093 CB GLU A 71 -2.974 11.854 6.558 1.00 0.00 C ATOM 1094 CG GLU A 71 -2.910 13.293 7.089 1.00 0.00 C ATOM 1095 CD GLU A 71 -1.880 13.428 8.223 1.00 0.00 C ATOM 1096 OE1 GLU A 71 -2.244 13.238 9.408 1.00 0.00 O ATOM 1097 OE2 GLU A 71 -0.697 13.743 7.939 1.00 0.00 O ATOM 0 H GLU A 71 -5.770 12.731 5.539 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.861 12.475 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.232 11.182 7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.986 11.560 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.649 13.971 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.893 13.593 7.451 1.00 0.00 H new ATOM 1104 N GLY A 72 -4.645 9.439 4.562 1.00 0.00 N ATOM 1105 CA GLY A 72 -4.483 8.145 3.913 1.00 0.00 C ATOM 1106 C GLY A 72 -4.606 8.201 2.386 1.00 0.00 C ATOM 1107 O GLY A 72 -5.012 7.222 1.759 1.00 0.00 O ATOM 0 H GLY A 72 -5.565 9.554 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.507 7.737 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.232 7.456 4.304 1.00 0.00 H new ATOM 1111 N ILE A 73 -4.315 9.355 1.785 1.00 0.00 N ATOM 1112 CA ILE A 73 -4.576 9.646 0.386 1.00 0.00 C ATOM 1113 C ILE A 73 -3.599 8.802 -0.455 1.00 0.00 C ATOM 1114 O ILE A 73 -2.400 8.759 -0.158 1.00 0.00 O ATOM 1115 CB ILE A 73 -4.492 11.174 0.127 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -5.631 12.020 0.753 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -4.564 11.487 -1.379 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -5.775 11.978 2.273 1.00 0.00 C ATOM 0 H ILE A 73 -3.878 10.133 2.279 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.589 9.370 0.094 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.542 11.442 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.483 13.058 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.574 11.694 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.503 12.565 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.734 11.001 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.506 11.117 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.608 12.612 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.964 10.953 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.856 12.339 2.736 1.00 0.00 H new ATOM 1130 N ILE A 74 -4.100 8.149 -1.512 1.00 0.00 N ATOM 1131 CA ILE A 74 -3.337 7.146 -2.260 1.00 0.00 C ATOM 1132 C ILE A 74 -2.318 7.809 -3.204 1.00 0.00 C ATOM 1133 O ILE A 74 -1.170 7.372 -3.248 1.00 0.00 O ATOM 1134 CB ILE A 74 -4.309 6.185 -2.991 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -5.321 5.508 -2.032 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -3.561 5.112 -3.801 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -4.711 4.617 -0.938 1.00 0.00 C ATOM 0 H ILE A 74 -5.043 8.302 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.749 6.547 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.872 6.814 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.914 6.286 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.007 4.904 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.282 4.461 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.933 5.594 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.938 4.519 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.508 4.195 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.143 3.810 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.049 5.213 -0.310 1.00 0.00 H new ATOM 1149 N HIS A 75 -2.742 8.873 -3.910 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.033 9.535 -5.013 1.00 0.00 C ATOM 1151 C HIS A 75 -1.616 8.548 -6.119 1.00 0.00 C ATOM 1152 O HIS A 75 -0.595 7.866 -6.020 1.00 0.00 O ATOM 1153 CB HIS A 75 -0.836 10.364 -4.516 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.211 11.512 -3.616 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.075 11.564 -2.245 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.728 12.711 -4.020 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.505 12.771 -1.837 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.922 13.504 -2.885 1.00 0.00 N ATOM 0 H HIS A 75 -3.639 9.316 -3.713 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.744 10.230 -5.460 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.150 9.707 -3.981 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.296 10.755 -5.378 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.713 10.821 -1.648 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.948 12.996 -5.038 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.514 13.106 -0.810 1.00 0.00 H new ATOM 1166 N THR A 76 -2.362 8.551 -7.226 1.00 0.00 N ATOM 1167 CA