USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 544 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 15 CYS SG : rot 180:sc= -0.484 USER MOD Set 1.2: A 59 TYR OH : rot -115:sc= 0.0997 USER MOD Single : A 3 TYR OH : rot 152:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -150:sc= -0.096 (180deg=-0.822) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0641 USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= 1.23 (180deg=-0.092) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.333 K(o=0.33,f=-0.82) USER MOD Single : A 31 TYR OH : rot -4:sc= 1.22 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 0.331 (180deg=-0.756) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 11.076 4.418 3.058 1.00 0.00 N ATOM 19 CA ARG A 2 9.628 4.344 3.002 1.00 0.00 C ATOM 20 C ARG A 2 9.162 5.226 1.849 1.00 0.00 C ATOM 21 O ARG A 2 9.945 6.011 1.309 1.00 0.00 O ATOM 22 CB ARG A 2 9.033 4.726 4.369 1.00 0.00 C ATOM 23 CG ARG A 2 8.940 6.226 4.656 1.00 0.00 C ATOM 24 CD ARG A 2 9.047 6.588 6.132 1.00 0.00 C ATOM 25 NE ARG A 2 8.090 5.884 7.000 1.00 0.00 N ATOM 26 CZ ARG A 2 7.948 6.100 8.313 1.00 0.00 C ATOM 27 NH1 ARG A 2 8.703 7.005 8.940 1.00 0.00 N ATOM 28 NH2 ARG A 2 7.039 5.398 8.982 1.00 0.00 N ATOM 0 HA ARG A 2 9.275 3.332 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.033 4.298 4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.636 4.262 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.732 6.739 4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.992 6.600 4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.059 6.370 6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.897 7.662 6.242 1.00 0.00 H new ATOM 0 HE ARG A 2 7.491 5.180 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.397 7.540 8.418 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.586 7.161 9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.466 4.710 8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.915 5.547 9.983 1.00 0.00 H new ATOM 42 N TYR A 3 7.894 5.092 1.474 1.00 0.00 N ATOM 43 CA TYR A 3 7.320 5.783 0.327 1.00 0.00 C ATOM 44 C TYR A 3 5.860 6.069 0.681 1.00 0.00 C ATOM 45 O TYR A 3 5.256 5.334 1.455 1.00 0.00 O ATOM 46 CB TYR A 3 7.522 4.921 -0.947 1.00 0.00 C ATOM 47 CG TYR A 3 8.926 4.353 -1.108 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.925 5.074 -1.792 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.261 3.132 -0.488 1.00 0.00 C ATOM 50 CE1 TYR A 3 11.241 4.571 -1.857 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.568 2.640 -0.553 1.00 0.00 C ATOM 52 CZ TYR A 3 11.560 3.334 -1.264 1.00 0.00 C ATOM 53 OH TYR A 3 12.798 2.789 -1.399 1.00 0.00 O ATOM 0 H TYR A 3 7.229 4.493 1.964 1.00 0.00 H new ATOM 0 HA TYR A 3 7.805 6.733 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.810 4.096 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.286 5.527 -1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.683 6.013 -2.267 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.503 2.573 0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.008 5.137 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.817 1.717 -0.051 1.00 0.00 H new ATOM 0 HH TYR A 3 12.995 2.228 -0.620 1.00 0.00 H new ATOM 63 N VAL A 4 5.265 7.147 0.183 1.00 0.00 N ATOM 64 CA VAL A 4 3.840 7.383 0.334 1.00 0.00 C ATOM 65 C VAL A 4 3.220 7.054 -1.002 1.00 0.00 C ATOM 66 O VAL A 4 3.549 7.684 -1.999 1.00 0.00 O ATOM 67 CB VAL A 4 3.520 8.820 0.778 1.00 0.00 C ATOM 68 CG1 VAL A 4 2.084 8.869 1.288 1.00 0.00 C ATOM 69 CG2 VAL A 4 4.411 9.356 1.894 1.00 0.00 C ATOM 0 H VAL A 4 5.756 7.876 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 4 3.430 6.756 1.126 1.00 0.00 H new ATOM 0 HB VAL A 4 3.689 9.443 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.845 9.884 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.404 8.569 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.974 8.189 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.112 10.375 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.309 8.724 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.450 9.353 1.564 1.00 0.00 H new ATOM 79 N LEU A 5 2.392 6.018 -1.018 1.00 0.00 N ATOM 80 CA LEU A 5 1.637 5.549 -2.175 1.00 0.00 C ATOM 81 C LEU A 5 0.290 6.264 -2.170 1.00 0.00 C ATOM 82 O LEU A 5 -0.199 6.624 -1.092 1.00 0.00 O ATOM 83 CB LEU A 5 1.402 4.041 -2.040 1.00 0.00 C ATOM 84 CG LEU A 5 2.689 3.193 -2.003 1.00 0.00 C ATOM 85 CD1 LEU A 5 3.365 3.168 -0.646 1.00 0.00 C ATOM 86 CD2 LEU A 5 2.356 1.772 -2.479 1.00 0.00 C ATOM 0 H LEU A 5 2.220 5.454 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 5 2.179 5.752 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.833 3.855 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.786 3.706 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 5 3.412 3.661 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.263 2.552 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.638 4.183 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.681 2.751 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.258 1.160 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.605 1.334 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.968 1.811 -3.497 1.00 0.00 H new ATOM 98 N TYR A 6 -0.404 6.339 -3.305 1.00 0.00 N ATOM 99 CA TYR A 6 -1.783 6.811 -3.387 1.00 0.00 C ATOM 100 C TYR A 6 -2.656 5.698 -3.964 1.00 0.00 C ATOM 101 O TYR A 6 -2.547 5.393 -5.147 1.00 0.00 O ATOM 102 CB TYR A 6 -1.836 8.069 -4.255 1.00 0.00 C ATOM 103 CG TYR A 6 -3.216 8.685 -4.374 1.00 0.00 C ATOM 104 CD1 TYR A 6 -4.242 8.439 -3.434 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.470 9.542 -5.452 1.00 0.00 C ATOM 106 CE1 TYR A 6 -5.525 8.973 -3.615 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.734 10.118 -5.609 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.786 9.806 -4.720 1.00 0.00 C ATOM 109 OH TYR A 6 -7.036 10.304 -4.925 1.00 0.00 O ATOM 0 H TYR A 6 -0.016 6.068 -4.208 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.160 7.066 -2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.154 8.811 -3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.473 7.824 -5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.035 7.832 -2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.687 9.758 -6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.311 8.746 -2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.908 10.810 -6.420 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.038 10.860 -5.732 1.00 0.00 H new ATOM 119 N VAL A 7 -3.474 5.047 -3.138 1.00 0.00 N ATOM 120 CA VAL A 7 -4.305 3.910 -3.529 1.00 0.00 C ATOM 121 C VAL A 7 -5.760 4.342 -3.274 1.00 0.00 C ATOM 122 O VAL A 7 -6.300 4.064 -2.199 1.00 0.00 O ATOM 123 CB VAL A 7 -3.845 2.642 -2.765 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.672 1.364 -2.996 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.389 2.259 -3.084 1.00 0.00 C ATOM 0 H VAL A 7 -3.579 5.302 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.214 3.637 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.981 2.959 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.252 0.548 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.704 1.538 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.646 1.100 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.117 1.365 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.290 2.062 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.727 3.079 -2.803 1.00 0.00 H new ATOM 135 N PRO A 8 -6.406 5.064 -4.212 1.00 0.00 N ATOM 136 CA PRO A 8 -7.758 5.578 -4.019 1.00 0.00 C ATOM 137 C PRO A 8 -8.806 4.485 -3.807 1.00 0.00 C ATOM 138 O PRO A 8 -9.862 4.766 -3.240 1.00 0.00 O ATOM 139 CB PRO A 8 -8.071 6.446 -5.236 1.00 0.00 C ATOM 140 CG PRO A 8 -7.133 5.895 -6.302 1.00 0.00 C ATOM 141 CD PRO A 8 -5.897 5.501 -5.504 1.00 0.00 C ATOM 0 HA PRO A 8 -7.800 6.159 -3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.116 6.360 -5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.882 7.501 -5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.568 5.040 -6.819 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.902 