USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 873 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 105 THR OG1 : rot 69:sc= 0.247 USER MOD Set 1.2: A 106 CYS SG : rot 16:sc= -0.593 USER MOD Set 2.1: A 52 SER OG : rot 73:sc= 0.945 USER MOD Set 2.2: A 81 TYR OH : rot 3:sc= 0.476 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0744 (180deg=-0.457) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.447 (180deg=0.087) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 85:sc= 0.00113 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0734 X(o=-0.073,f=-0.52) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.19) USER MOD Single : A 35 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.03) USER MOD Single : A 37 THR OG1 : rot 169:sc= 0.00303 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.9) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 0.389 (180deg=0.0576) USER MOD Single : A 53 GLN : amide:sc= 0.0861 X(o=0.086,f=-0.21) USER MOD Single : A 54 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -110:sc= -0.818! (180deg=-3.21!) USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 0.906 (180deg=-0.0263) USER MOD Single : A 62 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-5!) USER MOD Single : A 63 CYS SG : rot 50:sc= -3.23! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00399 USER MOD Single : A 76 MET CE :methyl -114:sc= -0.507 (180deg=-1.38!) USER MOD Single : A 77 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-2.2!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 9:sc= -0.0749 USER MOD Single : A 89 ASN : amide:sc= 0.525 K(o=0.53,f=-1.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 167:sc= -3.72! (180deg=-4.11!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -169:sc= -0.0138 (180deg=-0.135) USER MOD Single : A 109 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00241) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.265 15.853 -7.950 1.00 0.00 N ATOM 2 CA MET A 1 -6.743 15.369 -6.652 1.00 0.00 C ATOM 3 C MET A 1 -5.940 14.062 -6.918 1.00 0.00 C ATOM 4 O MET A 1 -5.315 13.942 -7.975 1.00 0.00 O ATOM 5 CB MET A 1 -7.941 15.196 -5.667 1.00 0.00 C ATOM 6 CG MET A 1 -7.571 15.224 -4.170 1.00 0.00 C ATOM 7 SD MET A 1 -8.996 15.051 -3.068 1.00 0.00 S ATOM 8 CE MET A 1 -9.961 16.508 -3.476 1.00 0.00 C ATOM 0 H1 MET A 1 -7.471 16.870 -7.884 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.554 15.691 -8.692 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.137 15.338 -8.187 1.00 0.00 H new ATOM 0 HA MET A 1 -6.059 16.075 -6.181 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.666 15.986 -5.860 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.436 14.249 -5.885 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.863 14.421 -3.964 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.062 16.162 -3.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.690 16.694 -2.688 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.299 17.369 -3.568 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.481 16.347 -4.421 1.00 0.00 H new ATOM 20 N LEU A 2 -5.921 13.103 -5.968 1.00 0.00 N ATOM 21 CA LEU A 2 -5.163 11.840 -6.106 1.00 0.00 C ATOM 22 C LEU A 2 -5.969 10.726 -6.812 1.00 0.00 C ATOM 23 O LEU A 2 -5.480 9.598 -6.915 1.00 0.00 O ATOM 24 CB LEU A 2 -4.659 11.342 -4.720 1.00 0.00 C ATOM 25 CG LEU A 2 -5.686 10.652 -3.759 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.958 10.040 -2.550 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.804 11.602 -3.294 1.00 0.00 C ATOM 0 H LEU A 2 -6.429 13.181 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.307 12.065 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.844 10.639 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.235 12.197 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.170 9.859 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.684 9.564 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.240 9.297 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.434 10.825 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.484 11.067 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.366 12.446 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.355 11.967 -4.161 1.00 0.00 H new ATOM 39 N GLU A 3 -7.189 11.035 -7.295 1.00 0.00 N ATOM 40 CA GLU A 3 -8.099 10.020 -7.887 1.00 0.00 C ATOM 41 C GLU A 3 -7.479 9.329 -9.139 1.00 0.00 C ATOM 42 O GLU A 3 -7.777 8.167 -9.421 1.00 0.00 O ATOM 43 CB GLU A 3 -9.503 10.608 -8.229 1.00 0.00 C ATOM 44 CG GLU A 3 -9.566 11.615 -9.400 1.00 0.00 C ATOM 45 CD GLU A 3 -8.879 12.961 -9.118 1.00 0.00 C ATOM 46 OE1 GLU A 3 -9.517 13.860 -8.530 1.00 0.00 O ATOM 47 OE2 GLU A 3 -7.695 13.122 -9.463 1.00 0.00 O ATOM 0 H GLU A 3 -7.572 11.980 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.235 9.260 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.173 9.779 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.893 11.098 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.105 11.162 -10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.611 11.799 -9.649 1.00 0.00 H new ATOM 54 N ASP A 4 -6.612 10.063 -9.871 1.00 0.00 N ATOM 55 CA ASP A 4 -5.844 9.521 -11.025 1.00 0.00 C ATOM 56 C ASP A 4 -4.787 8.480 -10.577 1.00 0.00 C ATOM 57 O ASP A 4 -4.446 7.568 -11.332 1.00 0.00 O ATOM 58 CB ASP A 4 -5.150 10.666 -11.811 1.00 0.00 C ATOM 59 CG ASP A 4 -6.136 11.565 -12.583 1.00 0.00 C ATOM 60 OD1 ASP A 4 -6.565 11.175 -13.692 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.480 12.658 -12.098 1.00 0.00 O ATOM 0 H ASP A 4 -6.422 11.047 -9.683 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.560 9.019 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.579 11.280 -11.115 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.437 10.234 -12.514 1.00 0.00 H new ATOM 66 N TYR A 5 -4.280 8.639 -9.340 1.00 0.00 N ATOM 67 CA TYR A 5 -3.235 7.760 -8.747 1.00 0.00 C ATOM 68 C TYR A 5 -3.837 6.460 -8.166 1.00 0.00 C ATOM 69 O TYR A 5 -3.117 5.652 -7.556 1.00 0.00 O ATOM 70 CB TYR A 5 -2.455 8.535 -7.649 1.00 0.00 C ATOM 71 CG TYR A 5 -1.693 9.765 -8.174 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.359 10.961 -8.469 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.311 9.730 -8.383 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.679 12.062 -8.948 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.371 10.831 -8.861 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.317 11.994 -9.141 1.00 0.00 C ATOM 77 OH TYR A 5 0.361 13.096 -9.614 1.00 0.00 O ATOM 0 H TYR A 5 -4.582 9.385 -8.713 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.549 7.471 -9.543 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.155 8.856 -6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.746 7.857 -7.174 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.427 11.023 -8.319 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.234 8.823 -8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.213 12.974 -9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.439 10.782 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 5 1.315 12.884 -9.693 1.00 0.00 H new ATOM 87 N ALA A 6 -5.163 6.288 -8.337 1.00 0.00 N ATOM 88 CA ALA A 6 -5.868 5.051 -7.982 1.00 0.00 C ATOM 89 C ALA A 6 -5.474 3.937 -8.950 1.00 0.00 C ATOM 90 O ALA A 6 -5.591 4.102 -10.165 1.00 0.00 O ATOM 91 CB ALA A 6 -7.390 5.267 -8.013 1.00 0.00 C ATOM 0 H ALA A 6 -5.772 7.008 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.584 4.764 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.895 4.338 -7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.662 6.045 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.694 5.571 -9.015 1.00 0.00 H new ATOM 97 N ILE A 7 -4.971 2.829 -8.408 1.00 0.00 N ATOM 98 CA ILE A 7 -4.645 1.624 -9.176 1.00 0.00 C ATOM 99 C ILE A 7 -5.530 0.483 -8.655 1.00 0.00 C ATOM 100 O ILE A 7 -5.678 0.316 -7.440 1.00 0.00 O ATOM 101 CB ILE A 7 -3.111 1.251 -9.082 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.226 2.496 -9.455 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.772 0.037 -9.993 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.724 2.245 -9.530 1.00 0.00 C ATOM 0 H ILE A 7 -4.775 2.740 -7.411 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.841 1.804 -10.233 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.891 0.963 -8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.560 2.879 -10.419 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.408 3.280 -8.720 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.711 -0.197 -9.908 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.360 -0.827 -9.682 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.008 0.282 -11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.213 3.171 -9.794 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.365 1.896 -8.562 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.519 1.489 -10.288 1.00 0.00 H new ATOM 116 N SER A 8 -6.163 -0.252 -9.578 1.00 0.00 N ATOM 117 CA SER A 8 -6.983 -1.433 -9.257 1.00 0.00 C ATOM 118 C SER A 8 -6.108 -2.698 -9.268 1.00 0.00 C ATOM 119 O SER A 8 -5.072 -2.738 -9.944 1.00 0.00 O ATOM 120 CB SER A 8 -8.126 -1.569 -10.283 1.00 0.00 C ATOM 121 OG SER A 8 -8.917 -0.400 -10.322 1.00 0.00 O ATOM 0 H SER A 8 -6.122 -0.045 -10.576 1.00 0.00 H new ATOM 0 HA SER A 8 -7.412 -1.311 -8.262 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.710 -1.763 -11.272 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.750 -2.425 -10.026 1.00 0.00 H new ATOM 0 HG SER A 8 -8.504 0.254 -10.923 1.00 0.00 H new ATOM 127 N LEU A 9 -6.532 -3.719 -8.514 1.00 0.00 N ATOM 128 CA LEU A 9 -5.846 -5.029 -8.444 1.00 0.00 C ATOM 129 C LEU A 9 -5.801 -5.731 -9.831 1.00 0.00 C ATOM 130 O LEU A 9 -4.847 -6.454 -10.151 1.00 0.00 O ATOM 131 CB LEU A 9 -6.556 -5.906 -7.371 1.00 0.00 C ATOM 132 CG LEU A 9 -6.135 -7.406 -7.277 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.613 -7.573 -7.073 1.00 0.00 C ATOM 134 CD2 LEU A 9 -6.934 -8.119 -6.169 1.00 0.00 C ATOM 0 H LEU A 9 -7.366 -3.666 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.807 -4.878 -8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.389 -5.447 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.629 -5.868 -7.561 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.373 -7.877 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.368 -8.633 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.082 -7.125 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.313 -7.079 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.629 -9.164 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.740 -7.635 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.999 -8.063 -6.395 1.00 0.00 H new ATOM 146 N GLU A 10 -6.822 -5.467 -10.652 1.00 0.00 N ATOM 147 CA GLU A 10 -6.965 -6.058 -11.996 1.00 0.00 C ATOM 148 C GLU A 10 -5.956 -5.471 -13.016 1.00 0.00 C ATOM 149 O GLU A 10 -5.740 -6.056 -14.086 1.00 0.00 O ATOM 150 CB GLU A 10 -8.416 -5.846 -12.491 1.00 0.00 C ATOM 151 CG GLU A 10 -8.811 -4.370 -12.719 1.00 0.00 C ATOM 152 CD GLU A 10 -10.253 -4.208 -13.210 1.00 0.00 C ATOM 153 OE1 GLU A 10 -10.548 -4.640 -14.349 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.102 -3.674 -12.464 1.00 0.00 O ATOM 0 H GLU A 10 -7.581 -4.832 -10.405 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.745 -7.123 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.550 -6.392 -13.425 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.101 -6.283 -11.764 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.685 -3.817 -11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.132 -3.926 -13.447 1.00 0.00 H new ATOM 161 N GLU A 11 -5.347 -4.316 -12.679 1.00 0.00 N ATOM 162 CA GLU A 11 -4.426 -3.586 -13.584 1.00 0.00 C ATOM 163 C GLU A 11 -3.054 -3.332 -12.921 1.00 0.00 C ATOM 164 O GLU A 11 -2.209 -2.637 -13.500 1.00 0.00 O ATOM 165 CB GLU A 11 -5.076 -2.234 -14.012 1.00 0.00 C ATOM 166 CG GLU A 11 -5.339 -1.257 -12.840 1.00 0.00 C ATOM 167 CD GLU A 11 -5.934 0.105 -13.241 1.00 0.00 C ATOM 168 OE1 GLU A 11 -5.569 0.639 -14.309 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.748 0.666 -12.470 1.00 0.00 O ATOM 0 H GLU A 11 -5.477 -3.861 -11.775 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.254 -4.206 -14.464 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.427 -1.746 -14.739 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.020 -2.441 -14.516 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.016 -1.737 -12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.400 -1.084 -12.315 1.00 0.00 H new ATOM 176 N VAL A 12 -2.818 -3.909 -11.726 1.00 0.00 N ATOM 177 CA VAL A 12 -1.606 -3.613 -10.927 1.00 0.00 C ATOM 178 C VAL A 12 -0.424 -4.534 -11.287 1.00 0.00 C ATOM 179 O VAL A 12 -0.613 -5.662 -11.748 1.00 0.00 O ATOM 180 CB VAL A 12 -1.893 -3.706 -9.377 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.112 -5.156 -8.890 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.788 -3.012 -8.549 1.00 0.00 C ATOM 0 H VAL A 12 -3.448 -4.582 -11.291 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.328 -2.589 -11.177 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.829 -3.172 -9.215 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.305 -5.154 -7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.965 -5.590 -9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.221 -5.748 -9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.021 -3.097 -7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.171 -3.490 -8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.734 -1.959 -8.825 1.00 0.00 H new ATOM 192 N ASN A 13 0.797 -4.006 -11.102 1.00 0.00 N ATOM 193 CA ASN A 13 2.042 -4.784 -11.089 1.00 0.00 C ATOM 194 C ASN A 13 2.777 -4.457 -9.773 1.00 0.00 C ATOM 195 O ASN A 13 3.516 -3.471 -9.712 1.00 0.00 O ATOM 196 CB ASN A 13 2.937 -4.433 -12.316 1.00 0.00 C ATOM 197 CG