USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 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 98 TYR OH : rot -86:sc= 0.00625 USER MOD Set 1.2: A 102 GLN : amide:sc= -0.457 X(o=-0.45,f=-0.12) USER MOD Set 2.1: A 83 SER OG : rot -26:sc= 0.219 USER MOD Set 2.2: A 85 ASN : amide:sc= -0.385 X(o=-0.17,f=0.14) USER MOD Set 3.1: A 25 THR OG1 : rot 58:sc= 1.22 USER MOD Set 3.2: A 67 ASN : amide:sc= 1.64 K(o=2.9,f=-1.4) USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0.848 USER MOD Set 4.2: A 73 LYS NZ :NH3+ -113:sc= 2.05 (180deg=0.562) USER MOD Set 5.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 24 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.46) USER MOD Set 6.1: A 5 LYS NZ :NH3+ -133:sc= 2.34 (180deg=0.948) USER MOD Set 6.2: A 8 SER OG : rot -16:sc= 1.53 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc=-0.00529 (180deg=-0.156) USER MOD Single : A 9 MET CE :methyl 140:sc= -0.13 (180deg=-0.774) USER MOD Single : A 11 THR OG1 : rot 26:sc= 0.57 USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= 0.0506 (180deg=0.00493) USER MOD Single : A 26 SER OG : rot 180:sc= -0.115 USER MOD Single : A 31 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.18) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -159:sc= -5.97! (180deg=-7.16!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 37 THR OG1 : rot 167:sc= 1.31 USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= 1.27 (180deg=0.251!) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0569) USER MOD Single : A 44 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 HIS : +bothHN:sc= -1.39! C(o=-1.4!,f=-7.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0882 USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= -0.0762 (180deg=-0.482) USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= -0.0713 (180deg=-0.443) USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.038) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.161 F(o=-1.4,f=-0.16) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 70:sc= 0.663 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -128:sc= -0.392 (180deg=-3.98!) USER MOD Single : A 110 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 17.604 25.140 -7.173 1.00 0.00 N ATOM 2 CA VAL A 2 17.498 24.032 -6.235 1.00 0.00 C ATOM 3 C VAL A 2 18.542 22.988 -6.610 1.00 0.00 C ATOM 4 O VAL A 2 18.559 22.499 -7.742 1.00 0.00 O ATOM 5 CB VAL A 2 16.087 23.402 -6.246 1.00 0.00 C ATOM 6 CG1 VAL A 2 15.994 22.245 -5.260 1.00 0.00 C ATOM 7 CG2 VAL A 2 15.034 24.452 -5.936 1.00 0.00 C ATOM 0 HA VAL A 2 17.672 24.405 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 2 15.902 23.007 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.990 21.821 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.720 21.478 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 2 16.206 22.607 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 2 14.046 23.991 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.224 24.878 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.075 25.241 -6.687 1.00 0.00 H new ATOM 17 N ASN A 3 19.404 22.659 -5.663 1.00 0.00 N ATOM 18 CA ASN A 3 20.625 21.912 -5.948 1.00 0.00 C ATOM 19 C ASN A 3 20.346 20.503 -6.449 1.00 0.00 C ATOM 20 O ASN A 3 19.458 19.808 -5.951 1.00 0.00 O ATOM 21 CB ASN A 3 21.517 21.844 -4.708 1.00 0.00 C ATOM 22 CG ASN A 3 21.997 23.212 -4.265 1.00 0.00 C ATOM 23 OD1 ASN A 3 23.031 23.699 -4.721 1.00 0.00 O ATOM 24 ND2 ASN A 3 21.256 23.839 -3.366 1.00 0.00 N ATOM 0 H ASN A 3 19.282 22.899 -4.679 1.00 0.00 H new ATOM 0 HA ASN A 3 21.138 22.452 -6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 3 20.966 21.374 -3.893 1.00 0.00 H new ATOM 0 HB3 ASN A 3 22.379 21.210 -4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 3 21.536 24.759 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 3 20.405 23.402 -3.012 1.00 0.00 H new ATOM 31 N PHE A 4 21.106 20.102 -7.455 1.00 0.00 N ATOM 32 CA PHE A 4 21.078 18.735 -7.940 1.00 0.00 C ATOM 33 C PHE A 4 22.247 17.973 -7.329 1.00 0.00 C ATOM 34 O PHE A 4 23.401 18.164 -7.718 1.00 0.00 O ATOM 35 CB PHE A 4 21.154 18.699 -9.469 1.00 0.00 C ATOM 36 CG PHE A 4 21.062 17.314 -10.043 1.00 0.00 C ATOM 37 CD1 PHE A 4 19.854 16.638 -10.076 1.00 0.00 C ATOM 38 CD2 PHE A 4 22.189 16.688 -10.554 1.00 0.00 C ATOM 39 CE1 PHE A 4 19.769 15.365 -10.606 1.00 0.00 C ATOM 40 CE2 PHE A 4 22.111 15.416 -11.085 1.00 0.00 C ATOM 41 CZ PHE A 4 20.901 14.752 -11.112 1.00 0.00 C