6.643 -7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.344 4.704 -6.001 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.213 6.343 -5.395 1.00 0.00 H new ATOM 149 N ASP A 9 -8.502 3.240 -4.189 1.00 0.00 N ATOM 150 CA ASP A 9 -9.377 2.086 -4.017 1.00 0.00 C ATOM 151 C ASP A 9 -9.632 1.792 -2.531 1.00 0.00 C ATOM 152 O ASP A 9 -10.561 1.055 -2.200 1.00 0.00 O ATOM 153 CB ASP A 9 -8.783 0.847 -4.717 1.00 0.00 C ATOM 154 CG ASP A 9 -8.837 0.914 -6.254 1.00 0.00 C ATOM 155 OD1 ASP A 9 -7.990 1.622 -6.856 1.00 0.00 O ATOM 156 OD2 ASP A 9 -9.722 0.255 -6.833 1.00 0.00 O ATOM 0 H ASP A 9 -7.616 3.006 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.335 2.324 -4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.746 0.728 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.321 -0.040 -4.383 1.00 0.00 H new ATOM 161 N ILE A 10 -8.876 2.391 -1.600 1.00 0.00 N ATOM 162 CA ILE A 10 -9.105 2.279 -0.157 1.00 0.00 C ATOM 163 C ILE A 10 -10.257 3.213 0.287 1.00 0.00 C ATOM 164 O ILE A 10 -10.377 3.538 1.468 1.00 0.00 O ATOM 165 CB ILE A 10 -7.807 2.516 0.661 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.624 1.705 0.120 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.961 2.061 2.135 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.282 2.308 0.532 1.00 0.00 C ATOM 0 H ILE A 10 -8.075 2.977 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.411 1.254 0.054 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.627 3.588 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.689 0.680 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.683 1.659 -0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.030 2.245 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.768 2.622 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.193 0.996 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.471 1.702 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.205 3.323 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.211 2.329 1.619 1.00 0.00 H new ATOM 180 N SER A 11 -11.116 3.685 -0.623 1.00 0.00 N ATOM 181 CA SER A 11 -12.310 4.457 -0.284 1.00 0.00 C ATOM 182 C SER A 11 -13.105 3.792 0.861 1.00 0.00 C ATOM 183 O SER A 11 -13.661 4.515 1.694 1.00 0.00 O ATOM 184 CB SER A 11 -13.157 4.663 -1.558 1.00 0.00 C ATOM 185 OG SER A 11 -13.264 6.025 -1.940 1.00 0.00 O ATOM 0 H SER A 11 -10.998 3.539 -1.626 1.00 0.00 H new ATOM 0 HA SER A 11 -12.017 5.438 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.715 4.096 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.156 4.258 -1.393 1.00 0.00 H new ATOM 0 HG SER A 11 -13.808 6.095 -2.752 1.00 0.00 H new ATOM 191 N CYS A 12 -13.123 2.455 0.959 1.00 0.00 N ATOM 192 CA CYS A 12 -13.889 1.699 1.946 1.00 0.00 C ATOM 193 C CYS A 12 -13.018 0.975 2.990 1.00 0.00 C ATOM 194 O CYS A 12 -11.891 0.550 2.726 1.00 0.00 O ATOM 195 CB CYS A 12 -14.766 0.684 1.205 1.00 0.00 C ATOM 196 SG CYS A 12 -15.835 1.492 -0.019 1.00 0.00 S ATOM 0 H CYS A 12 -12.586 1.856 0.331 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.491 2.414 2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.132 -0.050 0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.380 0.140 1.923 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.557 0.596 -0.623 1.00 0.00 H new ATOM 202 N ASN A 13 -13.601 0.735 4.167 1.00 0.00 N ATOM 203 CA ASN A 13 -13.006 0.063 5.324 1.00 0.00 C ATOM 204 C ASN A 13 -12.521 -1.352 5.021 1.00 0.00 C ATOM 205 O ASN A 13 -11.466 -1.735 5.522 1.00 0.00 O ATOM 206 CB ASN A 13 -14.011 0.017 6.496 1.00 0.00 C ATOM 207 CG ASN A 13 -13.779 1.129 7.512 1.00 0.00 C ATOM 208 OD1 ASN A 13 -12.682 1.218 8.073 1.00 0.00 O ATOM 209 ND2 ASN A 13 -14.788 1.942 7.783 1.00 0.00 N ATOM 0 H ASN A 13 -14.562 1.023 4.349 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.131 0.653 5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.025 0.095 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.936 -0.948 6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.677 2.679 8.480 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.677 1.832 7.295 1.00 0.00 H new ATOM 216 N HIS A 14 -13.264 -2.135 4.240 1.00 0.00 N ATOM 217 CA HIS A 14 -12.867 -3.470 3.790 1.00 0.00 C ATOM 218 C HIS A 14 -11.635 -3.390 2.902 1.00 0.00 C ATOM 219 O HIS A 14 -10.718 -4.201 3.035 1.00 0.00 O ATOM 220 CB HIS A 14 -14.052 -4.081 3.025 1.00 0.00 C ATOM 221 CG HIS A 14 -13.795 -5.453 2.449 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.713 -5.792 1.115 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.644 -6.600 3.175 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.524 -7.122 1.050 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.465 -7.664 2.285 1.00 0.00 N ATOM 0 H HIS A 14 -14.181 -1.853 3.894 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.611 -4.096 4.645 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.909 -4.139 3.697 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.328 -3.408 2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.660 -6.673 4.252 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.432 -7.682 0.131 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.320 -8.646 2.520 1.00 0.00 H new ATOM 233 N CYS A 15 -11.607 -2.402 2.013 1.00 0.00 N ATOM 234 CA CYS A 15 -10.557 -2.252 1.032 1.00 0.00 C ATOM 235 C CYS A 15 -9.199 -2.070 1.702 1.00 0.00 C ATOM 236 O CYS A 15 -8.223 -2.631 1.220 1.00 0.00 O ATOM 237 CB CYS A 15 -10.928 -1.115 0.080 1.00 0.00 C ATOM 238 SG CYS A 15 -12.507 -1.543 -0.714 1.00 0.00 S ATOM 0 H CYS A 15 -12.324 -1.679 1.959 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.462 -3.161 0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.017 -0.175 0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.149 -0.976 -0.670 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.853 -0.593 -1.531 1.00 0.00 H new ATOM 244 N LYS A 16 -9.134 -1.398 2.860 1.00 0.00 N ATOM 245 CA LYS A 16 -7.918 -1.285 3.673 1.00 0.00 C ATOM 246 C LYS A 16 -7.254 -2.651 3.861 1.00 0.00 C ATOM 247 O LYS A 16 -6.081 -2.804 3.522 1.00 0.00 O ATOM 248 CB LYS A 16 -8.260 -0.534 4.978 1.00 0.00 C ATOM 249 CG LYS A 16 -7.184 -0.499 6.083 1.00 0.00 C ATOM 250 CD LYS A 16 -7.317 0.813 6.876 1.00 0.00 C ATOM 251 CE LYS A 16 -6.330 1.014 8.026 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.710 0.324 9.271 1.00 0.00 N ATOM 0 H LYS A 16 -9.935 -0.912 3.262 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.159 -0.690 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.509 0.495 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.160 -0.983 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.301 -1.354 6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.190 -0.572 5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.206 1.645 6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.328 0.867 7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.347 0.662 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.236 2.081 8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.994 0.508 10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.633 0.676 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.772 -0.699 9.096 1.00 0.00 H new ATOM 266 N MET A 17 -8.001 -3.661 4.309 1.00 0.00 N ATOM 267 CA MET A 17 -7.446 -4.992 4.532 1.00 0.00 C ATOM 268 C MET A 17 -6.927 -5.679 3.274 1.00 0.00 C ATOM 269 O MET A 17 -6.002 -6.486 3.395 1.00 0.00 O ATOM 270 CB MET A 17 -8.471 -5.908 5.199 1.00 0.00 C ATOM 271 CG MET A 17 -8.220 -6.030 6.703 1.00 0.00 C ATOM 272 SD MET A 17 -7.885 -7.724 7.244 1.00 0.00 S ATOM 273 CE MET A 17 -9.415 -8.503 6.677 1.00 0.00 C ATOM 0 H MET A 17 -8.995 -3.580 4.524 1.00 0.00 H new ATOM 0 HA MET A 17 -6.589 -4.826 5.185 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.474 -5.519 5.027 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.430 -6.896 4.741 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.376 -5.397 6.975 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.089 -5.651 7.240 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.659 -9.342 7.329 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.226 -7.775 6.704 