ASN A 13 2.259 -4.658 -13.669 1.00 0.00 C ATOM 198 OD1 ASN A 13 2.340 -5.742 -14.246 1.00 0.00 O ATOM 199 ND2 ASN A 13 1.585 -3.638 -14.191 1.00 0.00 N ATOM 0 H ASN A 13 0.947 -3.008 -10.955 1.00 0.00 H new ATOM 0 HA ASN A 13 1.819 -5.849 -11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.241 -3.389 -12.243 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.846 -5.033 -12.273 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.118 -3.743 -15.092 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.534 -2.751 -13.691 1.00 0.00 H new ATOM 206 N PHE A 14 2.525 -5.249 -8.702 1.00 0.00 N ATOM 207 CA PHE A 14 3.161 -5.026 -7.368 1.00 0.00 C ATOM 208 C PHE A 14 4.698 -5.084 -7.469 1.00 0.00 C ATOM 209 O PHE A 14 5.406 -4.310 -6.824 1.00 0.00 O ATOM 210 CB PHE A 14 2.662 -6.055 -6.311 1.00 0.00 C ATOM 211 CG PHE A 14 1.207 -5.866 -5.882 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.813 -4.714 -5.209 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.245 -6.840 -6.128 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.494 -4.544 -4.802 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.062 -6.668 -5.720 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.431 -5.520 -5.058 1.00 0.00 C ATOM 0 H PHE A 14 1.889 -6.046 -8.730 1.00 0.00 H new ATOM 0 HA PHE A 14 2.866 -4.029 -7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.781 -7.060 -6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.299 -5.989 -5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.540 -3.943 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.525 -7.745 -6.646 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.783 -3.643 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.795 -7.435 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.454 -5.384 -4.740 1.00 0.00 H new ATOM 226 N ASN A 15 5.178 -5.990 -8.326 1.00 0.00 N ATOM 227 CA ASN A 15 6.619 -6.179 -8.615 1.00 0.00 C ATOM 228 C ASN A 15 7.264 -4.928 -9.266 1.00 0.00 C ATOM 229 O ASN A 15 8.486 -4.771 -9.227 1.00 0.00 O ATOM 230 CB ASN A 15 6.802 -7.432 -9.520 1.00 0.00 C ATOM 231 CG ASN A 15 5.972 -7.371 -10.805 1.00 0.00 C ATOM 232 OD1 ASN A 15 4.801 -7.769 -10.822 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.553 -6.868 -11.880 1.00 0.00 N ATOM 0 H ASN A 15 4.576 -6.625 -8.850 1.00 0.00 H new ATOM 0 HA ASN A 15 7.135 -6.331 -7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.856 -7.535 -9.780 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.524 -8.323 -8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.034 -6.800 -12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.520 -6.548 -11.834 1.00 0.00 H new ATOM 240 N ASP A 16 6.435 -4.041 -9.855 1.00 0.00 N ATOM 241 CA ASP A 16 6.911 -2.824 -10.551 1.00 0.00 C ATOM 242 C ASP A 16 7.134 -1.662 -9.564 1.00 0.00 C ATOM 243 O ASP A 16 7.966 -0.784 -9.811 1.00 0.00 O ATOM 244 CB ASP A 16 5.895 -2.400 -11.653 1.00 0.00 C ATOM 245 CG ASP A 16 6.460 -1.369 -12.654 1.00 0.00 C ATOM 246 OD1 ASP A 16 7.326 -1.749 -13.478 1.00 0.00 O ATOM 247 OD2 ASP A 16 6.043 -0.192 -12.632 1.00 0.00 O ATOM 0 H ASP A 16 5.420 -4.146 -9.862 1.00 0.00 H new ATOM 0 HA ASP A 16 7.868 -3.060 -11.016 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.575 -3.287 -12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.008 -1.982 -11.176 1.00 0.00 H new ATOM 252 N PHE A 17 6.391 -1.653 -8.438 1.00 0.00 N ATOM 253 CA PHE A 17 6.437 -0.538 -7.458 1.00 0.00 C ATOM 254 C PHE A 17 7.047 -1.039 -6.136 1.00 0.00 C ATOM 255 O PHE A 17 7.037 -2.245 -5.858 1.00 0.00 O ATOM 256 CB PHE A 17 5.006 0.054 -7.189 1.00 0.00 C ATOM 257 CG PHE A 17 4.057 0.037 -8.395 1.00 0.00 C ATOM 258 CD1 PHE A 17 4.349 0.760 -9.536 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.881 -0.711 -8.382 1.00 0.00 C ATOM 260 CE1 PHE A 17 3.510 0.740 -10.633 1.00 0.00 C ATOM 261 CE2 PHE A 17 2.040 -0.734 -9.480 1.00 0.00 C ATOM 262 CZ PHE A 17 2.357 -0.005 -10.603 1.00 0.00 C ATOM 0 H PHE A 17 5.750 -2.404 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 17 7.055 0.255 -7.878 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.545 -0.506 -6.376 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.114 1.083 -6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.251 1.353 -9.571 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.623 -1.281 -7.502 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.761 1.311 -11.515 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.135 -1.324 -9.456 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.700 -0.019 -11.460 1.00 0.00 H new ATOM 272 N ILE A 18 7.601 -0.111 -5.339 1.00 0.00 N ATOM 273 CA ILE A 18 7.937 -0.379 -3.936 1.00 0.00 C ATOM 274 C ILE A 18 6.639 -0.244 -3.129 1.00 0.00 C ATOM 275 O ILE A 18 6.156 0.869 -2.882 1.00 0.00 O ATOM 276 CB ILE A 18 9.050 0.591 -3.375 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.359 0.473 -4.228 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.338 0.298 -1.877 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.498 1.380 -3.778 1.00 0.00 C ATOM 0 H ILE A 18 7.826 0.835 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 18 8.356 -1.381 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 18 8.682 1.614 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.703 -0.561 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.121 0.700 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.108 0.979 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.426 0.439 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.682 -0.730 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.361 1.229 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.179 2.421 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.770 1.140 -2.750 1.00 0.00 H new ATOM 291 N VAL A 19 6.067 -1.394 -2.763 1.00 0.00 N ATOM 292 CA VAL A 19 4.729 -1.467 -2.179 1.00 0.00 C ATOM 293 C VAL A 19 4.820 -1.201 -0.665 1.00 0.00 C ATOM 294 O VAL A 19 5.874 -1.401 -0.053 1.00 0.00 O ATOM 295 CB VAL A 19 4.065 -2.872 -2.493 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.583 -2.931 -2.084 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.220 -3.236 -3.985 1.00 0.00 C ATOM 0 H VAL A 19 6.521 -2.302 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 19 4.090 -0.704 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 19 4.598 -3.607 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.179 -3.915 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.494 -2.751 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.025 -2.169 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.756 -4.204 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.735 -2.476 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.279 -3.285 -4.239 1.00 0.00 H new ATOM 307 N VAL A 20 3.725 -0.694 -0.090 1.00 0.00 N ATOM 308 CA VAL A 20 3.584 -0.414 1.348 1.00 0.00 C ATOM 309 C VAL A 20 2.265 -1.019 1.819 1.00 0.00 C ATOM 310 O VAL A 20 1.228 -0.794 1.199 1.00 0.00 O ATOM 311 CB VAL A 20 3.596 1.138 1.647 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.198 1.463 3.110 1.00 0.00 C ATOM 313 CG2 VAL A 20 4.972 1.754 1.317 1.00 0.00 C ATOM 0 H VAL A 20 2.888 -0.460 -0.624 1.00 0.00 H new ATOM 0 HA VAL A 20 4.429 -0.852 1.880 1.00 0.00 H new ATOM 0 HB VAL A 20 2.843 1.586 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.222 2.542 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.192 1.092 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.900 0.984 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.953 2.822 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.740 1.275 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.196 1.600 0.261 1.00 0.00 H new ATOM 323 N ASP A 21 2.310 -1.807 2.899 1.00 0.00 N ATOM 324 CA ASP A 21 1.098 -2.323 3.532 1.00 0.00 C ATOM 325 C ASP A 21 0.663 -1.315 4.603 1.00 0.00 C ATOM 326 O ASP A 21 1.313 -1.215 5.644 1.00 0.00 O ATOM 327 CB ASP A 21 1.339 -3.728 4.166 1.00 0.00 C ATOM 328 CG ASP A 21 0.040 -4.548 4.296 1.00 0.00 C ATOM 329 OD1 ASP A 21 -1.015 -3.979 4.622 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.056 -5.756 3.981 1.00 0.00 O ATOM 0 H ASP A 21 3.176 -2.100 3.351 1.00 0.00 H new ATOM 0 HA ASP A 21 0.316 -2.446 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.054 -4.280 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.788 -3.606 5.152 1.00 0.00 H new ATOM 335 N VAL A 22 -0.415 -0.556 4.313 1.00 0.00 N ATOM 336 CA VAL A 22 -0.942 0.477 5.234 1.00 0.00 C ATOM 337 C VAL A 22 -2.016 -0.118 6.160 1.00 0.00 C ATOM 338 O VAL A 22 -3.226 0.021 5.920 1.00 0.00 O ATOM 339 CB VAL A 22 -1.490 1.740 4.448 1.00 0.00 C ATOM 340 CG1 VAL A 22 -0.327 2.635 3.963 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.384 1.313 3.256 1.00 0.00 C ATOM 0 H VAL A 22 -0.941 -0.639 3.443 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.115 0.823 5.854 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.103 2.320 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.729 3.495 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.249 2.980 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.320 2.063 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.745 2.200 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.803 0.700 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.233 0.738 3.626 1.00 0.00 H new ATOM 351 N ARG A 23 -1.561 -0.787 7.242 1.00 0.00 N ATOM 352 CA ARG A 23 -2.458 -1.422 8.240 1.00 0.00 C ATOM 353 C ARG A 23 -1.801 -1.437 9.653 1.00 0.00 C ATOM 354 O ARG A 23 -1.968 -0.468 10.406 1.00 0.00 O ATOM 355 CB ARG A 23 -2.899 -2.857 7.812 1.00 0.00 C ATOM 356 CG ARG A 23 -3.870 -2.956 6.610 1.00 0.00 C ATOM 357 CD ARG A 23 -4.320 -4.403 6.318 1.00 0.00 C ATOM 358 NE ARG A 23 -3.216 -5.296 5.919 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.324 -6.597 5.596 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.480 -7.244 5.715 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.244 -7.256 5.208 1.00 0.00 N ATOM 0 H ARG A 23 -0.569 -0.903 7.450 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.361 -0.813 8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.004 -3.432 7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.369 -3.339 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.748 -2.341 6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.386 -2.546 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.803 -4.811 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.069 -4.389 5.526 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.282 -4.888 5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.306 -6.753 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.540 -8.231 5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.345 -6.777 5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.311 -8.243 4.960 1.00 0.00 H new ATOM 375 N GLU A 24 -1.029 -2.513 10.000 1.00 0.00 N ATOM 376 CA GLU A 24 -0.552 -2.747 11.403 1.00 0.00 C ATOM 377 C GLU A 24 0.494 -3.904 11.451 1.00 0.00 C ATOM 378 O GLU A 24 0.541 -4.744 10.562 1.00 0.00 O ATOM 379 CB GLU A 24 -1.790 -3.071 12.340 1.00 0.00 C ATOM 380 CG GLU A 24 -1.756 -2.451 13.764 1.00 0.00 C ATOM 381 CD GLU A 24 -0.654 -3.016 14.679 1.00 0.00 C ATOM 382 OE1 GLU A 24 -0.774 -4.178 15.105 1.00 0.00 O ATOM 383 OE2 GLU A 24 0.344 -2.314 14.963 1.00 0.00 O ATOM 0 H GLU A 24 -0.726 -3.225 9.336 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.062 -1.842 11.762 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.696 -2.730 11.840 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.869 -4.153 12.440 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.619 -1.373 13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.724 -2.611 14.240 1.00 0.00 H new ATOM 390 N LEU A 25 1.340 -3.941 12.501 1.00 0.00 N ATOM 391 CA LEU A 25 2.314 -5.042 12.720 1.00 0.00 C ATOM 392 C LEU A 25 1.615 -6.420 12.814 1.00 0.00 C ATOM 393 O LEU A 25 2.164 -7.426 12.369 1.00 0.00 O ATOM 394 CB LEU A 25 3.163 -4.771 13.997 1.00 0.00 C ATOM 395 CG LEU A 25 4.166 -5.899 14.431 1.00 0.00 C ATOM 396 CD1 LEU A 25 5.204 -6.217 13.329 1.00 0.00 C ATOM 397 CD2 LEU A 25 4.861 -5.543 15.765 1.00 0.00 C ATOM 0 H LEU A 25 1.371 -3.217 13.219 1.00 0.00 H new ATOM 0 HA LEU A 25 2.977 -5.071 11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.730 -3.854 13.840 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.480 -4.586 14.826 1.00 0.00 H new ATOM 0 HG LEU A 25 3.579 -6.804 14.584 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.875 -7.003 13.677 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.688 -6.552 12.429 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.782 -5.320 13.104 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.550 -6.342 16.041 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.414 -4.611 15.650 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.110 -5.425 16.546 1.00 0.00 H new ATOM 409 N ASP A 26 0.401 -6.435 13.375 1.00 0.00 N ATOM 410 CA ASP A 26 -0.387 -7.670 13.585 1.00 0.00 C ATOM 411 C ASP A 26 -0.637 -8.427 12.257 1.00 0.00 C ATOM 412 O ASP A 26 -0.449 -9.653 12.187 1.00 0.00 O ATOM 413 CB ASP A 26 -1.719 -7.310 14.276 1.00 0.00 C ATOM 414 CG ASP A 26 -2.621 -8.518 14.584 1.00 0.00 C ATOM 415 OD1 ASP A 26 -2.339 -9.258 15.556 1.00 0.00 O ATOM 416 OD2 ASP A 26 -3.639 -8.719 13.879 1.00 0.00 O ATOM 0 H ASP A 26 -0.071 -5.591 13.700 1.00 0.00 H new ATOM 0 HA ASP A 26 0.184 -8.342 14.225 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.502 -6.787 15.207 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.268 -6.615 13.641 1.00 0.00 H new ATOM 421 N GLU A 27 -1.033 -7.679 11.196 1.00 0.00 N ATOM 422 CA GLU A 27 -1.254 -8.269 9.860 1.00 0.00 C ATOM 423 C GLU A 27 0.072 -8.654 9.211 1.00 0.00 C ATOM 424 O GLU A 27 0.164 -9.696 8.592 1.00 0.00 O ATOM 425 CB GLU A 27 -2.112 -7.356 8.941 1.00 0.00 C ATOM 426 CG GLU A 27 -1.621 -5.903 8.753 1.00 0.00 C ATOM 427 CD GLU A 27 -0.451 -5.656 7.754 1.00 0.00 C ATOM 428 OE1 GLU A 27 -0.141 -6.535 6.927 1.00 0.00 O ATOM 429 OE2 GLU A 27 0.130 -4.549 7.779 1.00 0.00 O ATOM 0 H GLU A 27 -1.203 -6.674 11.243 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.834 -9.182 10.000 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.174 -7.824 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.125 -7.324 9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.470 -5.301 8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.315 -5.524 9.728 1.00 0.00 H new ATOM 436 N TYR A 28 1.108 -7.812 9.400 1.00 0.00 N ATOM 437 CA TYR A 28 2.467 -8.064 8.873 1.00 0.00 C ATOM 438 C TYR A 28 2.972 -9.466 9.277 1.00 0.00 C ATOM 439 O TYR A 28 3.675 -10.135 8.513 1.00 0.00 O ATOM 440 CB TYR A 28 3.415 -6.953 9.387 1.00 0.00 C ATOM 441 CG TYR A 28 4.887 -7.098 8.973 1.00 0.00 C ATOM 442 CD1 TYR A 28 5.325 -6.689 7.717 1.00 0.00 C ATOM 443 CD2 TYR A 28 5.835 -7.639 9.848 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.648 -6.810 7.350 1.00 0.00 C ATOM 445 CE2 TYR A 28 7.155 -7.758 9.486 1.00 0.00 C ATOM 446 CZ TYR A 28 7.559 -7.345 8.236 1.00 0.00 C ATOM 447 OH TYR A 28 8.882 -7.458 7.869 1.00 0.00 O ATOM 0 H TYR A 28 1.028 -6.939 9.921 1.00 0.00 H new ATOM 0 HA TYR A 28 2.443 -8.041 7.784 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.048 -5.991 9.029 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.362 -6.929 10.475 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.616 -6.270 7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.523 -7.970 10.828 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.970 -6.487 6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.872 -8.173 10.178 1.00 0.00 H new ATOM 0 HH TYR A 28 9.393 -7.853 8.606 1.00 0.00 H new ATOM 457 N GLU A 29 2.552 -9.892 10.478 1.00 0.00 N ATOM 458 CA GLU A 29 2.885 -11.198 11.048 1.00 0.00 C ATOM 459 C GLU A 29 2.047 -12.338 10.410 1.00 0.00 C ATOM 460 O GLU A 29 2.603 -13.362 9.996 1.00 0.00 O ATOM 461 CB GLU A 29 2.670 -11.150 12.585 1.00 0.00 C ATOM 462 CG GLU A 29 3.511 -10.087 13.333 1.00 0.00 C ATOM 463 CD GLU A 29 5.027 -10.348 13.337 1.00 0.00 C ATOM 464 OE1 GLU A 29 5.508 -11.073 14.239 1.00 0.00 O ATOM 465 OE2 GLU A 29 5.744 -9.826 12.461 1.00 0.00 O ATOM 0 H GLU A 29 1.962 -9.326 11.087 1.00 0.00 H new ATOM 0 HA GLU A 29 3.930 -11.416 10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.615 -10.961 12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.901 -12.131 12.999 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.326 -9.113 12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.164 -10.030 14.365 1.00 0.00 H new ATOM 472 N GLU A 30 0.703 -12.166 10.343 1.00 0.00 N ATOM 473 CA GLU A 30 -0.221 -13.249 9.883 1.00 0.00 C ATOM 474 C GLU A 30 -0.255 -13.387 8.333 1.00 0.00 C ATOM 475 O GLU A 30 -0.187 -14.513 7.816 1.00 0.00 O ATOM 476 CB GLU A 30 -1.654 -13.047 10.459 1.00 0.00 C ATOM 477 CG GLU A 30 -2.296 -11.687 10.139 1.00 0.00 C ATOM 478 CD GLU A 30 -3.785 -11.587 10.501 1.00 0.00 C ATOM 479 OE1 GLU A 30 -4.584 -12.395 9.981 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.178 -10.691 11.280 1.00 0.00 O ATOM 0 H GLU A 30 0.232 -11.298 10.598 1.00 0.00 H new ATOM 0 HA GLU A 30 0.176 -14.186 10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.299 -13.836 10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.615 -13.168 11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.752 -10.908 10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.179 -11.485 9.074 1.00 0.00 H new ATOM 487 N LEU A 31 -0.361 -12.249 7.601 1.00 0.00 N ATOM 488 CA LEU A 31 -0.357 -12.229 6.110 1.00 0.00 C ATOM 489 C LEU A 31 -0.083 -10.817 5.553 1.00 0.00 C ATOM 490 O LEU A 31 -0.629 -9.823 6.044 1.00 0.00 O ATOM 491 CB LEU A 31 -1.679 -12.830 5.498 1.00 0.00 C ATOM 492 CG LEU A 31 -3.038 -11.999 5.460 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.375 -11.259 6.765 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.134 -11.032 4.258 1.00 0.00 C ATOM 0 H LEU A 31 -0.451 -11.324 8.021 1.00 0.00 H new ATOM 0 HA LEU A 31 0.465 -12.874 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.452 -13.110 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.888 -13.752 6.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.794 -12.774 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.316 -10.721 6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.469 -11.979 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.580 -10.551 6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.084 -10.499 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.314 -10.315 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.072 -11.599 3.329 1.00 0.00 H new ATOM 506 N HIS A 32 0.728 -10.754 4.483 1.00 0.00 N ATOM 507 CA HIS A 32 1.011 -9.499 3.746 1.00 0.00 C ATOM 508 C HIS A 32 1.844 -9.811 2.482 1.00 0.00 C ATOM 509 O HIS A 32 2.321 -10.937 2.318 1.00 0.00 O ATOM 510 CB HIS A 32 1.726 -8.439 4.656 1.00 0.00 C ATOM 511 CG HIS A 32 3.214 -8.598 4.808 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.808 -9.708 5.354 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.230 -7.791 4.414 1.00 0.00 C ATOM 514 CE1 HIS A 32 5.113 -9.569 5.290 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.392 -8.422 4.725 1.00 0.00 N ATOM 0 H HIS A 32 1.208 -11.569 4.101 1.00 0.00 H new ATOM 0 HA HIS A 32 0.062 -9.059 3.440 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.526 -7.447 4.251 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.273 -8.476 5.647 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.133 -6.825 3.940 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.838 -10.286 5.646 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.329 -8.061 4.547 1.00 0.00 H new ATOM 524 N LEU A 33 2.008 -8.812 1.596 1.00 0.00 N ATOM 525 CA LEU A 33 2.815 -8.953 0.354 1.00 0.00 C ATOM 526 C LEU A 33 4.334 -8.969 0.651 1.00 0.00 C ATOM 527 O LEU A 33 4.787 -8.249 1.540 1.00 0.00 O ATOM 528 CB LEU A 33 2.492 -7.793 -0.625 1.00 0.00 C ATOM 529 CG LEU A 33 1.131 -7.886 -1.364 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.814 -6.558 -2.078 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.107 -9.075 -2.363 1.00 0.00 C ATOM 0 H LEU A 33 1.592 -7.888 1.712 1.00 0.00 H new ATOM 0 HA LEU A 33 2.550 -9.908 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.517 -6.856 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.285 -7.742 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 33 0.356 -8.071 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.144 -6.641 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.764 -5.753 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.597 -6.339 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.139 -9.111 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.894 -8.943 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.271 -10.007 -1.823 1.00 0.00 H new ATOM 543 N PRO A 34 5.147 -9.754 -0.130 1.00 0.00 N ATOM 544 CA PRO A 34 6.622 -9.800 0.042 1.00 0.00 C ATOM 545 C PRO A 34 7.291 -8.448 -0.313 1.00 0.00 C ATOM 546 O PRO A 34 8.348 -8.109 0.225 1.00 0.00 O ATOM 547 CB PRO A 34 7.068 -10.949 -0.912 1.00 0.00 C ATOM 548 CG PRO A 34 5.968 -11.067 -1.930 1.00 0.00 C ATOM 549 CD PRO A 34 4.691 -10.653 -1.231 1.00 0.00 C ATOM 0 HA PRO A 34 6.919 -9.979 1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.021 -10.718 -1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.202 -11.883 -0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.165 -10.427 -2.790 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.893 -12.088 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.015 -10.136 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.153 -11.517 -0.842 1.00 0.00 H new ATOM 557 N ASN A 35 6.638 -7.679 -1.208 1.00 0.00 N ATOM 558 CA ASN A 35 7.143 -6.373 -1.699 1.00 0.00 C ATOM 559 C ASN A 35 6.582 -5.197 -0.862 1.00 0.00 C ATOM 560 O ASN A 35 6.844 -4.027 -1.188 1.00 0.00 O ATOM 561 CB ASN A 35 6.756 -6.198 -3.199 1.00 0.00 C ATOM 562 CG ASN A 35 7.280 -7.331 -4.090 1.00 0.00 C ATOM 563 OD1 ASN A 35 8.378 -7.256 -4.644 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.498 -8.397 -4.228 1.00 0.00 N ATOM 0 H ASN A 35 5.741 -7.945 -1.615 1.00 0.00 H new ATOM 0 HA ASN A 35 8.228 -6.363 -1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.671 -6.148 -3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.148 -5.248 -3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.802 -9.181 -4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.594 -8.431 -3.757 1.00 0.00 H new ATOM 571 N ALA A 36 5.818 -5.512 0.215 1.00 0.00 N ATOM 572 CA ALA A 36 5.117 -4.503 1.040 1.00 0.00 C ATOM 573 C ALA A 36 5.940 -4.115 2.282 1.00 0.00 C ATOM 574 O ALA A 36 6.353 -4.981 3.061 1.00 0.00 O ATOM 575 CB ALA A 36 3.729 -5.014 1.451 1.00 0.00 C ATOM 0 H ALA A 36 5.673 -6.470 0.533 1.00 0.00 H new ATOM 0 HA ALA A 36 4.995 -3.606 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.228 -4.259 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.136 -5.215 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.836 -5.932 2.030 1.00 0.00 H new ATOM 581 N THR A 37 6.152 -2.799 2.443 1.00 0.00 N ATOM 582 CA THR A 37 6.826 -2.195 3.599 1.00 0.00 C ATOM 583 C THR A 37 5.790 -1.952 4.711 1.00 0.00 C ATOM 584 O THR A 37 4.728 -1.380 4.440 1.00 0.00 O ATOM 585 CB THR A 37 7.482 -0.836 3.176 1.00 0.00 C ATOM 586 OG1 THR A 37 8.409 -1.063 2.102 1.00 0.00 O ATOM 587 CG2 THR A 37 8.194 -0.124 4.348 1.00 0.00 C ATOM 0 H THR A 37 5.851 -2.110 1.754 1.00 0.00 H new ATOM 0 HA THR A 37 7.605 -2.865 3.964 1.00 0.00 H new ATOM 0 HB THR A 37 6.679 -0.176 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.690 -0.203 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.629 0.811 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.473 0.086 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.983 -0.767 4.739 1.00 0.00 H new ATOM 595 N LEU A 38 6.094 -2.392 5.946 1.00 0.00 N ATOM 596 CA LEU A 38 5.192 -2.199 7.090 1.00 0.00 C ATOM 597 C LEU A 38 5.130 -0.715 7.499 1.00 0.00 C ATOM 598 O LEU A 38 6.118 -0.159 8.010 1.00 0.00 O ATOM 599 CB LEU A 38 5.629 -3.044 8.315 1.00 0.00 C ATOM 600 CG LEU A 38 4.777 -2.826 9.610 1.00 0.00 C ATOM 601 CD1 LEU A 38 3.286 -3.160 9.371 1.00 0.00 C ATOM 602 CD2 LEU A 38 5.351 -3.619 10.801 1.00 0.00 C ATOM 0 H LEU A 38 6.958 -2.883 6.174 1.00 0.00 H new ATOM 0 HA LEU A 38 4.204 -2.531 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.585 -4.099 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.671 -2.816 8.541 1.00 0.00 H new ATOM 0 HG LEU A 38 4.835 -1.768 9.865 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.725 -2.997 10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.890 -2.516 8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.191 -4.203 9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.736 -3.445 11.684 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.352 -4.683 10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.371 -3.290 10.999 1.00 0.00 H new ATOM 614 N ILE A 39 3.973 -0.090 7.234 1.00 0.00 N ATOM 615 CA ILE A 39 3.614 1.241 7.752 1.00 0.00 C ATOM 616 C ILE A 39 2.137 1.202 8.156 1.00 0.00 C ATOM 617 O ILE A 39 1.297 0.706 7.418 1.00 0.00 O ATOM 618 CB ILE A 39 3.852 2.397 6.694 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.362 2.469 6.290 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.354 3.776 7.222 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.701 3.468 5.202 1.00 0.00 C ATOM 0 H ILE A 39 3.249 -0.500 6.645 1.00 0.00 H new ATOM 0 HA ILE A 39 4.257 1.466 8.603 1.00 0.00 H new ATOM 0 HB ILE A 39 3.265 2.158 5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.946 2.713 7.177 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.680 1.479 5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.535 4.541 6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.286 3.721 7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.892 4.032 8.135 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.772 3.436 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.152 3.217 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.423 4.470 5.529 1.00 0.00 H new ATOM 633 N SER A 40 1.824 1.717 9.331 1.00 0.00 N ATOM 634 CA SER A 40 0.441 1.849 9.786 1.00 0.00 C ATOM 635 C SER A 40 -0.144 3.146 9.205 1.00 0.00 C ATOM 636 O SER A 40 0.522 4.188 9.227 1.00 0.00 O ATOM 637 CB SER A 40 0.387 1.823 11.321 1.00 0.00 C ATOM 638 OG SER A 40 0.980 0.630 11.814 1.00 0.00 O ATOM 0 H SER A 40 2.515 2.057 10.000 1.00 0.00 H new ATOM 0 HA SER A 40 -0.162 1.012 9.434 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.909 2.691 11.725 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.648 1.889 11.657 1.00 0.00 H new ATOM 0 HG SER A 40 0.941 0.626 12.793 1.00 0.00 H new ATOM 644 N VAL A 41 -1.366 3.045 8.649 1.00 0.00 N ATOM 645 CA VAL A 41 -2.105 4.172 8.014 1.00 0.00 C ATOM 646 C VAL A 41 -2.154 5.445 8.912 1.00 0.00 C ATOM 647 O VAL A 41 -2.098 6.574 8.410 1.00 0.00 O ATOM 648 CB VAL A 41 -3.569 3.701 7.634 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.325 3.160 8.878 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.384 4.811 6.907 1.00 0.00 C ATOM 0 H VAL A 41 -1.883 2.166 8.624 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.561 4.452 7.112 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.462 2.882 6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.327 2.844 8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.783 2.310 9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.397 3.946 9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.379 4.435 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.471 5.683 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.874 5.093 5.986 1.00 0.00 H new ATOM 660 N ASN A 42 -2.217 5.223 10.234 1.00 0.00 N ATOM 661 CA ASN A 42 -2.331 6.283 