ATOM 0 H PHE A 4 21.755 20.711 -7.954 1.00 0.00 H new ATOM 0 HA PHE A 4 20.140 18.265 -7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.348 19.307 -9.879 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.091 19.154 -9.789 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.967 17.112 -9.682 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.139 17.202 -10.536 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.820 14.849 -10.625 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.997 14.940 -11.479 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.838 13.757 -11.527 1.00 0.00 H new ATOM 51 N LYS A 5 21.946 17.136 -6.352 1.00 0.00 N ATOM 52 CA LYS A 5 22.976 16.429 -5.609 1.00 0.00 C ATOM 53 C LYS A 5 23.355 15.123 -6.308 1.00 0.00 C ATOM 54 O LYS A 5 23.126 14.959 -7.508 1.00 0.00 O ATOM 55 CB LYS A 5 22.493 16.170 -4.172 1.00 0.00 C ATOM 56 CG LYS A 5 21.359 15.160 -4.055 1.00 0.00 C ATOM 57 CD LYS A 5 20.692 15.210 -2.685 1.00 0.00 C ATOM 58 CE LYS A 5 21.673 14.972 -1.539 1.00 0.00 C ATOM 59 NZ LYS A 5 22.242 13.598 -1.543 1.00 0.00 N ATOM 0 H LYS A 5 20.993 16.928 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 5 23.872 17.049 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 5 23.336 15.820 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 5 22.167 17.115 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 5 20.616 15.357 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.746 14.157 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.216 16.182 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.903 14.460 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 5 22.485 15.697 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.166 15.147 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 22.193 13.199 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.697 12.998 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 23.234 13.634 -1.853 1.00 0.00 H new ATOM 73 N ASP A 6 23.966 14.217 -5.558 1.00 0.00 N ATOM 74 CA ASP A 6 24.348 12.900 -6.067 1.00 0.00 C ATOM 75 C ASP A 6 23.118 12.046 -6.382 1.00 0.00 C ATOM 76 O ASP A 6 21.980 12.510 -6.281 1.00 0.00 O ATOM 77 CB ASP A 6 25.219 12.178 -5.036 1.00 0.00 C ATOM 78 CG ASP A 6 24.490 11.961 -3.725 1.00 0.00 C ATOM 79 OD1 ASP A 6 24.433 12.910 -2.910 1.00 0.00 O ATOM 80 OD2 ASP A 6 23.960 10.851 -3.508 1.00 0.00 O ATOM 0 H ASP A 6 24.212 14.370 -4.580 1.00 0.00 H new ATOM 0 HA ASP A 6 24.909 13.046 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 6 25.534 11.215 -5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 6 26.123 12.759 -4.855 1.00 0.00 H new ATOM 85 N LYS A 7 23.354 10.789 -6.747 1.00 0.00 N ATOM 86 CA LYS A 7 22.275 9.877 -7.106 1.00 0.00 C ATOM 87 C LYS A 7 21.554 9.376 -5.855 1.00 0.00 C ATOM 88 O LYS A 7 21.758 8.245 -5.410 1.00 0.00 O ATOM 89 CB LYS A 7 22.822 8.694 -7.913 1.00 0.00 C ATOM 90 CG LYS A 7 21.748 7.754 -8.446 1.00 0.00 C ATOM 91 CD LYS A 7 22.359 6.553 -9.155 1.00 0.00 C ATOM 92 CE LYS A 7 23.170 5.692 -8.198 1.00 0.00 C ATOM 93 NZ LYS A 7 22.316 5.070 -7.151 1.00 0.00 N ATOM 0 H LYS A 7 24.286 10.379 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 7 21.559 10.420 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 7 23.402 9.078 -8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 7 23.508 8.126 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 7 21.121 7.412 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 7 21.100 8.294 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 7 21.567 5.953 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 7 22.999 6.896 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 7 23.683 4.911 -8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 7 23.939 6.302 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.860 4.339 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.009 5.799 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.482 4.636 -7.596 1.00 0.00 H new ATOM 107 N SER A 8 20.727 10.234 -5.281 1.00 0.00 N ATOM 108 CA SER A 8 20.003 9.900 -4.069 1.00 0.00 C ATOM 109 C SER A 8 18.557 9.533 -4.373 1.00 0.00 C ATOM 110 O SER A 8 17.740 10.394 -4.698 1.00 0.00 O ATOM 111 CB SER A 8 20.038 11.071 -3.094 1.00 0.00 C ATOM 112 OG SER A 8 21.359 11.547 -2.917 1.00 0.00 O ATOM 0 H SER A 8 20.541 11.171 -5.638 1.00 0.00 H new ATOM 0 HA SER A 8 20.491 9.036 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.405 11.877 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.628 