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.284 -8.863 5.656 1.00 0.00 H new ATOM 283 N ARG A 18 -7.501 -5.408 2.089 1.00 0.00 N ATOM 284 CA ARG A 18 -7.048 -6.058 0.852 1.00 0.00 C ATOM 285 C ARG A 18 -5.546 -5.839 0.679 1.00 0.00 C ATOM 286 O ARG A 18 -4.810 -6.789 0.419 1.00 0.00 O ATOM 287 CB ARG A 18 -7.857 -5.596 -0.370 1.00 0.00 C ATOM 288 CG ARG A 18 -9.326 -6.046 -0.266 1.00 0.00 C ATOM 289 CD ARG A 18 -9.920 -6.522 -1.602 1.00 0.00 C ATOM 290 NE ARG A 18 -10.237 -7.967 -1.642 1.00 0.00 N ATOM 291 CZ ARG A 18 -9.352 -8.968 -1.742 1.00 0.00 C ATOM 292 NH1 ARG A 18 -8.070 -8.683 -1.922 1.00 0.00 N ATOM 293 NH2 ARG A 18 -9.757 -10.234 -1.652 1.00 0.00 N ATOM 0 H ARG A 18 -8.271 -4.751 1.964 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.227 -7.130 0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.811 -4.510 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.413 -6.002 -1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.399 -6.853 0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.925 -5.218 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.829 -5.956 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.216 -6.293 -2.402 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.222 -8.225 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.767 -7.711 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.386 -9.436 -2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.744 -10.444 -1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.080 -10.993 -1.729 1.00 0.00 H new ATOM 307 N ILE A 19 -5.098 -4.601 0.905 1.00 0.00 N ATOM 308 CA ILE A 19 -3.691 -4.237 0.915 1.00 0.00 C ATOM 309 C ILE A 19 -2.985 -5.020 2.013 1.00 0.00 C ATOM 310 O ILE A 19 -2.049 -5.758 1.718 1.00 0.00 O ATOM 311 CB ILE A 19 -3.512 -2.711 1.076 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.117 -1.978 -0.133 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.030 -2.320 1.187 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.588 -1.646 0.035 1.00 0.00 C ATOM 0 H ILE A 19 -5.720 -3.814 1.089 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.237 -4.497 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.023 -2.423 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.562 -1.056 -0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.991 -2.595 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.946 -1.239 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.588 -2.810 2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.503 -2.633 0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.948 -1.130 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.155 -2.566 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.719 -1.003 0.905 1.00 0.00 H new ATOM 326 N SER A 20 -3.389 -4.855 3.273 1.00 0.00 N ATOM 327 CA SER A 20 -2.573 -5.235 4.402 1.00 0.00 C ATOM 328 C SER A 20 -2.233 -6.713 4.406 1.00 0.00 C ATOM 329 O SER A 20 -1.077 -7.057 4.634 1.00 0.00 O ATOM 330 CB SER A 20 -3.296 -4.909 5.691 1.00 0.00 C ATOM 331 OG SER A 20 -4.072 -3.723 5.591 1.00 0.00 O ATOM 0 H SER A 20 -4.291 -4.454 3.528 1.00 0.00 H new ATOM 0 HA SER A 20 -1.643 -4.672 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.944 -5.742 5.962 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.568 -4.797 6.495 1.00 0.00 H new ATOM 0 HG SER A 20 -4.522 -3.553 6.445 1.00 0.00 H new ATOM 337 N LYS A 21 -3.215 -7.586 4.146 1.00 0.00 N ATOM 338 CA LYS A 21 -2.930 -9.013 4.159 1.00 0.00 C ATOM 339 C LYS A 21 -1.874 -9.312 3.099 1.00 0.00 C ATOM 340 O LYS A 21 -0.910 -10.018 3.374 1.00 0.00 O ATOM 341 CB LYS A 21 -4.212 -9.840 3.959 1.00 0.00 C ATOM 342 CG LYS A 21 -3.903 -11.352 3.889 1.00 0.00 C ATOM 343 CD LYS A 21 -5.083 -12.221 4.357 1.00 0.00 C ATOM 344 CE LYS A 21 -4.879 -13.736 4.149 1.00 0.00 C ATOM 345 NZ LYS A 21 -3.589 -14.248 4.666 1.00 0.00 N ATOM 0 H LYS A 21 -4.180 -7.335 3.932 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.536 -9.302 5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.903 -9.646 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.710 -9.526 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.644 -11.619 2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.030 -11.569 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.260 -12.032 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.981 -11.911 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.693 -14.272 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.945 -13.958 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.711 -15.227 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.877 -14.224 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.272 -13.653 5.458 1.00 0.00 H new ATOM 359 N ALA A 22 -2.026 -8.739 1.900 1.00 0.00 N ATOM 360 CA ALA A 22 -1.062 -8.911 0.830 1.00 0.00 C ATOM 361 C ALA A 22 0.320 -8.369 1.221 1.00 0.00 C ATOM 362 O ALA A 22 1.316 -8.929 0.775 1.00 0.00 O ATOM 363 CB ALA A 22 -1.590 -8.247 -0.444 1.00 0.00 C ATOM 0 H ALA A 22 -2.820 -8.148 1.654 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.933 -9.977 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.866 -8.376 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.536 -8.708 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.745 -7.183 -0.263 1.00 0.00 H new ATOM 369 N LEU A 23 0.403 -7.313 2.043 1.00 0.00 N ATOM 370 CA LEU A 23 1.656 -6.741 2.537 1.00 0.00 C ATOM 371 C LEU A 23 2.367 -7.683 3.504 1.00 0.00 C ATOM 372 O LEU A 23 3.554 -7.958 3.331 1.00 0.00 O ATOM 373 CB LEU A 23 1.427 -5.393 3.238 1.00 0.00 C ATOM 374 CG LEU A 23 1.032 -4.218 2.330 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.960 -2.947 3.178 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.992 -4.006 1.158 1.00 0.00 C ATOM 0 H LEU A 23 -0.422 -6.823 2.389 1.00 0.00 H new ATOM 0 HA LEU A 23 2.285 -6.588 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.647 -5.524 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.339 -5.124 3.770 1.00 0.00 H new ATOM 0 HG LEU A 23 0.063 -4.455 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.680 -2.104 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.215 -3.075 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.933 -2.755 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.653 -3.161 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.993 -3.802 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.015 -4.903 0.540 1.00 0.00 H new ATOM 388 N GLU A 24 1.680 -8.141 4.548 1.00 0.00 N ATOM 389 CA GLU A 24 2.271 -9.073 5.514 1.00 0.00 C ATOM 390 C GLU A 24 2.721 -10.380 4.840 1.00 0.00 C ATOM 391 O GLU A 24 3.761 -10.943 5.190 1.00 0.00 O ATOM 392 CB GLU A 24 1.296 -9.357 6.669 1.00 0.00 C ATOM 393 CG GLU A 24 0.801 -8.058 7.327 1.00 0.00 C ATOM 394 CD GLU A 24 0.466 -8.226 8.806 1.00 0.00 C ATOM 395 OE1 GLU A 24 -0.362 -9.101 9.147 1.00 0.00 O ATOM 396 OE2 GLU A 24 0.895 -7.363 9.613 1.00 0.00 O ATOM 0 H GLU A 24 0.714 -7.884 4.749 1.00 0.00 H new ATOM 0 HA GLU A 24 3.160 -8.596 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.443 -9.923 6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.788 -9.979 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.566 -7.289 7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.084 -7.704 6.798 1.00 0.00 H new ATOM 403 N GLU A 25 1.970 -10.863 3.845 1.00 0.00 N ATOM 404 CA GLU A 25 2.318 -12.067 3.095 1.00 0.00 C ATOM 405 C GLU A 25 3.522 -11.770 2.187 1.00 0.00 C ATOM 406 O GLU A 25 4.431 -12.596 2.051 1.00 0.00 O ATOM 407 CB GLU A 25 1.095 -12.532 2.280 1.00 0.00 C ATOM 408 CG GLU A 25 -0.050 -13.059 3.177 1.00 0.00 C ATOM 409 CD GLU A 25 -0.317 -14.559 3.054 1.00 0.00 C ATOM 410 OE1 GLU A 25 0.651 -15.347 2.935 1.00 0.00 O ATOM 411 OE2 GLU A 25 -1.502 -14.960 3.093 1.00 0.00 O ATOM 0 H GLU A 25 1.101 -10.426 3.539 1.00 0.00 H new ATOM 0 HA GLU A 25 2.597 -12.871 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.727 -11.702 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.401 -13.317 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.185 -12.829 4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.964 -12.519 2.931 1.00 0.00 H new ATOM 418 N