11.253 1.00 0.00 C ATOM 662 C ASN A 42 -1.011 7.067 11.454 1.00 0.00 C ATOM 663 O ASN A 42 -1.044 8.222 11.888 1.00 0.00 O ATOM 664 CB ASN A 42 -2.794 5.664 12.597 1.00 0.00 C ATOM 665 CG ASN A 42 -1.922 4.481 13.045 1.00 0.00 C ATOM 666 OD1 ASN A 42 -2.221 3.326 12.736 1.00 0.00 O ATOM 667 ND2 ASN A 42 -0.833 4.758 13.744 1.00 0.00 N ATOM 0 H ASN A 42 -2.190 4.285 10.634 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.070 6.999 10.895 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.778 6.433 13.369 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.827 5.331 12.500 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.213 4.005 14.043 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.613 5.725 13.984 1.00 0.00 H new ATOM 674 N ASP A 43 0.139 6.435 11.160 1.00 0.00 N ATOM 675 CA ASP A 43 1.465 7.070 11.317 1.00 0.00 C ATOM 676 C ASP A 43 1.803 7.894 10.064 1.00 0.00 C ATOM 677 O ASP A 43 2.415 7.393 9.109 1.00 0.00 O ATOM 678 CB ASP A 43 2.568 6.020 11.624 1.00 0.00 C ATOM 679 CG ASP A 43 2.397 5.343 12.997 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.579 6.028 14.030 1.00 0.00 O ATOM 681 OD2 ASP A 43 2.080 4.133 13.056 1.00 0.00 O ATOM 0 H ASP A 43 0.179 5.478 10.810 1.00 0.00 H new ATOM 0 HA ASP A 43 1.426 7.744 12.173 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.560 5.256 10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.543 6.505 11.584 1.00 0.00 H new ATOM 686 N GLN A 44 1.348 9.167 10.070 1.00 0.00 N ATOM 687 CA GLN A 44 1.645 10.145 9.010 1.00 0.00 C ATOM 688 C GLN A 44 3.159 10.410 8.922 1.00 0.00 C ATOM 689 O GLN A 44 3.704 10.483 7.825 1.00 0.00 O ATOM 690 CB GLN A 44 0.886 11.497 9.233 1.00 0.00 C ATOM 691 CG GLN A 44 -0.596 11.516 8.800 1.00 0.00 C ATOM 692 CD GLN A 44 -1.515 10.630 9.646 1.00 0.00 C ATOM 693 OE1 GLN A 44 -2.061 11.066 10.662 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.709 9.386 9.226 1.00 0.00 N ATOM 0 H GLN A 44 0.762 9.542 10.816 1.00 0.00 H new ATOM 0 HA GLN A 44 1.299 9.712 8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.939 11.751 10.292 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.413 12.282 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.961 12.542 8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.662 11.197 7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.243 9.054 8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.324 8.762 9.748 1.00 0.00 H new ATOM 703 N GLU A 45 3.821 10.538 10.086 1.00 0.00 N ATOM 704 CA GLU A 45 5.261 10.873 10.156 1.00 0.00 C ATOM 705 C GLU A 45 6.156 9.727 9.635 1.00 0.00 C ATOM 706 O GLU A 45 7.209 9.988 9.061 1.00 0.00 O ATOM 707 CB GLU A 45 5.661 11.340 11.595 1.00 0.00 C ATOM 708 CG GLU A 45 5.146 10.475 12.769 1.00 0.00 C ATOM 709 CD GLU A 45 5.856 9.124 12.933 1.00 0.00 C ATOM 710 OE1 GLU A 45 7.068 9.117 13.228 1.00 0.00 O ATOM 711 OE2 GLU A 45 5.214 8.067 12.740 1.00 0.00 O ATOM 0 H GLU A 45 3.381 10.414 10.998 1.00 0.00 H new ATOM 0 HA GLU A 45 5.434 11.714 9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.749 11.379 11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.298 12.358 11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.255 11.041 13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.080 10.295 12.629 1.00 0.00 H new ATOM 718 N LYS A 46 5.721 8.469 9.836 1.00 0.00 N ATOM 719 CA LYS A 46 6.427 7.276 9.307 1.00 0.00 C ATOM 720 C LYS A 46 6.251 7.186 7.787 1.00 0.00 C ATOM 721 O LYS A 46 7.199 6.905 7.049 1.00 0.00 O ATOM 722 CB LYS A 46 5.891 5.983 9.981 1.00 0.00 C ATOM 723 CG LYS A 46 6.462 4.618 9.466 1.00 0.00 C ATOM 724 CD LYS A 46 7.976 4.373 9.758 1.00 0.00 C ATOM 725 CE LYS A 46 8.922 4.874 8.644 1.00 0.00 C ATOM 726 NZ LYS A 46 10.352 4.620 8.954 1.00 0.00 N ATOM 0 H LYS A 46 4.878 8.247 10.365 1.00 0.00 H new ATOM 0 HA LYS A 46 7.488 7.375 9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.092 6.051 11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.808 5.963 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.887 3.809 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.303 4.560 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.239 4.867 10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.139 3.305 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.665 4.383 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.770 5.943 8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.938 5.365 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.489 4.622 9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.632 3.695 8.569 1.00 0.00 H new ATOM 740 N LEU A 47 5.028 7.446 7.335 1.00 0.00 N ATOM 741 CA LEU A 47 4.668 7.330 5.917 1.00 0.00 C ATOM 742 C LEU A 47 5.396 8.403 5.083 1.00 0.00 C ATOM 743 O LEU A 47 5.969 8.113 4.031 1.00 0.00 O ATOM 744 CB LEU A 47 3.140 7.455 5.774 1.00 0.00 C ATOM 745 CG LEU A 47 2.546 7.145 4.369 1.00 0.00 C ATOM 746 CD1 LEU A 47 2.943 5.734 3.860 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.017 7.309 4.408 1.00 0.00 C ATOM 0 H LEU A 47 4.258 7.742 7.935 1.00 0.00 H new ATOM 0 HA LEU A 47 4.980 6.357 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.674 6.785 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.854 8.470 6.049 1.00 0.00 H new ATOM 0 HG LEU A 47 2.967 7.858 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.504 5.565 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.029 5.665 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.575 4.980 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.603 7.092 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.596 6.619 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.768 8.332 4.689 1.00 0.00 H new ATOM 759 N ALA A 48 5.392 9.626 5.622 1.00 0.00 N ATOM 760 CA ALA A 48 6.042 10.798 5.021 1.00 0.00 C ATOM 761 C ALA A 48 7.578 10.654 5.049 1.00 0.00 C ATOM 762 O ALA A 48 8.260 11.091 4.116 1.00 0.00 O ATOM 763 CB ALA A 48 5.589 12.064 5.761 1.00 0.00 C ATOM 0 H ALA A 48 4.928 9.835 6.506 1.00 0.00 H new ATOM 0 HA ALA A 48 5.746 10.874 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.069 12.936 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.507 12.165 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.869 11.991 6.812 1.00 0.00 H new ATOM 769 N ASP A 49 8.095 10.030 6.132 1.00 0.00 N ATOM 770 CA ASP A 49 9.529 9.666 6.281 1.00 0.00 C ATOM 771 C ASP A 49 9.967 8.752 5.126 1.00 0.00 C ATOM 772 O ASP A 49 10.965 9.024 4.437 1.00 0.00 O ATOM 773 CB ASP A 49 9.746 8.943 7.648 1.00 0.00 C ATOM 774 CG ASP A 49 11.138 8.306 7.841 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.054 8.996 8.327 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.319 7.108 7.502 1.00 0.00 O ATOM 0 H ASP A 49 7.527 9.761 6.935 1.00 0.00 H new ATOM 0 HA ASP A 49 10.132 10.574 6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.578 9.661 8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.990 8.165 7.753 1.00 0.00 H new ATOM 781 N PHE A 50 9.176 7.680 4.920 1.00 0.00 N ATOM 782 CA PHE A 50 9.438 6.658 3.896 1.00 0.00 C ATOM 783 C PHE A 50 9.500 7.285 2.498 1.00 0.00 C ATOM 784 O PHE A 50 10.350 6.927 1.682 1.00 0.00 O ATOM 785 CB PHE A 50 8.356 5.550 3.930 1.00 0.00 C ATOM 786 CG PHE A 50 8.605 4.423 2.921 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.594 3.469 3.163 1.00 0.00 C ATOM 788 CD2 PHE A 50 7.887 4.340 1.724 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.853 2.468 2.248 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.154 3.340 0.809 1.00 0.00 C ATOM 791 CZ PHE A 50 9.134 2.404 1.073 1.00 0.00 C ATOM 0 H PHE A 50 8.333 7.501 5.465 1.00 0.00 H new ATOM 0 HA PHE A 50 10.405 6.208 4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.312 5.126 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.382 5.997 3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.165 3.514 4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.115 5.065 1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.619 1.735 2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.595 3.290 -0.114 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.338 1.620 0.358 1.00 0.00 H new ATOM 801 N LEU A 51 8.586 8.222 2.234 1.00 0.00 N ATOM 802 CA LEU A 51 8.521 8.929 0.952 1.00 0.00 C ATOM 803 C LEU A 51 9.737 9.853 0.773 1.00 0.00 C ATOM 804 O LEU A 51 10.356 9.854 -0.288 1.00 0.00 O ATOM 805 CB LEU A 51 7.188 9.695 0.842 1.00 0.00 C ATOM 806 CG LEU A 51 5.914 8.793 0.900 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.630 9.632 0.893 1.00 0.00 C ATOM 808 CD2 LEU A 51 5.899 7.745 -0.242 1.00 0.00 C ATOM 0 H LEU A 51 7.871 8.512 2.901 1.00 0.00 H new ATOM 0 HA LEU A 51 8.556 8.202 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.137 10.426 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.180 10.252 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 51 5.952 8.249 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.764 8.972 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.623 10.294 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.589 10.227 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.997 7.138 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.913 8.256 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.776 7.104 -0.159 1.00 0.00 H new ATOM 820 N SER A 52 10.116 10.555 1.854 1.00 0.00 N ATOM 821 CA SER A 52 11.247 11.511 1.857 1.00 0.00 C ATOM 822 C SER A 52 12.625 10.814 1.768 1.00 0.00 C ATOM 823 O SER A 52 13.648 11.496 1.629 1.00 0.00 O ATOM 824 CB SER A 52 11.177 12.399 3.110 1.00 0.00 C ATOM 825 OG SER A 52 10.012 13.205 3.101 1.00 0.00 O ATOM 0 H SER A 52 9.647 10.478 2.757 1.00 0.00 H new ATOM 0 HA SER A 52 11.150 12.125 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.183 11.774 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.062 13.034 3.159 1.00 0.00 H new ATOM 0 HG SER A 52 9.227 12.647 3.280 1.00 0.00 H new ATOM 831 N GLN A 53 12.641 9.469 1.880 1.00 0.00 N ATOM 832 CA GLN A 53 13.853 8.659 1.628 1.00 0.00 C ATOM 833 C GLN A 53 14.366 8.865 0.179 1.00 0.00 C ATOM 834 O GLN A 53 15.571 8.997 -0.048 1.00 0.00 O ATOM 835 CB GLN A 53 13.576 7.147 1.883 1.00 0.00 C ATOM 836 CG GLN A 53 13.113 6.783 3.316 1.00 0.00 C ATOM 837 CD GLN A 53 14.133 7.065 4.418 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.339 6.959 4.211 1.00 0.00 O ATOM 839 NE2 GLN A 53 13.658 7.410 5.605 1.00 0.00 N ATOM 0 H GLN A 53 11.824 8.918 2.145 1.00 0.00 H new ATOM 0 HA GLN A 53 14.623 8.994 2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.815 6.812 1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.485 6.587 1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.200 7.336 3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.858 5.723 3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.651 7.490 5.748 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.299 7.596 6.377 1.00 0.00 H new ATOM 848 N HIS A 54 13.424 8.911 -0.787 1.00 0.00 N ATOM 849 CA HIS A 54 13.747 8.988 -2.228 1.00 0.00 C ATOM 850 C HIS A 54 12.481 9.437 -2.990 1.00 0.00 C ATOM 851 O HIS A 54 12.012 8.706 -3.842 1.00 0.00 O ATOM 852 CB HIS A 54 14.247 7.576 -2.732 1.00 0.00 C ATOM 853 CG HIS A 54 15.106 7.590 -3.977 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.451 7.279 -3.961 1.00 0.00 N ATOM 855 CD2 HIS A 54 14.799 7.826 -5.276 1.00 0.00 C ATOM 856 CE1 HIS A 54 16.926 7.322 -5.188 1.00 0.00 C ATOM 857 NE2 HIS A 54 15.948 7.653 -6.003 1.00 0.00 N ATOM 0 H HIS A 54 12.423 8.896 -0.592 1.00 0.00 H new ATOM 0 HA HIS A 54 14.543 9.710 -2.407 1.00 0.00 H new ATOM 0 HB2 HIS A 54 14.812 7.103 -1.929 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.376 6.949 -2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 54 13.830 8.099 -5.666 1.00 0.00 H new ATOM 0 HE1 HIS A 54 17.947 7.120 -5.477 1.00 0.00 H new ATOM 0 HE2 HIS A 54 16.031 7.763 -7.014 1.00 0.00 H new ATOM 866 N LYS A 55 11.949 10.649 -2.683 1.00 0.00 N ATOM 867 CA LYS A 55 10.593 11.122 -3.139 1.00 0.00 C ATOM 868 C LYS A 55 10.249 10.767 -4.607 1.00 0.00 C ATOM 869 O LYS A 55 9.108 10.385 -4.908 1.00 0.00 O ATOM 870 CB LYS A 55 10.437 12.656 -2.939 1.00 0.00 C ATOM 871 CG LYS A 55 10.398 13.132 -1.468 1.00 0.00 C ATOM 872 CD LYS A 55 10.178 14.659 -1.346 1.00 0.00 C ATOM 873 CE LYS A 55 8.876 15.135 -2.022 1.00 0.00 C ATOM 874 NZ LYS A 55 8.719 16.610 -1.967 1.00 0.00 N ATOM 0 H LYS A 55 12.441 11.335 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 55 9.888 10.580 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.263 13.157 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.520 12.978 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.599 12.610 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.333 12.862 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.155 14.934 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.025 15.180 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.870 14.810 -3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.023 14.663 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.830 16.882 -2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.698 16.920 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.518 17.063 -2.454 1.00 0.00 H new ATOM 888 N ASP A 56 11.246 10.868 -5.503 1.00 0.00 N ATOM 889 CA ASP A 56 11.104 10.435 -6.907 1.00 0.00 C ATOM 890 C ASP A 56 11.445 8.923 -7.023 1.00 0.00 C ATOM 891 O ASP A 56 12.410 8.514 -7.678 1.00 0.00 O ATOM 892 CB ASP A 56 11.989 11.322 -7.827 1.00 0.00 C ATOM 893 CG ASP A 56 11.836 11.018 -9.334 1.00 0.00 C ATOM 894 OD1 ASP A 56 10.741 11.256 -9.900 1.00 0.00 O ATOM 895 OD2 ASP A 56 12.804 10.521 -9.957 1.00 0.00 O ATOM 0 H ASP A 56 12.166 11.248 -5.279 1.00 0.00 H new ATOM 0 HA ASP A 56 10.073 10.562 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.741 12.369 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.034 11.190 -7.545 1.00 0.00 H new ATOM 900 N LYS A 57 10.655 8.104 -6.306 1.00 0.00 N ATOM 901 CA LYS A 57 10.647 