THR A 76 -2.044 7.774 -8.423 1.00 0.00 C ATOM 1168 C THR A 76 -2.015 8.700 -9.623 1.00 0.00 C ATOM 1169 O THR A 76 -2.871 9.571 -9.707 1.00 0.00 O ATOM 1170 CB THR A 76 -3.076 6.652 -8.646 1.00 0.00 C ATOM 1171 OG1 THR A 76 -3.434 6.038 -7.415 1.00 0.00 O ATOM 1172 CG2 THR A 76 -2.489 5.604 -9.592 1.00 0.00 C ATOM 0 H THR A 76 -3.216 9.102 -7.316 1.00 0.00 H new ATOM 0 HA THR A 76 -1.067 7.308 -8.291 1.00 0.00 H new ATOM 0 HB THR A 76 -3.974 7.088 -9.085 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.091 5.330 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.217 4.809 -9.751 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.247 6.071 -10.547 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.584 5.184 -9.153 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.096 8.525 -10.570 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.163 9.249 -11.832 1.00 0.00 C ATOM 1182 C LEU A 77 -2.007 8.431 -12.792 1.00 0.00 C ATOM 1183 O LEU A 77 -1.790 7.235 -12.941 1.00 0.00 O ATOM 1184 CB LEU A 77 0.245 9.507 -12.381 1.00 0.00 C ATOM 1185 CG LEU A 77 0.259 10.169 -13.769 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.274 11.603 -13.719 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.691 10.192 -14.304 1.00 0.00 C ATOM 0 H LEU A 77 -0.301 7.891 -10.486 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.623 10.227 -11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.787 10.142 -11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.783 8.560 -12.435 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.389 9.586 -14.424 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.248 12.036 -14.719 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.301 11.597 -13.353 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.346 12.199 -13.049 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.704 10.661 -15.288 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.325 10.760 -13.623 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.066 9.172 -14.383 1.00 0.00 H new ATOM 1199 N ILE A 78 -2.965 9.066 -13.445 1.00 0.00 N ATOM 1200 CA ILE A 78 -3.727 8.530 -14.554 1.00 0.00 C ATOM 1201 C ILE A 78 -3.292 9.352 -15.773 1.00 0.00 C ATOM 1202 O ILE A 78 -3.087 10.564 -15.655 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.242 8.616 -14.256 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -5.779 7.433 -13.422 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.076 8.695 -15.539 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -5.149 7.320 -12.039 1.00 0.00 C ATOM 0 H ILE A 78 -3.244 10.016 -13.202 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.540 7.471 -14.734 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.346 9.532 -13.674 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.858 7.538 -13.312 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.603 6.506 -13.968 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.134 8.754 -15.282 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.790 9.582 -16.105 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.898 7.806 -16.144 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.576 6.466 -11.513 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.072 7.182 -12.140 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.347 8.231 -11.473 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.178 8.729 -16.944 1.00 0.00 N ATOM 1219 CA VAL A 79 -2.914 9.400 -18.205 1.00 0.00 C ATOM 1220 C VAL A 79 -3.800 8.753 -19.253 1.00 0.00 C ATOM 1221 O VAL A 79 -3.862 7.526 -19.321 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.427 9.317 -18.580 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.125 10.134 -19.845 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -0.529 9.800 -17.437 1.00 0.00 C ATOM 0 H VAL A 79 -3.270 7.718 -17.039 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.142 10.463 -18.130 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.211 8.266 -18.774 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.065 10.055 -20.084 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.714 9.748 -20.677 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.381 11.179 -19.673 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.516 9.727 -17.739 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.767 10.837 -17.201 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.696 9.180 -16.556 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.509 9.566 -20.036 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.484 9.116 -21.030 1.00 0.00 C ATOM 1236 C ASP A 80 -6.415 8.033 -20.455 1.00 0.00 C ATOM 1237 O ASP A 80 -6.658 