LEU A 26 3.585 -10.566 1.604 1.00 0.00 N ATOM 419 CA LEU A 26 4.710 -10.076 0.819 1.00 0.00 C ATOM 420 C LEU A 26 5.971 -10.029 1.682 1.00 0.00 C ATOM 421 O LEU A 26 7.065 -10.321 1.205 1.00 0.00 O ATOM 422 CB LEU A 26 4.329 -8.713 0.205 1.00 0.00 C ATOM 423 CG LEU A 26 5.460 -7.762 -0.218 1.00 0.00 C ATOM 424 CD1 LEU A 26 6.168 -8.237 -1.487 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.865 -6.372 -0.493 1.00 0.00 C ATOM 0 H LEU A 26 2.825 -9.889 1.672 1.00 0.00 H new ATOM 0 HA LEU A 26 4.937 -10.752 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.711 -8.905 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.704 -8.186 0.927 1.00 0.00 H new ATOM 0 HG LEU A 26 6.189 -7.734 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.959 -7.534 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.601 -9.223 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.450 -8.294 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.660 -5.689 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.126 -6.444 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.386 -5.996 0.411 1.00 0.00 H new ATOM 437 N GLY A 27 5.840 -9.792 2.985 1.00 0.00 N ATOM 438 CA GLY A 27 6.957 -9.725 3.916 1.00 0.00 C ATOM 439 C GLY A 27 7.418 -8.292 4.117 1.00 0.00 C ATOM 440 O GLY A 27 8.615 -8.005 4.235 1.00 0.00 O ATOM 0 H GLY A 27 4.935 -9.638 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.662 -10.153 4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.784 -10.327 3.540 1.00 0.00 H new ATOM 444 N VAL A 28 6.471 -7.358 4.111 1.00 0.00 N ATOM 445 CA VAL A 28 6.601 -6.166 4.933 1.00 0.00 C ATOM 446 C VAL A 28 7.038 -6.459 6.373 1.00 0.00 C ATOM 447 O VAL A 28 6.868 -7.549 6.926 1.00 0.00 O ATOM 448 CB VAL A 28 5.252 -5.413 4.878 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.967 -4.390 5.965 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.257 -4.479 3.649 1.00 0.00 C ATOM 0 H VAL A 28 5.618 -7.404 3.554 1.00 0.00 H new ATOM 0 HA VAL A 28 7.403 -5.546 4.532 1.00 0.00 H new ATOM 0 HB VAL A 28 4.537 -6.235 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.987 -3.944 5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.980 -4.880 6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.729 -3.611 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.311 -3.941 3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.076 -3.765 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.388 -5.071 2.743 1.00 0.00 H new ATOM 460 N LYS A 29 7.614 -5.412 6.975 1.00 0.00 N ATOM 461 CA LYS A 29 7.827 -5.273 8.399 1.00 0.00 C ATOM 462 C LYS A 29 7.256 -3.994 8.973 1.00 0.00 C ATOM 463 O LYS A 29 6.915 -3.941 10.150 1.00 0.00 O ATOM 464 CB LYS A 29 9.341 -5.308 8.601 1.00 0.00 C ATOM 465 CG LYS A 29 10.128 -4.132 7.986 1.00 0.00 C ATOM 466 CD LYS A 29 11.580 -4.544 7.689 1.00 0.00 C ATOM 467 CE LYS A 29 12.334 -3.419 6.975 1.00 0.00 C ATOM 468 NZ LYS A 29 12.845 -2.408 7.922 1.00 0.00 N ATOM 0 H LYS A 29 7.956 -4.608 6.448 1.00 0.00 H new ATOM 0 HA LYS A 29 7.310 -6.077 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.545 -5.337 9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.724 -6.237 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.643 -3.805 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.118 -3.284 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.089 -4.794 8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.588 -5.442 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.166 -3.841 6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.672 -2.939 6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.349 -1.664 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.049 -1.986 8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.497 -2.860 8.594 1.00 0.00 H new ATOM 482 N ASN A 30 7.167 -2.945 8.164 1.00 0.00 N ATOM 483 CA ASN A 30 6.616 -1.685 8.584 1.00 0.00 C ATOM 484 C ASN A 30 5.850 -1.103 7.445 1.00 0.00 C ATOM 485 O ASN A 30 6.304 -1.134 6.300 1.00 0.00 O ATOM 486 CB ASN A 30 7.708 -0.716 9.071 1.00 0.00 C ATOM 487 CG ASN A 30 7.926 -0.734 10.569 1.00 0.00 C ATOM 488 OD1 ASN A 30 6.973 -0.762 11.331 1.00 0.00 O ATOM 489 ND2 ASN A 30 9.167 -0.633 11.003 1.00 0.00 N ATOM 0 H ASN A 30 7.480 -2.956 7.193 1.00 0.00 H new ATOM 0 HA ASN A 30 5.952 -1.850 9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.646 -0.964 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.443 0.296 8.765 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.354 -0.575 12.004 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.940 -0.612 10.338 1.00 0.00 H new ATOM 496 N TYR A 31 4.684 -0.576 7.783 1.00 0.00 N ATOM 497 CA TYR A 31 3.694 -0.115 6.852 1.00 0.00 C ATOM 498 C TYR A 31 2.564 0.572 7.608 1.00 0.00 C ATOM 499 O TYR A 31 2.446 0.441 8.828 1.00 0.00 O ATOM 500 CB TYR A 31 3.147 -1.309 6.063 1.00 0.00 C ATOM 501 CG TYR A 31 2.253 -2.263 6.846 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.797 -3.191 7.768 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.863 -2.265 6.604 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.999 -4.181 8.370 1.00 0.00 C ATOM 505 CE2 TYR A 31 0.049 -3.231 7.231 1.00 0.00 C ATOM 506 CZ TYR A 31 0.611 -4.199 8.101 1.00 0.00 C ATOM 507 OH TYR A 31 -0.210 -5.112 8.695 1.00 0.00 O ATOM 0 H TYR A 31 4.400 -0.458 8.756 1.00 0.00 H new ATOM 0 HA TYR A 31 4.143 0.598 6.160 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.584 -0.930 5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.989 -1.874 5.664 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.847 -3.137 8.014 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.425 -1.532 5.943 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.440 -4.916 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.015 -3.233 7.046 1.00 0.00 H new ATOM 0 HH TYR A 31 0.326 -5.734 9.230 1.00 0.00 H new ATOM 517 N GLU A 32 1.699 1.243 6.862 1.00 0.00 N ATOM 518 CA GLU A 32 0.467 1.836 7.316 1.00 0.00 C ATOM 519 C GLU A 32 -0.511 1.900 6.149 1.00 0.00 C ATOM 520 O GLU A 32 -0.073 1.977 4.999 1.00 0.00 O ATOM 521 CB GLU A 32 0.746 3.228 7.885 1.00 0.00 C ATOM 522 CG GLU A 32 0.981 3.221 9.403 1.00 0.00 C ATOM 523 CD GLU A 32 -0.028 4.153 10.059 1.00 0.00 C ATOM 524 OE1 GLU A 32 -1.204 3.744 10.140 1.00 0.00 O ATOM 525 OE2 GLU A 32 0.357 5.318 10.348 1.00 0.00 O ATOM 0 H GLU A 32 1.855 1.392 5.865 1.00 0.00 H new ATOM 0 HA GLU A 32 0.025 1.232 8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.621 3.648 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.095 3.883 7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.873 2.210 9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.997 3.545 9.629 1.00 0.00 H new ATOM 532 N VAL A 33 -1.814 1.875 6.449 1.00 0.00 N ATOM 533 CA VAL A 33 -2.895 2.068 5.480 1.00 0.00 C ATOM 534 C VAL A 33 -3.935 3.008 6.106 1.00 0.00 C ATOM 535 O VAL A 33 -4.181 2.923 7.310 1.00 0.00 O ATOM 536 CB VAL A 33 -3.519 0.703 5.107 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.619 0.860 4.045 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.499 -0.340 4.621 1.00 0.00 C ATOM 0 H VAL A 33 -2.153 1.716 7.398 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.515 2.514 4.561 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.946 0.330 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.036 -0.118 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.407 1.506 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.194 1.303 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.015 -1.269 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.991 0.034 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.766 -0.526 5.406 1.00 0.00 H new ATOM 548 N SER A 34 -4.612 3.832 5.296 1.00 0.00 N ATOM 549 CA SER A 34 -5.655 4.742 5.741 1.00 0.00 C ATOM 550 C SER A 34 -6.830 4.793 4.775 1.00 0.00 C ATOM 551 O SER A 34 -6.638 4.916 3.565 1.00 0.00 O ATOM 552 CB SER A 34 -5.086 6.145 5.927 1.00 0.00 C ATOM 553 OG SER A 34 -6.036 6.944 6.641 1.00 0.00 O ATOM 0 H SER A 34 -4.440 3.879 4.292 1.00 0.00 H new ATOM 0 HA SER A 34 -6.025 4.361 6.693 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.145 6.100 