6.634 -6.429 1.00 0.00 C ATOM 902 C LYS A 57 9.178 6.177 -6.340 1.00 0.00 C ATOM 903 O LYS A 57 8.398 6.734 -5.542 1.00 0.00 O ATOM 904 CB LYS A 57 11.608 5.925 -5.390 1.00 0.00 C ATOM 905 CG LYS A 57 10.989 5.229 -4.142 1.00 0.00 C ATOM 906 CD LYS A 57 10.512 6.200 -3.044 1.00 0.00 C ATOM 907 CE LYS A 57 10.300 5.509 -1.690 1.00 0.00 C ATOM 908 NZ LYS A 57 9.554 6.370 -0.751 1.00 0.00 N ATOM 0 H LYS A 57 9.992 8.451 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 57 11.058 6.330 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.184 5.176 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.315 6.673 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.145 4.619 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.728 4.551 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.245 6.999 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.579 6.667 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.757 4.576 -1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.267 5.250 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.189 6.687 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.182 7.197 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.764 5.833 -0.340 1.00 0.00 H new ATOM 922 N LYS A 58 8.802 5.205 -7.174 1.00 0.00 N ATOM 923 CA LYS A 58 7.402 4.810 -7.368 1.00 0.00 C ATOM 924 C LYS A 58 6.927 3.901 -6.220 1.00 0.00 C ATOM 925 O LYS A 58 7.425 2.783 -6.053 1.00 0.00 O ATOM 926 CB LYS A 58 7.241 4.132 -8.748 1.00 0.00 C ATOM 927 CG LYS A 58 5.776 4.038 -9.236 1.00 0.00 C ATOM 928 CD LYS A 58 5.655 3.995 -10.775 1.00 0.00 C ATOM 929 CE LYS A 58 6.492 2.868 -11.413 1.00 0.00 C ATOM 930 NZ LYS A 58 6.155 2.659 -12.844 1.00 0.00 N ATOM 0 H LYS A 58 9.461 4.667 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 58 6.770 5.698 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.823 4.686 -9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.662 3.128 -8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.315 3.144 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.217 4.893 -8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.608 3.862 -11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.972 4.953 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.551 3.109 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.328 1.941 -10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.063 1.641 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.256 3.134 -13.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.910 3.055 -13.440 1.00 0.00 H new ATOM 944 N VAL A 59 5.983 4.424 -5.415 1.00 0.00 N ATOM 945 CA VAL A 59 5.449 3.746 -4.218 1.00 0.00 C ATOM 946 C VAL A 59 3.965 3.426 -4.408 1.00 0.00 C ATOM 947 O VAL A 59 3.223 4.237 -4.978 1.00 0.00 O ATOM 948 CB VAL A 59 5.618 4.640 -2.934 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.215 3.887 -1.646 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.053 5.176 -2.823 1.00 0.00 C ATOM 0 H VAL A 59 5.565 5.340 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 59 6.014 2.823 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 59 4.940 5.486 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.348 4.542 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.170 3.584 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.843 3.003 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.144 5.791 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.750 4.340 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.285 5.778 -3.701 1.00 0.00 H new ATOM 960 N LEU A 60 3.537 2.254 -3.910 1.00 0.00 N ATOM 961 CA LEU A 60 2.131 1.830 -3.961 1.00 0.00 C ATOM 962 C LEU A 60 1.628 1.434 -2.563 1.00 0.00 C ATOM 963 O LEU A 60 1.970 0.365 -2.057 1.00 0.00 O ATOM 964 CB LEU A 60 1.964 0.636 -4.924 1.00 0.00 C ATOM 965 CG LEU A 60 0.499 0.139 -5.121 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.337 1.163 -5.915 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.470 -1.243 -5.786 1.00 0.00 C ATOM 0 H LEU A 60 4.155 1.577 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 60 1.540 2.671 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.369 0.915 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.565 -0.195 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 60 0.045 0.041 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.353 0.788 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.362 2.110 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.112 1.317 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.564 -1.565 -5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.953 -1.188 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.000 -1.960 -5.159 1.00 0.00 H new ATOM 979 N LEU A 61 0.809 2.293 -1.952 1.00 0.00 N ATOM 980 CA LEU A 61 0.161 2.016 -0.657 1.00 0.00 C ATOM 981 C LEU A 61 -1.024 1.065 -0.892 1.00 0.00 C ATOM 982 O LEU A 61 -2.070 1.502 -1.327 1.00 0.00 O ATOM 983 CB LEU A 61 -0.327 3.349 0.007 1.00 0.00 C ATOM 984 CG LEU A 61 0.753 4.281 0.661 1.00 0.00 C ATOM 985 CD1 LEU A 61 1.907 4.621 -0.301 1.00 0.00 C ATOM 986 CD2 LEU A 61 0.093 5.579 1.183 1.00 0.00 C ATOM 0 H LEU A 61 0.572 3.206 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 61 0.877 1.548 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.853 3.928 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.057 3.093 0.775 1.00 0.00 H new ATOM 0 HG LEU A 61 1.186 3.729 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.624 5.268 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.404 3.702 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.511 5.134 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.853 6.217 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.378 6.107 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.661 5.329 1.929 1.00 0.00 H new ATOM 998 N HIS A 62 -0.839 -0.239 -0.657 1.00 0.00 N ATOM 999 CA HIS A 62 -1.923 -1.232 -0.831 1.00 0.00 C ATOM 1000 C HIS A 62 -2.678 -1.415 0.495 1.00 0.00 C ATOM 1001 O HIS A 62 -2.070 -1.380 1.576 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.371 -2.594 -1.356 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.957 -3.593 -0.289 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.848 -4.461 0.292 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.235 -3.857 0.286 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -1.226 -5.218 1.159 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.043 -4.876 1.172 1.00 0.00 N ATOM 0 H HIS A 62 0.047 -0.638 -0.346 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.617 -0.857 -1.583 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.133 -3.056 -1.984 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.510 -2.394 -1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.169 -3.354 0.082 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.678 -5.992 1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.766 -5.303 1.750 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.996 -1.644 0.405 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.868 -1.831 1.589 1.00 0.00 C ATOM 1018 C CYS A 63 -5.574 -3.195 1.597 1.00 0.00 C ATOM 1019 O CYS A 63 -5.621 -3.894 0.577 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.906 -0.707 1.675 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.105 -0.902 3.007 1.00 0.00 S ATOM 0 H CYS A 63 -4.493 -1.706 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.218 -1.797 2.463 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.386 0.242 1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.441 -0.649 0.727 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.481 -1.147 4.121 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.025 -3.584 2.817 1.00 0.00 N ATOM 1028 CA ARG A 64 -6.935 -4.727 3.063 1.00 0.00 C ATOM 1029 C ARG A 64 -8.125 -4.715 2.073 1.00 0.00 C ATOM 1030 O ARG A 64 -8.516 -5.756 1.579 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.466 -4.684 4.542 1.00 0.00 C ATOM 1032 CG ARG A 64 -7.790 -6.058 5.202 1.00 0.00 C ATOM 1033 CD ARG A 64 -9.013 -6.783 4.606 1.00 0.00 C ATOM 1034 NE ARG A 64 -10.259 -6.013 4.765 1.00 0.00 N ATOM 1035 CZ ARG A 64 -11.276 -5.979 3.886 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -11.168 -6.554 2.692 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -12.387 -5.333 4.196 1.00 0.00 N ATOM 0 H ARG A 64 -5.759 -3.100 3.674 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.373 -5.648 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.723 -4.176 5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.369 -4.073 4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.919 -6.706 5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.959 -5.904 6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.839 -6.971 3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.126 -7.754 5.088 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.359 -5.458 5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.304 -7.030 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.949 -6.519 2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.469 -4.864 5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.162 -5.304 3.533 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.701 -3.527 1.823 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.846 -3.363 0.902 1.00 0.00 C ATOM 1053 C ALA A 65 -9.559 -2.248 -0.127 1.00 0.00 C ATOM 1054 O ALA A 65 -9.722 -2.450 -1.333 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.127 -3.060 1.698 1.00 0.00 C ATOM 0 H ALA A 65 -8.390 -2.655 2.250 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.993 -4.295 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.964 -2.941 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.334 -3.883 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.992 -2.140 2.268 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.142 -1.060 0.362 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.761 0.053 -0.523 1.00 0.00 C ATOM 1063 C GLY A 66 -8.840 1.429 0.128 1.00 0.00 C ATOM 1064 O GLY A 66 -8.170 2.368 -0.327 1.00 0.00 O ATOM 0 H GLY A 66 -9.062 -0.852 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.743 -0.111 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.408 0.042 -1.400 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.661 1.562 1.185 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.879 2.851 1.876 1.00 0.00 C ATOM 1070 C ARG A 67 -8.625 3.308 2.650 1.00 0.00 C ATOM 1071 O ARG A 67 -8.296 4.491 2.620 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.117 2.786 2.821 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.326 4.044 3.710 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.489 5.357 2.901 1.00 0.00 C ATOM 1075 NE ARG A 67 -10.975 6.520 3.648 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.010 7.791 3.229 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.650 8.129 2.118 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.415 8.722 3.944 1.00 0.00 N ATOM 0 H ARG A 67 -10.190 0.786 1.584 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.079 3.594 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.011 2.634 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.017 1.914 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.210 3.897 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.477 4.146 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.959 5.269 1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.542 5.512 2.665 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.557 6.341 4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.127 7.415 1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.666 9.103 1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.934 8.472 4.808 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.435 9.694 3.634 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.941 2.384 3.352 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.709 2.730 4.116 1.00 0.00 C ATOM 1094 C ARG A 68 -5.593 3.206 3.161 1.00 0.00 C ATOM 1095 O ARG A 68 -4.766 4.049 3.519 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.209 1.522 4.949 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.234 0.954 5.958 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.596 1.946 7.074 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.524 1.346 8.057 1.00 0.00 N ATOM 1100 CZ ARG A 68 -8.689 1.743 9.331 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -8.045 2.799 9.808 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -9.532 1.084 10.117 1.00 0.00 N ATOM 0 H ARG A 68 -8.210 1.402 3.411 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.961 3.540 4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.915 0.725 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.313 1.821 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.141 0.670 5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.830 0.046 6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.688 2.271 7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.052 2.835 6.638 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.090 0.559 7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.412 3.325 9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.183 3.085 10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.048 0.283 9.753 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.663 1.378 11.085 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.606 2.640 1.941 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.679 3.002 0.853 1.00 0.00 C ATOM 1118 C ALA A 69 -4.895 4.461 0.444 1.00 0.00 C ATOM 1119 O ALA A 69 -3.954 5.263 0.419 1.00 0.00 O ATOM 1120 CB ALA A 69 -4.901 2.064 -0.344 1.00 0.00 C ATOM 0 H ALA A 69 -6.268 1.910 1.679 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.651 2.893 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.216 2.332 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.717 