6.993 -21.067 1.00 0.00 O ATOM 1238 CB ASP A 80 -4.788 8.730 -22.340 1.00 0.00 C ATOM 1239 CG ASP A 80 -5.804 8.431 -23.457 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.746 9.232 -23.672 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -5.624 7.408 -24.159 1.00 0.00 O ATOM 0 H ASP A 80 -4.419 10.581 -19.996 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.144 9.945 -21.284 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.129 9.539 -22.654 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.161 7.854 -22.175 1.00 0.00 H new ATOM 1246 N ASN A 81 -6.879 8.270 -19.219 1.00 0.00 N ATOM 1247 CA ASN A 81 -7.755 7.412 -18.411 1.00 0.00 C ATOM 1248 C ASN A 81 -7.156 6.055 -17.984 1.00 0.00 C ATOM 1249 O ASN A 81 -7.849 5.257 -17.351 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.148 7.286 -19.055 1.00 0.00 C ATOM 1251 CG ASN A 81 -10.215 6.801 -18.071 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -10.272 7.246 -16.926 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.108 5.917 -18.495 1.00 0.00 N ATOM 0 H ASN A 81 -6.634 9.127 -18.724 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.865 7.931 -17.459 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.446 8.254 -19.458 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.094 6.594 -19.895 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.849 5.601 -17.870 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.053 5.553 -19.446 1.00 0.00 H new ATOM 1260 N ARG A 82 -5.881 5.772 -18.278 1.00 0.00 N ATOM 1261 CA ARG A 82 -5.165 4.586 -17.838 1.00 0.00 C ATOM 1262 C ARG A 82 -4.367 4.902 -16.582 1.00 0.00 C ATOM 1263 O ARG A 82 -3.837 6.003 -16.452 1.00 0.00 O ATOM 1264 CB ARG A 82 -4.260 4.107 -18.980 1.00 0.00 C ATOM 1265 CG ARG A 82 -5.018 3.180 -19.927 1.00 0.00 C ATOM 1266 CD ARG A 82 -6.105 3.753 -20.852 1.00 0.00 C ATOM 1267 NE ARG A 82 -5.571 4.512 -21.997 1.00 0.00 N ATOM 1268 CZ ARG A 82 -5.038 4.006 -23.121 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -4.823 2.696 -23.254 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -4.725 4.816 -24.122 1.00 0.00 N ATOM 0 H ARG A 82 -5.306 6.390 -18.850 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.864 3.787 -17.589 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.881 4.966 -19.533 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.396 3.585 -18.569 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.280 2.687 -20.560 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.484 2.405 -19.319 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.720 2.934 -21.226 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.759 4.403 -20.270 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.610 5.529 -21.928 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.064 2.060 -22.494 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.417 2.331 -24.116 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.889 5.819 -24.037 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.320 4.436 -24.978 1.00 0.00 H new ATOM 1284 N GLU A 83 -4.276 3.948 -15.662 1.00 0.00 N ATOM 1285 CA GLU A 83 -3.627 4.117 -14.374 1.00 0.00 C ATOM 1286 C GLU A 83 -2.129 3.819 -14.484 1.00 0.00 C ATOM 1287 O GLU A 83 -1.738 2.826 -15.104 1.00 0.00 O ATOM 1288 CB GLU A 83 -4.349 3.229 -13.353 1.00 0.00 C ATOM 1289 CG GLU A 83 -3.761 3.353 -11.952 1.00 0.00 C ATOM 1290 CD GLU A 83 -4.552 2.495 -10.944 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -5.555 2.988 -10.373 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -4.169 1.324 -10.711 1.00 0.00 O ATOM 0 H GLU A 83 -4.662 3.014 -15.798 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.697 5.150 -14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.405 3.498 -13.325 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.293 2.190 -13.676 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.717 3.039 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.777 4.397 -11.638 1.00 0.00 H new ATOM 1299 N ILE A 84 -1.304 4.668 -13.867 1.00 0.00 N ATOM 1300 CA ILE A 84 0.152 4.635 -13.896 1.00 0.00 C ATOM 1301 C ILE A 84 0.629 4.457 -12.438 1.00 0.00 C ATOM 1302 O ILE A 84 0.401 5.350 -11.616 1.00 0.00 O ATOM 1303 CB ILE A 84 0.688 5.942 -14.549 1.00 0.00 C ATOM 1304 CG1 ILE A 84 0.029 6.314 -15.896 1.00 0.00 C ATOM 1305 CG2 ILE A 84 2.212 5.891 -14.717 1.00 0.00 C ATOM 1306 CD1 ILE A 84 0.137 5.267 -17.008 1.00 0.00 C ATOM 0 H ILE A 84 -1.659 5.440 -13.302 1.00 0.00 H new ATOM 0 HA ILE A 84 0.534 3.810 -14.497 1.00 0.00 H new ATOM 0 HB ILE A 84 0.411 6.730 -13.849 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.027 6.518 -15.717 