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.869 6.595 4.958 1.00 0.00 H new ATOM 0 HG SER A 34 -5.676 7.847 6.766 1.00 0.00 H new ATOM 559 N VAL A 35 -8.041 4.718 5.337 1.00 0.00 N ATOM 560 CA VAL A 35 -9.305 4.898 4.626 1.00 0.00 C ATOM 561 C VAL A 35 -9.608 6.373 4.375 1.00 0.00 C ATOM 562 O VAL A 35 -9.888 6.734 3.233 1.00 0.00 O ATOM 563 CB VAL A 35 -10.459 4.200 5.381 1.00 0.00 C ATOM 564 CG1 VAL A 35 -11.807 4.353 4.668 1.00 0.00 C ATOM 565 CG2 VAL A 35 -10.202 2.700 5.556 1.00 0.00 C ATOM 0 H VAL A 35 -8.169 4.524 6.330 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.208 4.426 3.648 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.499 4.695 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.582 3.844 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.055 5.411 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.744 3.913 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.037 2.248 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.102 2.231 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.284 2.552 6.124 1.00 0.00 H new ATOM 575 N GLU A 36 -9.577 7.233 5.395 1.00 0.00 N ATOM 576 CA GLU A 36 -9.915 8.636 5.185 1.00 0.00 C ATOM 577 C GLU A 36 -8.902 9.259 4.225 1.00 0.00 C ATOM 578 O GLU A 36 -9.291 9.987 3.311 1.00 0.00 O ATOM 579 CB GLU A 36 -9.983 9.410 6.508 1.00 0.00 C ATOM 580 CG GLU A 36 -11.250 9.061 7.308 1.00 0.00 C ATOM 581 CD GLU A 36 -11.423 9.969 8.532 1.00 0.00 C ATOM 582 OE1 GLU A 36 -10.481 10.072 9.340 1.00 0.00 O ATOM 583 OE2 GLU A 36 -12.508 10.585 8.709 1.00 0.00 O ATOM 0 H GLU A 36 -9.327 6.988 6.353 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.910 8.694 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.101 9.184 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.965 10.481 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.123 9.152 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.200 8.021 7.632 1.00 0.00 H new ATOM 590 N GLU A 37 -7.617 8.924 4.357 1.00 0.00 N ATOM 591 CA GLU A 37 -6.599 9.534 3.511 1.00 0.00 C ATOM 592 C GLU A 37 -6.443 8.796 2.175 1.00 0.00 C ATOM 593 O GLU A 37 -5.899 9.391 1.246 1.00 0.00 O ATOM 594 CB GLU A 37 -5.271 9.656 4.268 1.00 0.00 C ATOM 595 CG GLU A 37 -5.261 10.836 5.255 1.00 0.00 C ATOM 596 CD GLU A 37 -4.080 11.763 4.969 1.00 0.00 C ATOM 597 OE1 GLU A 37 -2.936 11.420 5.328 1.00 0.00 O ATOM 598 OE2 GLU A 37 -4.242 12.787 4.259 1.00 0.00 O ATOM 0 H GLU A 37 -7.264 8.245 5.031 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.930 10.542 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.080 8.731 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.458 9.779 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.195 11.392 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.198 10.462 6.277 1.00 0.00 H new ATOM 605 N LYS A 38 -6.971 7.570 2.016 1.00 0.00 N ATOM 606 CA LYS A 38 -6.775 6.738 0.811 1.00 0.00 C ATOM 607 C LYS A 38 -5.282 6.562 0.473 1.00 0.00 C ATOM 608 O LYS A 38 -4.871 6.477 -0.689 1.00 0.00 O ATOM 609 CB LYS A 38 -7.622 7.279 -0.361 1.00 0.00 C ATOM 610 CG LYS A 38 -9.085 6.831 -0.249 1.00 0.00 C ATOM 611 CD LYS A 38 -9.982 7.474 -1.314 1.00 0.00 C ATOM 612 CE LYS A 38 -10.334 8.916 -0.933 1.00 0.00 C ATOM 613 NZ LYS A 38 -11.358 9.489 -1.829 1.00 0.00 N ATOM 0 H LYS A 38 -7.551 7.123 2.725 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.137 5.731 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.574 8.368 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.204 6.930 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.137 5.746 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.464 7.084 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.474 7.462 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.895 6.890 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.696 8.942 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.435 9.531 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.568 10.465 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.003 9.488 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.225 8.918 -1.775 1.00 0.00 H new ATOM 627 N LYS A 39 -4.440 6.514 1.505 1.00 0.00 N ATOM 628 CA LYS A 39 -2.991 6.499 1.366 1.00 0.00 C ATOM 629 C LYS A 39 -2.394 5.362 2.181 1.00 0.00 C ATOM 630 O LYS A 39 -3.010 4.877 3.136 1.00 0.00 O ATOM 631 CB LYS A 39 -2.424 7.878 1.739 1.00 0.00 C ATOM 632 CG LYS A 39 -2.457 8.844 0.538 1.00 0.00 C ATOM 633 CD LYS A 39 -1.752 10.178 0.829 1.00 0.00 C ATOM 634 CE LYS A 39 -2.641 11.120 1.650 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.945 11.769 2.778 1.00 0.00 N ATOM 0 H LYS A 39 -4.754 6.484 2.475 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.713 6.309 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.000 8.299 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.398 7.768 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.983 8.367 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.493 9.038 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.824 9.989 1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.481 10.659 -0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.042 11.891 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.491 10.557 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.350 12.713 2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.061 11.192 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.933 11.859 2.556 1.00 0.00 H new ATOM 649 N VAL A 40 -1.178 4.956 1.838 1.00 0.00 N ATOM 650 CA VAL A 40 -0.436 3.824 2.377 1.00 0.00 C ATOM 651 C VAL A 40 1.005 4.292 2.520 1.00 0.00 C ATOM 652 O VAL A 40 1.459 5.195 1.803 1.00 0.00 O ATOM 653 CB VAL A 40 -0.552 2.609 1.415 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.331 1.388 1.728 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.992 2.098 1.341 1.00 0.00 C ATOM 0 H VAL A 40 -0.644 5.447 1.121 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.827 3.498 3.341 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.196 3.029 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.155 0.612 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.380 1.682 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.084 1.004 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.042 1.248 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.320 1.788 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.642 2.893 0.976 1.00 0.00 H new ATOM 665 N VAL A 41 1.725 3.634 3.417 1.00 0.00 N ATOM 666 CA VAL A 41 3.173 3.646 3.466 1.00 0.00 C ATOM 667 C VAL A 41 3.575 2.177 3.559 1.00 0.00 C ATOM 668 O VAL A 41 2.973 1.437 4.329 1.00 0.00 O ATOM 669 CB VAL A 41 3.680 4.428 4.699 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.195 4.638 4.657 1.00 0.00 C ATOM 671 CG2 VAL A 41 3.021 5.801 4.855 1.00 0.00 C ATOM 0 H VAL A 41 1.303 3.063 4.149 1.00 0.00 H new ATOM 0 HA VAL A 41 3.604 4.138 2.594 1.00 0.00 H new ATOM 0 HB VAL A 41 3.407 3.806 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.510 5.192 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.696 3.670 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.459 5.202 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.421 6.298 5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.229 6.407 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.944 5.677 4.964 1.00 0.00 H new ATOM 681 N VAL A 42 4.594 1.755 2.814 1.00 0.00 N ATOM 682 CA VAL A 42 5.480 0.670 3.236 1.00 0.00 C ATOM 683 C VAL A 42 6.886 1.193 3.557 1.00 0.00 C ATOM 684 O VAL A 42 7.331 2.179 2.972 1.00 0.00 O ATOM 685 CB VAL A 42 5.532 -0.456 2.194 1.00 0.00 C ATOM 686 CG1 VAL A 42 4.168 -1.145 2.072 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.998 -0.002 0.801 1.00 0.00 C ATOM 0 H VAL A 42 4.829 2.153 1.905 1.00 0.00 H new ATOM 0 HA VAL A 42 5.064 0.249 4.151 1.00 0.00 H new ATOM 0 HB VAL A 42 6.281 -1.156 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.227 -1.940 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.888 -1.570 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.418 -0.416 1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.007 -0.856 