1.034 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.928 2.160 -0.696 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.169 4.764 0.146 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.640 6.100 -0.222 1.00 0.00 C ATOM 1128 C LEU A 70 -6.283 7.123 0.869 1.00 0.00 C ATOM 1129 O LEU A 70 -5.518 8.044 0.618 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.182 6.046 -0.458 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.905 7.402 -0.741 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.369 8.083 -2.016 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.439 7.210 -0.817 1.00 0.00 C ATOM 0 H LEU A 70 -6.914 4.067 0.156 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.148 6.420 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.373 5.379 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.643 5.593 0.420 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.687 8.065 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.898 9.022 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.303 8.282 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.526 7.427 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.916 8.170 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.679 6.513 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.803 6.812 0.130 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.794 6.870 2.085 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.722 7.781 3.257 1.00 0.00 C ATOM 1147 C ASP A 71 -5.282 8.222 3.575 1.00 0.00 C ATOM 1148 O ASP A 71 -5.000 9.426 3.755 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.338 7.063 4.490 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.372 7.932 5.765 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.229 8.838 5.854 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.567 7.696 6.694 1.00 0.00 O ATOM 0 H ASP A 71 -7.285 6.001 2.294 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.284 8.683 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.354 6.751 4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.767 6.157 4.694 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.392 7.228 3.650 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.962 7.434 3.900 1.00 0.00 C ATOM 1159 C ALA A 72 -2.327 8.322 2.811 1.00 0.00 C ATOM 1160 O ALA A 72 -1.648 9.328 3.107 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.275 6.067 3.975 1.00 0.00 C ATOM 0 H ALA A 72 -4.647 6.247 3.538 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.830 7.957 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.210 6.205 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.712 5.484 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.413 5.538 3.032 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.608 7.962 1.548 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.084 8.674 0.381 1.00 0.00 C ATOM 1169 C ALA A 73 -2.659 10.101 0.276 1.00 0.00 C ATOM 1170 O ALA A 73 -1.970 10.983 -0.229 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.353 7.871 -0.901 1.00 0.00 C ATOM 0 H ALA A 73 -3.205 7.169 1.312 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.006 8.773 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.958 8.413 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.866 6.899 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.427 7.731 -1.024 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.909 10.328 0.772 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.546 11.670 0.750 1.00 0.00 C ATOM 1179 C LYS A 74 -3.712 12.629 1.579 1.00 0.00 C ATOM 1180 O LYS A 74 -3.277 13.661 1.072 1.00 0.00 O ATOM 1181 CB LYS A 74 -6.023 11.674 1.261 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.980 10.729 0.500 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.475 11.107 0.628 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.859 12.324 -0.237 1.00 0.00 C ATOM 1185 NZ LYS A 74 -10.295 12.685 -0.092 1.00 0.00 N ATOM 0 H LYS A 74 -4.490 9.600 1.189 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.585 11.985 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.027 11.399 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.412 12.690 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.706 10.725 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.840 9.713 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.087 10.253 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.703 11.323 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.241 13.177 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.645 12.106 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.508 13.508 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.886 11.881 -0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.496 12.919 0.901 1.00 0.00 H new ATOM 1199 N SER A 75 -3.440 12.215 2.833 1.00 0.00 N ATOM 1200 CA SER A 75 -2.629 12.981 3.796 1.00 0.00 C ATOM 1201 C SER A 75 -1.276 13.403 3.182 1.00 0.00 C ATOM 1202 O SER A 75 -0.865 14.557 3.299 1.00 0.00 O ATOM 1203 CB SER A 75 -2.399 12.133 5.069 1.00 0.00 C ATOM 1204 OG SER A 75 -3.623 11.594 5.555 1.00 0.00 O ATOM 0 H SER A 75 -3.782 11.330 3.208 1.00 0.00 H new ATOM 0 HA SER A 75 -3.171 13.890 4.057 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.704 11.323 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.937 12.749 5.841 1.00 0.00 H new ATOM 0 HG SER A 75 -3.449 11.061 6.359 1.00 0.00 H new ATOM 1210 N MET A 76 -0.633 12.456 2.476 1.00 0.00 N ATOM 1211 CA MET A 76 0.683 12.679 1.835 1.00 0.00 C ATOM 1212 C MET A 76 0.595 13.644 0.630 1.00 0.00 C ATOM 1213 O MET A 76 1.470 14.493 0.448 1.00 0.00 O ATOM 1214 CB MET A 76 1.282 11.333 1.397 1.00 0.00 C ATOM 1215 CG MET A 76 1.492 10.347 2.545 1.00 0.00 C ATOM 1216 SD MET A 76 2.550 11.014 3.858 1.00 0.00 S ATOM 1217 CE MET A 76 1.440 11.057 5.274 1.00 0.00 C ATOM 0 H MET A 76 -1.006 11.518 2.332 1.00 0.00 H new ATOM 0 HA MET A 76 1.333 13.149 2.573 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.625 10.878 0.656 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.239 11.514 0.907 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.524 10.076 2.967 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.938 9.432 2.155 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.261 12.092 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.493 10.586 5.009 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.892 10.519 6.107 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.462 13.495 -0.187 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.727 14.382 -1.347 1.00 0.00 C ATOM 1229 C HIS A 77 -0.991 15.841 -0.900 1.00 0.00 C ATOM 1230 O HIS A 77 -0.749 16.782 -1.666 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.900 13.830 -2.212 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.510 12.781 -3.234 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.409 13.055 -4.582 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.244 11.452 -3.118 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -1.102 11.957 -5.235 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.995 10.972 -4.372 1.00 0.00 N ATOM 0 H HIS A 77 -1.159 12.760 -0.067 1.00 0.00 H new ATOM 0 HA HIS A 77 0.169 14.394 -1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.652 13.405 -1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.370 14.664 -2.733 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.232 10.881 -2.202 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.961 11.877 -6.303 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.763 10.005 -4.601 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.477 16.010 0.344 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.695 17.335 0.959 1.00 0.00 C ATOM 1247 C GLU A 78 -0.359 17.939 1.448 1.00 0.00 C ATOM 1248 O GLU A 78 -0.174 19.159 1.416 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.703 17.203 2.125 1.00 0.00 C ATOM 1250 CG GLU A 78 -4.037 16.547 1.720 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.871 17.393 0.743 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.452 18.415 1.170 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.954 17.038 -0.458 1.00 0.00 O ATOM 0 H GLU A 78 -1.730 15.231 0.952 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.107 18.012 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.247 16.616 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.905 18.193 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.832 15.578 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.626 16.358 2.617 1.00 0.00 H new ATOM 1260 N LEU A 79 0.570 17.060 1.892 1.00 0.00 N ATOM 1261 CA LEU A 79 1.932 17.454 2.338 1.00 0.00 C ATOM 1262 C LEU A 79 2.839 17.790 1.134 1.00 0.00 C ATOM 1263 O LEU A 79 3.905 18.393 1.302 1.00 0.00 O ATOM 1264 CB LEU A 79 2.579 16.327 3.186 1.00 0.00 C ATOM 1265 CG LEU A 79 1.780 15.874 4.440 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.468 14.692 5.160 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.526 17.048 5.412 1.00 0.00 C ATOM 0 H LEU A 79 0.398 16.056 1.952 1.00 0.00 H new ATOM 0 HA LEU A 79 1.830 18.348 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.732 15.459 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.564 16.663 3.509 1.00 0.00 H new ATOM 0 HG LEU A 79 0.809 15.524 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.879 14.404 6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.544 13.845 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.466 14.992 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.965 16.691 6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.480 17.459 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.954 17.824 4.904 1.00 0.00 H new ATOM 1279 N GLY A 80 2.422 17.357 -0.069 1.00 0.00 N ATOM 1280 CA GLY A 80 3.117 17.680 -1.322 1.00 0.00 C ATOM 1281 C GLY A 80 3.722 16.471 -2.009 1.00 0.00 C ATOM 1282 O GLY A 80 4.292 16.608 -3.098 1.00 0.00 O ATOM 0 H GLY A 80 1.595 16.774 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.415 18.161 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.906 18.402 -1.114 1.00 0.00 H new ATOM 1286 N TYR A 81 3.629 15.285 -1.370 1.00 0.00 N ATOM 1287 CA TYR A 81 4.077 14.014 -1.986 1.00 0.00 C ATOM 1288 C TYR A 81 3.035 13.546 -3.023 1.00 0.00 C ATOM 1289 O TYR A 81 1.928 14.089 -3.089 1.00 0.00 O ATOM 1290 CB TYR A 81 4.261 12.904 -0.918 1.00 0.00 C ATOM 1291 CG TYR A 81 5.120 13.286 0.297 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.516 13.270 0.244 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.523 13.639 1.506 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.274 13.592 1.356 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.277 13.964 2.611 1.00 0.00 C ATOM 1296 CZ TYR A 81 6.648 13.940 2.534 1.00 0.00 C ATOM 1297 OH TYR A 81 7.400 14.262 3.645 1.00 0.00 O ATOM 0 H TYR A 81 3.249 15.180 -0.429 1.00 0.00 H new ATOM 0 HA TYR A 81 5.037 14.194 -2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.276 12.600 -0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.709 12.034 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.011 13.002 -0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.446 13.658 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.352 13.571 1.301 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.792 14.237 3.536 1.00 0.00 H new ATOM 0 HH TYR A 81 8.352 14.240 3.413 1.00 0.00 H new ATOM 1307 N THR A 82 3.377 12.511 -3.807 1.00 0.00 N ATOM 1308 CA THR A 82 2.442 11.874 -4.757 1.00 0.00 C ATOM 1309 C THR A 82 2.641 10.331 -4.772 1.00 0.00 C ATOM 1310 O THR A 82 3.118 9.769 -5.766 1.00 0.00 O ATOM 1311 CB THR A 82 2.572 12.468 -6.220 1.00 0.00 C ATOM 1312 OG1 THR A 82 3.955 12.548 -6.598 1.00 0.00 O ATOM 1313 CG2 THR A 82 1.907 13.855 -6.370 1.00 0.00 C ATOM 0 H THR A 82 4.306 12.091 -3.803 1.00 0.00 H new ATOM 0 HA THR A 82 1.433 12.096 -4.410 1.00 0.00 H new ATOM 0 HB THR A 82 2.041 11.786 -6.884 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.026 12.915 -7.504 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.030 14.209 -7.394 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.845 13.776 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.377 14.560 -5.684 1.00 0.00 H new ATOM 1321 N PRO A 83 2.316 9.612 -3.645 1.00 0.00 N ATOM 1322 CA PRO A 83 2.285 8.134 -3.644 1.00 0.00 C ATOM 1323 C PRO A 83 0.998 7.594 -4.308 1.00 0.00 C ATOM 1324 O PRO A 83 -0.080 8.200 -4.189 1.00 0.00 O ATOM 1325 CB PRO A 83 2.330 7.781 -2.140 1.00 0.00 C ATOM 1326 CG PRO A 83 1.648 8.931 -1.466 1.00 0.00 C ATOM 1327 CD PRO A 83 2.010 10.155 -2.285 1.00 0.00 C ATOM 0 HA PRO A 83 3.104 7.692 -4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.817 6.841 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.356 7.667 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.568 8.784 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.984 9.036 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.187 10.869 -2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.869 10.677 -1.862 1.00 0.00 H new ATOM 1335 N TYR A 84 1.130 6.467 -5.014 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.012 5.729 -5.579 1.00 0.00 C ATOM 1337 C TYR A 84 -0.652 4.885 -4.473 1.00 0.00 C ATOM 1338 O TYR A 84 -0.076 4.734 -3.385 1.00 0.00 O ATOM 1339 CB TYR A 84 0.450 4.828 -6.755 1.00 0.00 C ATOM 1340 CG TYR A 84 1.164 5.591 -7.882 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.537 5.859 -7.815 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.470 6.050 -9.006 1.00 0.00 C ATOM 1343 CE1 TYR A 84 3.182 6.554 -8.820 1.00 0.00 C ATOM 1344 CE2 TYR A 84 1.117 6.744 -10.012 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.472 6.992 -9.914 1.00 0.00 C ATOM 1346 OH TYR A 84 3.121 7.673 -10.921 1.00 0.00 O ATOM 0 H TYR A 84 2.033 6.037 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.746 6.435 -5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.120 