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.477 7.242 -16.253 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.559 6.817 -15.176 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.682 5.771 -13.741 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.480 5.048 -15.354 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.360 5.636 -17.905 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.188 5.077 -17.228 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.339 4.342 -16.684 1.00 0.00 H new ATOM 1318 N PRO A 85 1.273 3.330 -12.077 1.00 0.00 N ATOM 1319 CA PRO A 85 1.798 3.100 -10.734 1.00 0.00 C ATOM 1320 C PRO A 85 3.074 3.921 -10.489 1.00 0.00 C ATOM 1321 O PRO A 85 3.854 4.158 -11.417 1.00 0.00 O ATOM 1322 CB PRO A 85 2.056 1.591 -10.650 1.00 0.00 C ATOM 1323 CG PRO A 85 2.370 1.211 -12.097 1.00 0.00 C ATOM 1324 CD PRO A 85 1.479 2.152 -12.907 1.00 0.00 C ATOM 0 HA PRO A 85 1.099 3.420 -9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.887 1.361 -9.983 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.186 1.054 -10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.425 1.355 -12.331 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.138 0.165 -12.298 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.952 2.419 -13.852 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.529 1.676 -13.150 1.00 0.00 H new ATOM 1332 N GLU A 86 3.286 4.365 -9.243 1.00 0.00 N ATOM 1333 CA GLU A 86 4.433 5.193 -8.875 1.00 0.00 C ATOM 1334 C GLU A 86 5.730 4.371 -8.839 1.00 0.00 C ATOM 1335 O GLU A 86 5.707 3.137 -8.786 1.00 0.00 O ATOM 1336 CB GLU A 86 4.167 5.975 -7.575 1.00 0.00 C ATOM 1337 CG GLU A 86 4.557 5.238 -6.289 1.00 0.00 C ATOM 1338 CD GLU A 86 4.384 6.151 -5.073 1.00 0.00 C ATOM 1339 OE1 GLU A 86 5.098 7.183 -5.008 1.00 0.00 O ATOM 1340 OE2 GLU A 86 3.563 5.845 -4.179 1.00 0.00 O ATOM 0 H GLU A 86 2.663 4.157 -8.463 1.00 0.00 H new ATOM 0 HA GLU A 86 4.576 5.943 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.713 6.917 -7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.107 6.223 -7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.940 4.347 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.592 4.903 -6.355 1.00 0.00 H new ATOM 1347 N ILE A 87 6.862 5.078 -8.821 1.00 0.00 N ATOM 1348 CA ILE A 87 8.206 4.547 -8.766 1.00 0.00 C ATOM 1349 C ILE A 87 9.000 5.199 -7.626 1.00 0.00 C ATOM 1350 O ILE A 87 8.541 6.156 -6.992 1.00 0.00 O ATOM 1351 CB ILE A 87 8.876 4.751 -10.142 1.00 0.00 C ATOM 1352 CG1 ILE A 87 9.030 6.217 -10.588 1.00 0.00 C ATOM 1353 CG2 ILE A 87 8.185 3.903 -11.222 1.00 0.00 C ATOM 1354 CD1 ILE A 87 10.026 6.353 -11.758 1.00 0.00 C ATOM 0 H ILE A 87 6.853 6.098 -8.846 1.00 0.00 H new ATOM 0 HA ILE A 87 8.181 3.479 -8.551 1.00 0.00 H new ATOM 0 HB ILE A 87 9.900 4.401 -10.010 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.059 6.610 -10.889 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.372 6.820 -9.747 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.676 4.065 -12.181 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.251 2.848 -10.954 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.137 4.193 -11.297 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.109 7.401 -12.045 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.004 5.983 -11.448 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.670 5.771 -12.608 1.00 0.00 H new ATOM 1366 N ALA A 88 10.230 4.714 -7.430 1.00 0.00 N ATOM 1367 CA ALA A 88 11.252 5.280 -6.542 1.00 0.00 C ATOM 1368 C ALA A 88 10.828 5.372 -5.069 1.00 0.00 C ATOM 1369 O ALA A 88 11.247 6.268 -4.331 1.00 0.00 O ATOM 1370 CB ALA A 88 11.750 6.607 -7.108 1.00 0.00 C ATOM 0 H ALA A 88 10.557 3.875 -7.909 1.00 0.00 H new ATOM 0 HA ALA A 88 12.086 4.578 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.509 7.023 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 88 12.181 6.442 -8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.916 7.304 -7.188 1.00 0.00 H new ATOM 1376 N SER A 89 9.953 4.461 -4.663 1.00 0.00 N ATOM 1377 CA SER A 89 9.595 4.241 -3.264 1.00 0.00 C ATOM 1378 C SER A 89 10.742 3.493 -2.578 1.00 0.00 C ATOM 1379 O SER A 89 11.079 3.849 -1.426 1.00 0.00 O ATOM 1380 CB SER A 89 8.284 3.462 -3.168 1.00 0.00 C ATOM 1381 OG SER A 89 7.262 4.142 -3.891 1.00 0.00 O ATOM 1382 OXT SER A 89 11.316 2.561 -3.191 1.00 0.00 O ATOM 0 H SER A 89 9.462 3.842 -5.308 1.00 0.00 H new ATOM 0 HA SER A 89 9.442 5.196 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.418 2.457 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.991 3.353 -2.124 1.00 0.00 H new ATOM 0 HG SER A 89 6.425 3.637 -3.827 1.00 0.00 H new TER 1388 SER A 89