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.316 0.757 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.002 0.416 0.872 1.00 0.00 H new ATOM 697 N GLU A 43 7.609 0.495 4.426 1.00 0.00 N ATOM 698 CA GLU A 43 8.992 0.747 4.788 1.00 0.00 C ATOM 699 C GLU A 43 9.795 -0.499 4.389 1.00 0.00 C ATOM 700 O GLU A 43 9.965 -1.440 5.172 1.00 0.00 O ATOM 701 CB GLU A 43 9.064 1.053 6.288 1.00 0.00 C ATOM 702 CG GLU A 43 10.445 1.516 6.785 1.00 0.00 C ATOM 703 CD GLU A 43 10.537 1.402 8.319 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.179 2.404 8.994 1.00 0.00 O ATOM 705 OE2 GLU A 43 10.924 0.332 8.848 1.00 0.00 O ATOM 0 H GLU A 43 7.220 -0.306 4.923 1.00 0.00 H new ATOM 0 HA GLU A 43 9.412 1.610 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.331 1.825 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.775 0.160 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.225 0.911 6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.620 2.548 6.481 1.00 0.00 H new ATOM 712 N THR A 44 10.215 -0.551 3.127 1.00 0.00 N ATOM 713 CA THR A 44 10.855 -1.716 2.525 1.00 0.00 C ATOM 714 C THR A 44 11.515 -1.198 1.251 1.00 0.00 C ATOM 715 O THR A 44 10.872 -0.459 0.511 1.00 0.00 O ATOM 716 CB THR A 44 9.797 -2.817 2.262 1.00 0.00 C ATOM 717 OG1 THR A 44 10.400 -3.998 1.771 1.00 0.00 O ATOM 718 CG2 THR A 44 8.681 -2.390 1.305 1.00 0.00 C ATOM 0 H THR A 44 10.117 0.233 2.482 1.00 0.00 H new ATOM 0 HA THR A 44 11.603 -2.180 3.168 1.00 0.00 H new ATOM 0 HB THR A 44 9.337 -3.004 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.711 -4.677 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.981 -3.215 1.172 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.155 -1.530 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.112 -2.121 0.341 1.00 0.00 H new ATOM 726 N GLU A 45 12.774 -1.544 0.983 1.00 0.00 N ATOM 727 CA GLU A 45 13.450 -1.082 -0.229 1.00 0.00 C ATOM 728 C GLU A 45 12.788 -1.623 -1.498 1.00 0.00 C ATOM 729 O GLU A 45 12.890 -0.984 -2.542 1.00 0.00 O ATOM 730 CB GLU A 45 14.943 -1.451 -0.227 1.00 0.00 C ATOM 731 CG GLU A 45 15.225 -2.913 0.131 1.00 0.00 C ATOM 732 CD GLU A 45 16.463 -3.454 -0.572 1.00 0.00 C ATOM 733 OE1 GLU A 45 16.388 -3.782 -1.765 1.00 0.00 O ATOM 734 OE2 GLU A 45 17.531 -3.555 0.087 1.00 0.00 O ATOM 0 H GLU A 45 13.344 -2.139 1.585 1.00 0.00 H new ATOM 0 HA GLU A 45 13.359 0.004 -0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.359 -1.243 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.464 -0.807 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.355 -3.002 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.362 -3.523 -0.137 1.00 0.00 H new ATOM 741 N ASN A 46 12.119 -2.780 -1.444 1.00 0.00 N ATOM 742 CA ASN A 46 11.669 -3.483 -2.648 1.00 0.00 C ATOM 743 C ASN A 46 10.285 -3.011 -3.073 1.00 0.00 C ATOM 744 O ASN A 46 9.377 -3.805 -3.326 1.00 0.00 O ATOM 745 CB ASN A 46 11.797 -5.012 -2.490 1.00 0.00 C ATOM 746 CG ASN A 46 12.564 -5.579 -3.672 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.924 -5.793 -4.803 1.00 0.00 O flip ATOM 748 ND2 ASN A 46 13.759 -5.836 -3.566 1.00 0.00 N flip ATOM 0 H ASN A 46 11.877 -3.251 -0.572 1.00 0.00 H new ATOM 0 HA ASN A 46 12.333 -3.225 -3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.312 -5.251 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.808 -5.467 -2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.241 -5.665 -2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.270 -6.221 -4.360 1.00 0.00 H new ATOM 755 N LEU A 47 10.135 -1.687 -3.140 1.00 0.00 N ATOM 756 CA LEU A 47 8.902 -0.987 -3.456 1.00 0.00 C ATOM 757 C LEU A 47 8.284 -1.489 -4.759 1.00 0.00 C ATOM 758 O LEU A 47 7.069 -1.622 -4.815 1.00 0.00 O ATOM 759 CB LEU A 47 9.196 0.516 -3.530 1.00 0.00 C ATOM 760 CG LEU A 47 7.948 1.360 -3.884 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.907 1.358 -2.754 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.359 2.795 -4.208 1.00 0.00 C ATOM 0 H LEU A 47 10.911 -1.049 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 47 8.172 -1.182 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.594 0.850 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.971 0.693 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 47 7.485 0.903 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.050 1.963 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.581 0.336 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.351 1.774 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.473 3.380 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.855 3.236 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.043 2.795 -5.057 1.00 0.00 H new ATOM 774 N ASP A 48 9.086 -1.815 -5.775 1.00 0.00 N ATOM 775 CA ASP A 48 8.585 -2.368 -7.038 1.00 0.00 C ATOM 776 C ASP A 48 7.709 -3.598 -6.778 1.00 0.00 C ATOM 777 O ASP A 48 6.596 -3.682 -7.299 1.00 0.00 O ATOM 778 CB ASP A 48 9.772 -2.719 -7.943 1.00 0.00 C ATOM 779 CG ASP A 48 9.363 -3.420 -9.238 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.391 -3.015 -9.905 1.00 0.00 O ATOM 781 OD2 ASP A 48 10.000 -4.445 -9.579 1.00 0.00 O ATOM 0 H ASP A 48 10.100 -1.704 -5.747 1.00 0.00 H new ATOM 0 HA ASP A 48 7.966 -1.623 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.314 -1.806 -8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.461 -3.361 -7.393 1.00 0.00 H new ATOM 786 N SER A 49 8.158 -4.502 -5.897 1.00 0.00 N ATOM 787 CA SER A 49 7.405 -5.700 -5.534 1.00 0.00 C ATOM 788 C SER A 49 6.112 -5.344 -4.796 1.00 0.00 C ATOM 789 O SER A 49 5.095 -6.016 -4.974 1.00 0.00 O ATOM 790 CB SER A 49 8.254 -6.670 -4.699 1.00 0.00 C ATOM 791 OG SER A 49 7.996 -7.989 -5.135 1.00 0.00 O ATOM 0 H SER A 49 9.055 -4.419 -5.418 1.00 0.00 H new ATOM 0 HA SER A 49 7.138 -6.203 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.313 -6.436 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.013 -6.568 -3.641 1.00 0.00 H new ATOM 0 HG SER A 49 8.534 -8.618 -4.610 1.00 0.00 H new ATOM 797 N VAL A 50 6.126 -4.286 -3.981 1.00 0.00 N ATOM 798 CA VAL A 50 4.953 -3.800 -3.271 1.00 0.00 C ATOM 799 C VAL A 50 3.946 -3.268 -4.299 1.00 0.00 C ATOM 800 O VAL A 50 2.777 -3.631 -4.245 1.00 0.00 O ATOM 801 CB VAL A 50 5.345 -2.717 -2.240 1.00 0.00 C ATOM 802 CG1 VAL A 50 4.098 -2.291 -1.449 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.493 -3.104 -1.274 1.00 0.00 C ATOM 0 H VAL A 50 6.967 -3.739 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 50 4.493 -4.614 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 50 5.745 -1.886 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.372 -1.527 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.352 -1.888 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.684 -3.155 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.690 -2.276 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.205 -3.985 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.393 -3.323 -1.848 1.00 0.00 H new ATOM 813 N LEU A 51 4.368 -2.406 -5.229 1.00 0.00 N ATOM 814 CA LEU A 51 3.499 -1.802 -6.245 1.00 0.00 C ATOM 815 C LEU A 51 2.879 -2.894 -7.125 1.00 0.00 C ATOM 816 O LEU A 51 1.693 -2.824 -7.456 1.00 0.00 O ATOM 817 CB LEU A 51 4.294 -0.794 -7.096 1.00 0.00 C ATOM 818 CG LEU A 51 4.832 0.420 -6.312 1.00 0.00 C ATOM 819 CD1 LEU A 51 5.912 1.133 -7.128 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.742 1.434 -5.941 1.00 0.00 C ATOM 0 H LEU A 51 5.339 -2.103 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 51 2.692 -1.264 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.133 -1.312 -7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.655 -0.435 -7.903 1.00 0.00 H new ATOM 0 HG LEU A 51 5.243 0.025 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.286 1.989 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.732 0.443 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.488 1.475 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.188 2.263 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.272 1.812 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.990 0.949 -5.319 1.00 0.00 H new ATOM 832 N LYS A 52 3.666 -3.940 -7.406 1.00 0.00 N ATOM 833 