4.059 -6.369 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.418 4.316 -7.170 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.103 5.516 -6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.590 5.859 -9.090 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.241 6.753 -8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.564 7.091 -10.872 1.00 0.00 H new ATOM 0 HH TYR A 84 2.478 7.912 -11.621 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.834 4.333 -4.751 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.566 3.522 -3.776 1.00 0.00 C ATOM 1358 C TYR A 85 -3.389 2.446 -4.490 1.00 0.00 C ATOM 1359 O TYR A 85 -3.940 2.688 -5.572 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.443 4.417 -2.863 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.489 5.284 -3.582 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.130 6.489 -4.185 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.831 4.896 -3.655 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.062 7.271 -4.816 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.767 5.684 -4.289 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.376 6.868 -4.873 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.303 7.656 -5.518 1.00 0.00 O ATOM 0 H TYR A 85 -2.307 4.434 -5.649 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.850 3.013 -3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.959 3.778 -2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.787 5.073 -2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.100 6.812 -4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.139 3.963 -3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.764 8.205 -5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.801 5.375 -4.328 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.843 8.374 -6.000 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.434 1.253 -3.882 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.073 0.070 -4.451 1.00 0.00 C ATOM 1379 C LEU A 86 -5.391 -0.194 -3.720 1.00 0.00 C ATOM 1380 O LEU A 86 -5.406 -0.521 -2.504 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.110 -1.154 -4.363 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.456 -2.432 -5.211 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.634 -3.254 -4.651 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -3.699 -2.067 -6.680 1.00 0.00 C ATOM 0 H LEU A 86 -3.019 1.085 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.294 0.238 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.116 -0.818 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.048 -1.455 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.580 -3.077 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.811 -4.119 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.395 -3.592 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.530 -2.634 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.936 -2.969 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.531 -1.367 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.802 -1.606 -7.093 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.479 -0.061 -4.487 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.829 -0.401 -4.065 1.00 0.00 C ATOM 1398 C GLU A 87 -8.169 -1.810 -4.589 1.00 0.00 C ATOM 1399 O GLU A 87 -8.434 -2.008 -5.786 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.825 0.667 -4.579 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.515 2.099 -4.090 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.557 3.125 -4.553 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -9.406 3.678 -5.667 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -10.540 3.370 -3.815 1.00 0.00 O ATOM 0 H GLU A 87 -6.436 0.296 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.901 -0.412 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.822 0.657 -5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.831 0.395 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.467 2.103 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.532 2.397 -4.454 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.088 -2.776 -3.676 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.318 -4.189 -3.957 1.00 0.00 C ATOM 1413 C GLY A 88 -8.063 -5.006 -2.701 1.00 0.00 C ATOM 1414 O GLY A 88 -7.229 -4.606 -1.868 1.00 0.00 O ATOM 0 H GLY A 88 -7.856 -2.593 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.342 -4.340 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.660 -4.522 -4.760 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.770 -6.142 -2.545 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.700 -6.948 -1.312 1.00 0.00 C ATOM 1420 C ASN A 89 -7.341 -7.650 -1.186 1.00 0.00 C ATOM 1421 O ASN A 89 -6.888 -8.287 -2.137 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.838 -7.992 -1.235 1.00 0.00 C ATOM 1423 CG ASN A 89 -9.904 -8.745 0.108 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -9.442 -8.270 1.147 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -10.516 -9.903 0.106 1.00 0.00 N ATOM 0 H ASN A 89 -9.395 -6.521 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.821 -6.255 -0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.790 -7.490 -1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.709 -8.715 -2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.617 -10.428 0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.892 -10.280 -0.764 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.727 -7.535 0.010 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.394 -8.091 0.309 1.00 0.00 C ATOM 1434 C VAL A 90 -5.350 -9.615 0.066 1.00 0.00 C ATOM 1435 O VAL A 90 -4.385 -10.130 -0.480 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.930 -7.729 1.778 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.889 -8.301 2.840 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.464 -8.162 2.056 1.00 0.00 C ATOM 0 H VAL A 90 -7.148 -7.049 0.802 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.688 -7.628 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.965 -6.642 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.534 -8.030 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.888 -7.892 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.924 -9.387 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.192 -7.892 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.373 -9.241 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.797 -7.657 1.357 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.451 -10.302 0.409 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.566 -11.770 0.270 1.00 0.00 C ATOM 1450 C TYR A 91 -6.751 -12.160 -1.211 1.00 0.00 C ATOM 1451 O TYR A 91 -6.364 -13.257 -1.635 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.753 -12.287 1.128 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.741 -11.745 2.569 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -6.730 -12.103 3.465 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.704 -10.834 3.012 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -6.691 -11.581 4.742 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.656 -10.305 4.283 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.650 -10.685 5.142 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.588 -10.140 6.400 1.00 0.00 O ATOM 0 H TYR A 91 -7.288 -9.860 0.790 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.647 -12.234 0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.690 -12.004 0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.725 -13.376 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.966 -12.800 3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.501 -10.539 2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.908 -11.877 5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.404 -9.595 4.604 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.339 -9.524 6.527 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.333 -11.232 -1.989 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.603 -11.429 -3.425 1.00 0.00 C ATOM 1471 C ASP A 92 -6.335 -11.294 -4.281 1.00 0.00 C ATOM 1472 O ASP A 92 -6.329 -11.739 -5.425 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.722 -10.466 -3.932 1.00 0.00 C ATOM 1474 CG ASP A 92 -10.139 -11.015 -3.719 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.552 -11.186 -2.554 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.848 -11.291 -4.713 1.00 0.00 O ATOM 0 H ASP A 92 -7.631 -10.321 -1.640 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.959 -12.453 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.629 -9.510 -3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.571 -10.272 -4.994 1.00 0.00 H new ATOM 1481 N PHE A 93 -5.277 -10.677 -3.737 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.962 -10.600 -4.427 1.00 0.00 C ATOM 1483 C PHE A 93 -3.444 -12.009 -4.784 1.00 0.00 C ATOM 1484 O PHE A 93 -3.027 -12.277 -5.922 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.897 -9.897 -3.547 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.234 -8.477 -3.096 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.262 -7.740 -3.676 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.508 -7.880 -2.085 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.548 -6.460 -3.260 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.792 -6.603 -1.674 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.812 -5.888 -2.254 1.00 0.00 C ATOM 0 H PHE A 93 -5.296 -10.222 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.119 -10.019 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.726 -10.508 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.958 -9.868 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.847 -8.182 -4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.706 -8.426 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.351 -5.907 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.207 -6.154 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.032 -4.885 -1.921 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.516 -12.890 -3.776 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.982 -14.255 -3.834 1.00 0.00 C ATOM 1503 C GLU A 94 -3.656 -15.056 -4.970 1.00 0.00 C ATOM 1504 O GLU A 94 -2.973 -15.674 -5.795 1.00 0.00 O ATOM 1505 CB GLU A 94 -3.177 -14.919 -2.436 1.00 0.00 C ATOM 1506 CG GLU A 94 -2.259 -16.123 -2.123 1.00 0.00 C ATOM 1507 CD GLU A 94 -2.611 -17.412 -2.890 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -3.680 -17.998 -2.618 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -1.825 -17.848 -3.762 1.00 0.00 O ATOM 0 H GLU A 94 -3.955 -12.668 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.917 -14.239 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.020 -14.159 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.213 -15.246 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.230 -15.848 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.303 -16.328 -1.053 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.998 -14.996 -5.015 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.802 -15.693 -6.041 1.00 0.00 C ATOM 1518 C LYS A 95 -5.694 -15.005 -7.425 1.00 0.00 C ATOM 1519 O LYS A 95 -5.902 -15.656 -8.450 1.00 0.00 O ATOM 1520 CB LYS A 95 -7.286 -15.813 -5.594 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.944 -14.473 -5.232 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.451 -14.581 -4.901 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.310 -14.918 -6.132 1.00 0.00 C ATOM 1524 NZ LYS A 95 -11.764 -14.930 -5.815 1.00 0.00 N ATOM 0 H LYS A 95 -5.556 -14.466 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.393 -16.698 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.858 -16.282 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.342 -16.477 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.424 -14.045 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.814 -13.780 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.597 -15.348 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.792 -13.639 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.117 -14.188 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.017 -15.893 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.304 -15.161 -6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.954 -15.644 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.051 -13.993 -5.467 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.366 -13.695 -7.451 1.00 0.00 N ATOM 1539 CA TYR A 96 -5.066 -12.959 -8.712 1.00 0.00 C ATOM 1540 C TYR A 96 -3.633 -13.266 -9.199 1.00 0.00 C ATOM 1541 O TYR A 96 -3.230 -12.809 -10.273 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.281 -11.420 -8.537 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.718 -10.925 -8.816 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.799 -11.357 -8.046 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.988 -10.020 -9.853 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -9.086 -10.911 -8.293 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.273 -9.571 -10.102 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.316 -10.017 -9.321 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.596 -9.559 -9.562 1.00 0.00 O ATOM 0 H TYR A 96 -5.300 -13.118 -6.612 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.765 -13.305 -9.474 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.009 -11.144 -7.518 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.596 -10.895 -9.203 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.628 -12.055 -7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.176 -9.666 -10.470 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.907 -11.260 -7.685 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.457 -8.874 -10.906 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.584 -8.936 -10.319 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.855 -13.999 -8.388 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.560 -14.547 -8.818 1.00 0.00 C ATOM 1561 C GLY A 97 -0.382 -13.891 -8.126 1.00 0.00 C ATOM 1562 O GLY A 97 0.715 -14.463 -8.075 1.00 0.00 O ATOM 0 H GLY A 97 -3.103 -14.227 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.541 -15.619 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.458 -14.421 -9.896 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.614 -12.687 -7.592 1.00 0.00 N ATOM 1567 CA PHE A 98 0.395 -11.922 -6.857 1.00 0.00 C ATOM 1568 C PHE A 98 0.629 -12.609 -5.502 1.00 0.00 C ATOM 1569 O PHE A 98 -0.209 -12.494 -4.600 1.00 0.00 O ATOM 1570 CB PHE A 98 -0.082 -10.457 -6.678 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.477 -9.780 -7.993 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.492 -9.246 -8.843 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.815 -9.694 -8.383 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.135 -8.645 -10.032 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.170 -9.095 -9.574 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.195 -8.571 -10.400 1.00 0.00 C ATOM 0 H PHE A 98 -1.515 -12.214 -7.659 1.00 0.00 H new ATOM 0 HA PHE A 98 1.335 -11.894 -7.408 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.935 -10.441 -5.999 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.712 -9.879 -6.205 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.534 -9.304 -8.567 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.583 -10.102 -7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.896 -8.231 -10.677 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.210 -9.036 -9.860 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.472 -8.103 -11.333 1.00 0.00 H new ATOM 1586 N ARG A 99 1.749 -13.366 -5.399 1.00 0.00 N ATOM 1587 CA ARG A 99 2.016 -14.244 -4.243 1.00 0.00 C ATOM 1588 C ARG A 99 2.097 -13.452 -2.936 1.00 0.00 C ATOM 1589 O ARG A 99 2.413 -12.252 -2.931 1.00 0.00 O ATOM 1590 CB ARG A 99 3.311 -15.082 -4.421 1.00 0.00 C ATOM 1591 CG ARG A 99 4.640 -14.293 -4.265 1.00 0.00 C ATOM 1592 CD ARG A 99 5.818 -15.207 -3.899 1.00 0.00 C ATOM 1593 NE ARG A 99 7.073 -14.457 -3.688 1.00 0.00 N ATOM 1594 CZ ARG A 99 7.841 -14.522 -2.581 1.00 0.00 C ATOM 1595 NH1 ARG A 99 7.452 -15.226 -1.518 1.00 0.00 N ATOM 1596 NH2 ARG A 99 8.975 -13.850 -2.536 1.00 0.00 N ATOM 0 H ARG A 99 2.482 -13.383 -6.108 1.00 0.00 H new ATOM 0 HA ARG A 99 1.170 -14.930 -4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.302 -15.893 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.294 -15.541 -5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.862 -13.772 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.520 -13.532 -3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.574 -15.763 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.965 -15.939 -4.693 1.00 0.00 H new ATOM 0 HE ARG A 99 7.384 -13.841 -4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.563 -15.725 -1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.044 -15.266 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.266 -13.286 -3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.561 -13.894 -1.702 1.00 0.00 H new ATOM 1610 N MET A 100 1.835 -14.149 -1.828 1.00 0.00 N ATOM 1611 CA MET A 100 1.704 -13.536 -0.504 1.00 0.00 C ATOM 1612 C MET A 100 2.388 -14.399 0.554 1.00 0.00 C ATOM 1613 O MET A 100 2.440 -15.632 0.441 1.00 0.00 O ATOM 1614 CB MET A 100 0.211 -13.325 -0.148 1.00 0.00 C ATOM 1615 CG MET A 100 -0.552 -12.396 -1.106 1.00 0.00 C ATOM 1616 SD MET A 100 -2.235 -12.088 -0.573 1.00 0.00 S ATOM 1617 CE MET A 100 -1.927 -11.363 1.027 1.00 0.00 C ATOM 0 H MET A 100 1.707 -15.161 -1.824 1.00 0.00 H new ATOM 0 HA MET A 100 2.194 -12.562 -0.526 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.285 -14.295 -0.132 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.146 -12.917 0.861 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.021 -11.448 -1.186 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.566 -12.839 -2.102 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.842 -10.903 1.400 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.602 -12.138 1.721 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.149 -10.605 0.939 1.00 0.00 H new ATOM 1627 N VAL A 101 2.886 -13.725 1.591 1.00 0.00 N ATOM 1628 CA VAL A 101 3.661 -14.325 2.674 1.00 0.00 C ATOM 1629 C VAL A 101 2.775 -14.445 3.928 1.00 0.00 C ATOM 1630 O VAL A 101 2.490 -13.444 4.611 1.00 0.00 O ATOM 1631 CB VAL A 101 4.949 -13.462 2.959 1.00 0.00 C ATOM 1632 CG1 VAL A 101 5.797 -14.048 4.104 1.00 0.00 C ATOM 1633 CG2 VAL A 101 5.802 -13.308 1.675 1.00 0.00 C ATOM 0 H VAL A 101 2.757 -12.719 1.703 1.00 0.00 H new ATOM 0 HA VAL A 101 3.989 -15.324 2.386 1.00 0.00 H new ATOM 0 HB VAL A 101 4.611 -12.476 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.674 -13.421 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.202 -14.082 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.116 -15.057 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.686 -12.709 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.110 -14.292 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.212 -12.814 0.903 1.00 0.00 H new ATOM 1643 N TYR A 102 2.288 -15.670 4.157 1.00 0.00 N ATOM 1644 CA TYR A 102 1.498 -16.047 5.341 1.00 0.00 C ATOM 1645 C TYR A 102 2.439 -16.612 6.419 1.00 0.00 C ATOM 1646 O TYR A 102 3.452 -17.231 6.075 1.00 0.00 O ATOM 1647 CB TYR A 102 0.426 -17.105 4.951 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.608 -16.616 3.915 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.330 -16.641 2.544 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.854 -16.126 4.312 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.253 -16.193 1.617 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.777 -15.679 3.387 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.475 -15.713 2.044 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.402 -15.261 1.126 1.00 0.00 O ATOM 0 H TYR A 102 2.434 -16.446 3.511 1.00 0.00 H new ATOM 0 HA TYR A 102 0.988 -15.168 5.734 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.931 -17.986 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.101 -17.419 5.852 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.623 -17.017 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.101 -16.096 5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.019 -16.218 0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.734 -15.303 3.717 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.207 -14.959 1.596 1.00 0.00 H new ATOM 1664 N ASP A 103 2.092 -16.394 7.706 1.00 0.00 N ATOM 1665 CA ASP A 103 2.916 -16.808 8.869 1.00 0.00 C ATOM 1666 C ASP A 103 4.323 -16.174 8.798 1.00 0.00 C ATOM 1667 O ASP A 103 5.322 -16.771 9.232 1.00 0.00 O ATOM 1668 CB ASP A 103 2.991 -18.364 8.991 1.00 0.00 C ATOM 1669 CG ASP A 103 1.627 -19.026 9.263 1.00 0.00 C ATOM 1670 OD1 ASP A 103 0.848 -19.227 8.302 1.00 0.00 O ATOM 1671 OD2 ASP A 103 1.321 -19.335 10.438 1.00 0.00 O ATOM 0 H ASP A 103 1.227 -15.923 7.972 1.00 0.00 H new ATOM 0 HA ASP A 103 2.431 -16.439 9.773 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.407 -18.773 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.679 -18.625 9.795 1.00 0.00 H new ATOM 1676 N ASP A 104 4.360 -14.917 8.296 1.00 0.00 N ATOM 1677 CA ASP A 104 5.599 -14.123 8.108 1.00 0.00 C ATOM 1678 C ASP A 104 6.356 -13.938 9.432 1.00 0.00 C ATOM 1679 O ASP A 104 7.586 -13.845 9.440 1.00 0.00 O ATOM 1680 CB ASP A 104 5.250 -12.744 7.503 1.00 0.00 C ATOM 1681 CG ASP A 104 6.481 -11.827 7.301 1.00 0.00 C ATOM 1682 OD1 ASP A 104 7.242 -12.043 6.335 1.00 0.00 O ATOM 1683 OD2 ASP A 104 6.683 -10.878 8.086 1.00 0.00 O ATOM 0 H ASP A 104 3.519 -14.418 8.006 1.00 0.00 H new ATOM 0 HA ASP A 104 6.249 -14.669 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.756 -12.892 6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.535 -12.241 8.155 1.00 0.00 H new ATOM 1688 N THR A 105 5.570 -13.896 10.520 1.00 0.00 N ATOM 1689 CA THR A 105 6.029 -13.737 11.907 1.00 0.00 C ATOM 1690 C THR A 105 7.326 -14.527 12.230 1.00 0.00 C ATOM 1691 O THR A 105 8.284 -13.957 12.756 1.00 0.00 O ATOM 1692 CB THR A 105 4.879 -14.158 12.895 1.00 0.00 C ATOM 1693 OG1 THR A 105 5.343 -14.118 14.247 1.00 0.00 O ATOM 1694 CG2 THR A 105 4.289 -15.552 12.586 1.00 0.00 C ATOM 0 H THR A 105 4.555 -13.975 10.453 1.00 0.00 H new ATOM 0 HA THR A 105 6.277 -12.683 12.035 1.00 0.00 H new ATOM 0 HB THR A 105 4.076 -13.434 12.755 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.503 -13.188 14.511 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.501 -15.781 13.304 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.874 -15.556 11.578 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.075 -16.304 12.658 1.00 0.00 H new ATOM 1702 N CYS A 106 7.336 -15.821 11.871 1.00 0.00 N ATOM 1703 CA CYS A 106 8.431 -16.756 12.178 1.00 0.00 C ATOM 1704 C CYS A 106 8.294 -18.005 11.287 1.00 0.00 C ATOM 1705 O CYS A 106 9.200 -18.341 10.519 1.00 0.00 O ATOM 1706 CB CYS A 106 8.405 -17.173 13.676 1.00 0.00 C ATOM 1707 SG CYS A 106 8.809 -15.862 14.859 1.00 0.00 S ATOM 0 H CYS A 106 6.572 -16.254 11.352 1.00 0.00 H new ATOM 0 HA CYS A 106 9.381 -16.259 11.981 1.00 0.00 H new ATOM 0 HB2 CYS A 106 7.412 -17.557 13.911 1.00 0.00 H new ATOM 0 HB3 CYS A 106 9.106 -17.995 13.818 1.00 0.00 H new ATOM 0 HG CYS A 106 8.736 -14.707 14.268 1.00 0.00 H new ATOM 1713 N ASP A 107 7.118 -18.647 11.400 1.00 0.00 N ATOM 1714 CA ASP A 107 6.794 -19.940 10.755 1.00 0.00 C ATOM 1715 C ASP A 107 5.361 -20.342 11.127 1.00 0.00 C ATOM 1716 O ASP A 107 4.620 -20.893 10.304 1.00 0.00 O ATOM 1717 CB ASP A 107 7.795 -21.058 11.187 1.00 0.00 C ATOM 1718 CG ASP A 107 7.409 -22.461 10.688 1.00 0.00 C ATOM 1719 OD1 ASP A 107 7.467 -22.704 9.462 1.00 0.00 O ATOM 1720 OD2 ASP A 107 7.017 -23.319 11.513 1.00 0.00 O ATOM 0 H ASP A 107 6.346 -18.276 11.954 1.00 0.00 H new ATOM 0 HA ASP A 107 6.878 -19.821 9.675 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.788 -20.809 10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.860 -21.074 12.275 1.00 0.00 H new ATOM 1725 N LYS A 108 4.989 -20.045 12.386 1.00 0.00 N ATOM 1726 CA LYS A 108 3.672 -20.387 12.944 1.00 0.00 C ATOM 1727 C LYS A 108 3.354 -19.447 14.106 1.00 0.00 C ATOM 1728 O LYS A 108 2.280 -18.831 14.144 1.00 0.00 O ATOM 1729 CB LYS A 108 3.649 -21.872 13.424 1.00 0.00 C ATOM 1730 CG LYS A 108 2.325 -22.305 14.106 1.00 0.00 C ATOM 1731 CD LYS A 108 2.312 -23.797 14.526 1.00 0.00 C ATOM 1732 CE LYS A 108 2.378 -24.757 13.323 1.00 0.00 C ATOM 1733 NZ LYS A 108 1.228 -24.565 12.400 1.00 0.00 N ATOM 0 H LYS A 108 5.597 -19.559 13.045 1.00 0.00 H new ATOM 0 HA LYS A 108 2.915 -20.270 12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.831 -22.521 12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.471 -22.028 14.122 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.158 -21.685 14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.495 -22.119 13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.157 -23.991 15.186 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.407 -24.001 15.098 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.310 -24.597 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.390 -25.787 13.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.203 -25.343 11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.343 -24.558 12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.333 -23.660 11.898 1.00 0.00 H new ATOM 1747 N LYS A 109 4.321 -19.378 15.047 1.00 0.00 N ATOM 1748 CA LYS A 109 4.263 -18.546 16.273 1.00 0.00 C ATOM 1749 C LYS A 109 3.249 -19.135 17.287 1.00 0.00 C ATOM 1750 O LYS A 109 2.603 -20.153 17.014 1.00 0.00 O ATOM 1751 CB LYS A 109 3.942 -17.054 15.919 1.00 0.00 C ATOM 1752 CG LYS A 109 4.507 -16.003 16.881 1.00 0.00 C ATOM 1753 CD LYS A 109 6.052 -16.003 16.908 1.00 0.00 C ATOM 1754 CE LYS A 109 6.624 -14.757 17.588 1.00 0.00 C ATOM 1755 NZ LYS A 109 6.174 -14.615 18.999 1.00 0.00 N ATOM 0 H LYS A 109 5.187 -19.913 14.975 1.00 0.00 H new ATOM 0 HA LYS A 109 5.243 -18.560 16.750 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.325 -16.847 14.920 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.859 -16.935 15.877 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.151 -15.016 16.587 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.128 -16.192 17.885 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.403 -16.893 17.431 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.430 -16.063 15.888 1.00 0.00 H new ATOM 0 HE2 LYS A 109 7.713 -14.801 17.561 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.327 -13.872 17.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.604 -13.765 19.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.138 -14.528 19.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.465 -15.453 19.542 1.00 0.00 H new ATOM 1769 N ASN A 110 3.149 -18.514 18.471 1.00 0.00 N ATOM 1770 CA ASN A 110 2.160 -18.881 19.502 1.00 0.00 C ATOM 1771 C ASN A 110 1.811 -17.641 20.362 1.00 0.00 C ATOM 1772 O ASN A 110 2.738 -16.942 20.822 1.00 0.00 O ATOM 1773 CB ASN A 110 2.650 -20.082 20.373 1.00 0.00 C ATOM 1774 CG ASN A 110 4.030 -19.881 21.002 1.00 0.00 C ATOM 1775 OD1 ASN A 110 5.057 -20.238 20.418 1.00 0.00 O ATOM 1776 ND2 ASN A 110 4.076 -19.300 22.192 1.00 0.00 N ATOM 1777 OXT ASN A 110 0.607 -17.357 20.555 1.00 0.00 O ATOM 0 H ASN A 110 3.753 -17.739 18.744 1.00 0.00 H new ATOM 0 HA ASN A 110 1.250 -19.218 19.006 1.00 0.00 H new ATOM 0 HB2 ASN A 110 1.924 -20.260 21.167 1.00 0.00 H new ATOM 0 HB3 ASN A 110 2.673 -20.979 19.754 1.00 0.00 H new ATOM 0 HD21 ASN A 110 4.975 -19.139 22.646 1.00 0.00 H new ATOM 0 HD22 ASN A 110 3.213 -19.014 22.654 1.00 0.00 H new TER 1784 ASN A 110