CA LYS A 52 3.233 -5.184 -8.030 1.00 0.00 C ATOM 834 C LYS A 52 2.115 -5.787 -7.206 1.00 0.00 C ATOM 835 O LYS A 52 1.018 -5.969 -7.719 1.00 0.00 O ATOM 836 CB LYS A 52 4.417 -6.167 -8.161 1.00 0.00 C ATOM 837 CG LYS A 52 4.845 -6.371 -9.613 1.00 0.00 C ATOM 838 CD LYS A 52 4.045 -7.470 -10.320 1.00 0.00 C ATOM 839 CE LYS A 52 4.651 -8.839 -9.979 1.00 0.00 C ATOM 840 NZ LYS A 52 4.322 -9.852 -10.994 1.00 0.00 N ATOM 0 H LYS A 52 4.664 -3.936 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 52 2.865 -4.979 -9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.263 -5.792 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.138 -7.128 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.726 -5.434 -10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.905 -6.624 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.001 -7.434 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.061 -7.311 -11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.734 -8.746 -9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.284 -9.167 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.749 -10.762 -10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.289 -9.959 -11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.695 -9.552 -11.917 1.00 0.00 H new ATOM 854 N LYS A 53 2.388 -6.081 -5.933 1.00 0.00 N ATOM 855 CA LYS A 53 1.459 -6.744 -5.032 1.00 0.00 C ATOM 856 C LYS A 53 0.151 -5.972 -4.918 1.00 0.00 C ATOM 857 O LYS A 53 -0.896 -6.599 -4.798 1.00 0.00 O ATOM 858 CB LYS A 53 2.137 -6.943 -3.663 1.00 0.00 C ATOM 859 CG LYS A 53 1.407 -7.922 -2.737 1.00 0.00 C ATOM 860 CD LYS A 53 1.196 -9.300 -3.386 1.00 0.00 C ATOM 861 CE LYS A 53 1.380 -10.466 -2.409 1.00 0.00 C ATOM 862 NZ LYS A 53 0.862 -11.722 -2.989 1.00 0.00 N ATOM 0 H LYS A 53 3.282 -5.858 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 53 1.200 -7.723 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.154 -7.301 -3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.214 -5.977 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.978 -8.041 -1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.440 -7.503 -2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.192 -9.345 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.896 -9.415 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.437 -10.580 -2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.861 -10.250 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.997 -12.499 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.151 -11.616 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.376 -11.936 -3.867 1.00 0.00 H new ATOM 876 N LEU A 54 0.201 -4.639 -4.942 1.00 0.00 N ATOM 877 CA LEU A 54 -0.966 -3.776 -4.965 1.00 0.00 C ATOM 878 C LEU A 54 -1.770 -3.992 -6.242 1.00 0.00 C ATOM 879 O LEU A 54 -2.966 -4.268 -6.172 1.00 0.00 O ATOM 880 CB LEU A 54 -0.479 -2.326 -4.809 1.00 0.00 C ATOM 881 CG LEU A 54 -0.470 -1.819 -3.361 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.870 -1.335 -2.961 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.035 -2.796 -2.287 1.00 0.00 C ATOM 0 H LEU A 54 1.081 -4.123 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.642 -4.012 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.529 -2.247 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.116 -1.674 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 54 0.262 -1.012 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.851 -0.978 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.177 -0.524 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.578 -2.159 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.009 -2.316 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.592 -3.688 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.065 -3.078 -2.507 1.00 0.00 H new ATOM 895 N GLU A 55 -1.147 -3.873 -7.414 1.00 0.00 N ATOM 896 CA GLU A 55 -1.905 -3.976 -8.656 1.00 0.00 C ATOM 897 C GLU A 55 -2.463 -5.398 -8.844 1.00 0.00 C ATOM 898 O GLU A 55 -3.554 -5.582 -9.385 1.00 0.00 O ATOM 899 CB GLU A 55 -1.036 -3.536 -9.843 1.00 0.00 C ATOM 900 CG GLU A 55 -1.889 -2.830 -10.907 1.00 0.00 C ATOM 901 CD GLU A 55 -1.732 -3.482 -12.274 1.00 0.00 C ATOM 902 OE1 GLU A 55 -2.398 -4.518 -12.500 1.00 0.00 O ATOM 903 OE2 GLU A 55 -0.918 -2.975 -13.075 1.00 0.00 O ATOM 0 H GLU A 55 -0.147 -3.710 -7.528 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.762 -3.304 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.250 -2.865 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.544 -4.404 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.937 -2.855 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.600 -1.781 -10.968 1.00 0.00 H new ATOM 910 N GLU A 56 -1.741 -6.394 -8.325 1.00 0.00 N ATOM 911 CA GLU A 56 -2.081 -7.812 -8.354 1.00 0.00 C ATOM 912 C GLU A 56 -3.265 -8.190 -7.468 1.00 0.00 C ATOM 913 O GLU A 56 -3.865 -9.242 -7.697 1.00 0.00 O ATOM 914 CB GLU A 56 -0.866 -8.616 -7.884 1.00 0.00 C ATOM 915 CG GLU A 56 0.068 -9.010 -9.035 1.00 0.00 C ATOM 916 CD GLU A 56 0.103 -10.532 -9.134 1.00 0.00 C ATOM 917 OE1 GLU A 56 -0.823 -11.131 -9.722 1.00 0.00 O ATOM 918 OE2 GLU A 56 0.989 -11.122 -8.455 1.00 0.00 O ATOM 0 H GLU A 56 -0.856 -6.220 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.365 -8.038 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.308 -8.029 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.207 -9.517 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.283 -8.578 -9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.070 -8.619 -8.860 1.00 0.00 H new ATOM 925 N ILE A 57 -3.611 -7.385 -6.461 1.00 0.00 N ATOM 926 CA ILE A 57 -4.873 -7.522 -5.730 1.00 0.00 C ATOM 927 C ILE A 57 -5.965 -6.663 -6.379 1.00 0.00 C ATOM 928 O ILE A 57 -6.992 -6.394 -5.756 1.00 0.00 O ATOM 929 CB ILE A 57 -4.707 -7.255 -4.222 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.238 -5.817 -3.954 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.769 -8.293 -3.582 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.458 -5.327 -2.531 1.00 0.00 C ATOM 0 H ILE A 57 -3.024 -6.620 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.196 -8.561 -5.801 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.684 -7.362 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.175 -5.747 -4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.759 -5.147 -4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.667 -8.084 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.185 -9.291 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.789 -8.240 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.096 -4.303 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.522 -5.358 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.914 -5.968 -1.837 1.00 0.00 H new ATOM 944 N ASP A 58 -5.748 -6.231 -7.626 1.00 0.00 N ATOM 945 CA ASP A 58 -6.671 -5.477 -8.457 1.00 0.00 C ATOM 946 C ASP A 58 -6.722 -4.015 -7.976 1.00 0.00 C ATOM 947 O ASP A 58 -7.706 -3.330 -8.235 1.00 0.00 O ATOM 948 CB ASP A 58 -8.076 -6.130 -8.538 1.00 0.00 C ATOM 949 CG ASP A 58 -8.140 -7.672 -8.528 1.00 0.00 C ATOM 950 OD1 ASP A 58 -7.826 -8.342 -9.541 1.00 0.00 O ATOM 951 OD2 ASP A 58 -8.555 -8.254 -7.495 1.00 0.00 O ATOM 0 H ASP A 58 -4.866 -6.414 -8.104 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.298 -5.489 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.668 -5.762 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.560 -5.778 -9.449 1.00 0.00 H new ATOM 956 N TYR A 59 -5.716 -3.520 -7.234 1.00 0.00 N ATOM 957 CA TYR A 59 -5.697 -2.180 -6.641 1.00 0.00 C ATOM 958 C TYR A 59 -4.544 -1.377 -7.271 1.00 0.00 C ATOM 959 O TYR A 59 -3.435 -1.334 -6.725 1.00 0.00 O ATOM 960 CB TYR A 59 -5.586 -2.247 -5.106 1.00 0.00 C ATOM 961 CG TYR A 59 -6.846 -2.547 -4.301 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.799 -3.497 -4.715 1.00 0.00 C ATOM 963 CD2 TYR A 59 -7.043 -1.883 -3.078 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.937 -3.763 -3.940 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.156 -2.171 -2.271 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.123 -3.097 -2.715 1.00 0.00 C ATOM 967 OH TYR A 59 -10.209 -3.375 -1.950 1.00 0.00 O ATOM 0 H TYR A 59 -4.874 -4.058 -7.027 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.638 -1.672 -6.854 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.845 -3.008 -4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.190 -1.292 -4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.651 -4.029 -5.643 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.328 -1.141 -2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.670 -4.478 -4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.271 -1.685 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.779 -2.580 -1.890 1.00 0.00 H new ATOM 977 N PRO A 60 -4.759 -0.754 -8.441 1.00 0.00 N ATOM 978 CA PRO A 60 -3.756 0.060 -9.106 1.00 0.00 C ATOM 979 C PRO A 60 -3.521 1.352 -8.322 1.00 0.00 C ATOM 980 O PRO A 60 -4.432 2.174 -8.177 1.00 0.00 O ATOM 981 CB PRO A 60 -4.293 0.328 -10.510 1.00 0.00 C ATOM 982 CG PRO A 60 -5.806 0.183 -10.362 1.00 0.00 C ATOM 983 CD PRO A 60 -5.948 -0.874 -9.267 1.00 0.00 C ATOM 0 HA PRO A 60 -2.789 -0.441 -9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.020 1.324 -10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.893 -0.383 -11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.275 1.125 -10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.273 -0.136 -11.294 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.851 -0.708 -8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.026 -1.873 -9.696 1.00 0.00 H new ATOM 991 N VAL A 61 -2.318 1.519 -7.781 1.00 0.00 N ATOM 992 CA VAL A 61 -1.855 2.745 -7.148 1.00 0.00 C ATOM 993 C VAL A 61 -1.819 3.856 -8.213 1.00 0.00 C ATOM 994 O VAL A 61 -1.345 3.622 -9.329 1.00 0.00 O ATOM 995 CB VAL A 61 -0.501 2.458 -6.450 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.637 2.091 -7.391 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.007 3.619 -5.594 1.00 0.00 C ATOM 0 H VAL A 61 -1.617 0.778 -7.772 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.525 3.099 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.744 1.595 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.543 1.908 -6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.374 1.191 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.811 2.910 -8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.945 3.353 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.127 4.501 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.739 3.834 -4.815 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.300 5.058 -7.877 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.172 6.253 -8.705 1.00 0.00 C ATOM 1009 C GLU A 62 -0.669 6.581 -8.821 1.00 0.00 C ATOM 1010 O GLU A 62 -0.140 6.599 -9.937 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.062 7.397 -8.143 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.248 8.592 -9.110 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.505 9.489 -8.902 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.573 9.071 -8.385 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -4.460 10.690 -9.267 1.00 0.00 O ATOM 0 H GLU A 62 -2.799 5.226 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.545 6.099 -9.718 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.042 6.990 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.622 7.761 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.365 9.226 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.276 8.202 -10.127 1.00 0.00 H new ATOM 1022 N SER A 63 0.045 6.767 -7.695 1.00 0.00 N ATOM 1023 CA SER A 63 1.505 6.955 -7.684 1.00 0.00 C ATOM 1024 C SER A 63 2.143 6.701 -6.316 1.00 0.00 C ATOM 1025 O SER A 63 1.443 6.343 -5.371 1.00 0.00 O ATOM 1026 CB SER A 63 1.797 8.380 -8.146 1.00 0.00 C ATOM 1027 OG SER A 63 1.230 9.343 -7.283 1.00 0.00 O ATOM 0 H SER A 63 -0.377 6.791 -6.766 1.00 0.00 H new ATOM 0 HA SER A 63 1.946 6.219 -8.355 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.875 8.530 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.406 8.522 -9.154 1.00 0.00 H new ATOM 0 HG SER A 63 1.441 10.242 -7.612 1.00 0.00 H new ATOM 1033 N TYR A 64 3.456 6.919 -6.185 1.00 0.00 N ATOM 1034 CA TYR A 64 4.162 7.009 -4.910 1.00 0.00 C ATOM 1035 C TYR A 64 5.090 8.244 -4.899 1.00 0.00 C ATOM 1036 O TYR A 64 5.100 9.026 -5.855 1.00 0.00 O ATOM 1037 CB TYR A 64 4.892 5.688 -4.600 1.00 0.00 C ATOM 1038 CG TYR A 64 6.006 5.404 -5.591 1.00 0.00 C ATOM 1039 CD1 TYR A 64 5.728 4.682 -6.768 1.00 0.00 C ATOM 1040 CD2 TYR A 64 7.293 5.947 -5.394 1.00 0.00 C ATOM 1041 CE1 TYR A 64 6.733 4.487 -7.732 1.00 0.00 C ATOM 1042 CE2 TYR A 64 8.287 5.787 -6.373 1.00 0.00 C ATOM 1043 CZ TYR A 64 8.017 5.045 -7.541 1.00 0.00 C ATOM 1044 OH TYR A 64 8.968 4.893 -8.500 1.00 0.00 O ATOM 0 H TYR A 64 4.072 7.041 -6.989 1.00 0.00 H new ATOM 0 HA TYR A 64 3.444 7.154 -4.103 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.306 5.731 -3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.176 4.866 -4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.740 4.277 -6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.515 6.488 -4.486 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.523 3.910 -8.620 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.260 6.233 -6.231 1.00 0.00 H new ATOM 0 HH TYR A 64 9.794 5.337 -8.215 1.00 0.00 H new ATOM 1054 N GLN A 65 5.845 8.435 -3.809 1.00 0.00 N ATOM 1055 CA GLN A 65 6.891 9.426 -3.597 1.00 0.00 C ATOM 1056 C GLN A 65 7.778 8.921 -2.444 1.00 0.00 C ATOM 1057 O GLN A 65 7.265 8.278 -1.528 1.00 0.00 O ATOM 1058 CB GLN A 65 6.254 10.799 -3.290 1.00 0.00 C ATOM 1059 CG GLN A 65 5.304 10.856 -2.073 1.00 0.00 C ATOM 1060 CD GLN A 65 4.020 11.658 -2.335 1.00 0.00 C ATOM 1061 OE1 GLN A 65 3.212 11.299 -3.191 1.00 0.00 O ATOM 1062 NE2 GLN A 65 3.785 12.741 -1.607 1.00 0.00 N ATOM 0 H GLN A 65 5.723 7.845 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 65 7.506 9.558 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.056 11.521 -3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.701 11.124 -4.171 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.036 9.840 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.833 11.298 -1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.457 13.035 -0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.932 13.280 -1.755 1.00 0.00 H new ATOM 1071 N GLU A 66 9.092 9.158 -2.489 1.00 0.00 N ATOM 1072 CA GLU A 66 10.081 8.829 -1.461 1.00 0.00 C ATOM 1073 C GLU A 66 9.872 9.680 -0.214 1.00 0.00 C ATOM 1074 O GLU A 66 9.612 10.885 -0.350 1.00 0.00 O ATOM 1075 CB GLU A 66 11.488 9.131 -2.018 1.00 0.00 C ATOM 1076 CG GLU A 66 12.521 8.178 -1.425 1.00 0.00 C ATOM 1077 CD GLU A 66 13.968 8.665 -1.571 1.00 0.00 C ATOM 1078 OE1 GLU A 66 14.295 9.765 -1.070 1.00 0.00 O ATOM 1079 OE2 GLU A 66 14.788 7.908 -2.162 1.00 0.00 O ATOM 0 H GLU A 66 9.519 9.613 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 66 9.974 7.777 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.482 9.038 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.762 10.161 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.302 8.032 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.424 7.206 -1.908 1.00 0.00 H new ATOM 1086 N VAL A 67 10.036 9.087 0.975 1.00 0.00 N ATOM 1087 CA VAL A 67 9.905 9.770 2.258 1.00 0.00 C ATOM 1088 C VAL A 67 10.812 9.119 3.306 1.00 0.00 C ATOM 1089 O VAL A 67 10.823 9.606 4.465 1.00 0.00 O ATOM 1090 CB VAL A 67 8.431 9.750 2.710 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.631 10.930 2.164 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.679 8.483 2.310 1.00 0.00 C ATOM 0 H VAL A 67 10.268 8.098 1.069 1.00 0.00 H new ATOM 0 HA VAL A 67 10.219 10.808 2.145 1.00 0.00 H new ATOM 0 HB VAL A 67 8.503 9.802 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.601 10.864 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.074 11.863 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.646 10.907 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.650 8.544 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.685 8.384 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.165 7.615 2.756 1.00 0.00 H new