10.760 -2.133 1.00 0.00 H new ATOM 0 HG SER A 8 21.995 10.880 -3.252 1.00 0.00 H new ATOM 118 N MET A 9 18.252 8.252 -4.277 1.00 0.00 N ATOM 119 CA MET A 9 16.882 7.775 -4.416 1.00 0.00 C ATOM 120 C MET A 9 16.630 6.653 -3.416 1.00 0.00 C ATOM 121 O MET A 9 16.553 5.483 -3.788 1.00 0.00 O ATOM 122 CB MET A 9 16.601 7.285 -5.844 1.00 0.00 C ATOM 123 CG MET A 9 16.628 8.391 -6.894 1.00 0.00 C ATOM 124 SD MET A 9 16.224 7.801 -8.552 1.00 0.00 S ATOM 125 CE MET A 9 14.550 7.216 -8.303 1.00 0.00 C ATOM 0 H MET A 9 18.937 7.517 -4.102 1.00 0.00 H new ATOM 0 HA MET A 9 16.207 8.606 -4.212 1.00 0.00 H new ATOM 0 HB2 MET A 9 17.339 6.528 -6.109 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.625 6.801 -5.866 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.922 9.171 -6.610 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.618 8.847 -6.908 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.939 7.483 -9.166 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.557 6.132 -8.184 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.133 7.676 -7.407 1.00 0.00 H new ATOM 135 N PRO A 10 16.544 6.995 -2.118 1.00 0.00 N ATOM 136 CA PRO A 10 16.360 6.030 -1.052 1.00 0.00 C ATOM 137 C PRO A 10 14.898 5.877 -0.642 1.00 0.00 C ATOM 138 O PRO A 10 13.994 6.311 -1.357 1.00 0.00 O ATOM 139 CB PRO A 10 17.175 6.660 0.080 1.00 0.00 C ATOM 140 CG PRO A 10 17.082 8.142 -0.144 1.00 0.00 C ATOM 141 CD PRO A 10 16.635 8.356 -1.574 1.00 0.00 C ATOM 0 HA PRO A 10 16.668 5.023 -1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.774 6.383 1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.211 6.322 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.373 8.592 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.047 8.618 0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.675 8.871 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.350 8.963 -2.130 1.00 0.00 H new ATOM 149 N THR A 11 14.691 5.267 0.526 1.00 0.00 N ATOM 150 CA THR A 11 13.362 5.061 1.104 1.00 0.00 C ATOM 151 C THR A 11 12.376 4.440 0.108 1.00 0.00 C ATOM 152 O THR A 11 11.507 5.119 -0.440 1.00 0.00 O ATOM 153 CB THR A 11 12.779 6.368 1.698 1.00 0.00 C ATOM 154 OG1 THR A 11 12.890 7.455 0.766 1.00 0.00 O ATOM 155 CG2 THR A 11 13.492 6.734 2.990 1.00 0.00 C ATOM 0 H THR A 11 15.448 4.899 1.102 1.00 0.00 H new ATOM 0 HA THR A 11 13.499 4.349 1.917 1.00 0.00 H new ATOM 0 HB THR A 11 11.724 6.192 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.921 7.101 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.068 7.655 3.391 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.366 5.930 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.554 6.880 2.791 1.00 0.00 H new ATOM 163 N ALA A 12 12.520 3.137 -0.113 1.00 0.00 N ATOM 164 CA ALA A 12 11.678 2.415 -1.064 1.00 0.00 C ATOM 165 C ALA A 12 10.216 2.412 -0.627 1.00 0.00 C ATOM 166 O ALA A 12 9.320 2.722 -1.412 1.00 0.00 O ATOM 167 CB ALA A 12 12.182 0.988 -1.231 1.00 0.00 C ATOM 0 H ALA A 12 13.215 2.556 0.356 1.00 0.00 H new ATOM 0 HA ALA A 12 11.737 2.930 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.547 0.459 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.207 1.005 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.153 0.477 -0.269 1.00 0.00 H new ATOM 173 N ILE A 13 9.984 2.068 0.635 1.00 0.00 N ATOM 174 CA ILE A 13 8.632 2.011 1.185 1.00 0.00 C ATOM 175 C ILE A 13 7.979 3.391 1.149 1.00 0.00 C ATOM 176 O ILE A 13 6.768 3.517 0.988 1.00 0.00 O ATOM 177 CB ILE A 13 8.642 1.478 2.637 1.00 0.00 C ATOM 178 CG1 ILE A 13 9.363 0.125 2.706 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.224 1.353 3.182 1.00 0.00 C ATOM 180 CD1 ILE A 13 8.752 -0.943 1.822 1.00 0.00 C ATOM 0 H ILE A 13 10.718 1.823 1.300 1.00 0.00 H new ATOM 0 HA ILE A 13 8.053 1.325 0.567 1.00 0.00 H new ATOM 0 HB ILE A 13 9.182 2.194 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.406 0.265 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.359 -0.226 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.259 0.976 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.743 2.331 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.655 0.662 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.317 -1.869 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.718 -1.114 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.781 -0.615 0.783 1.00 0.00 H new ATOM 192 N GLU A 14 8.800 4.423 1.265 1.00 0.00 N ATOM 193 CA GLU A 14 8.318 5.796 1.249 1.00 0.00 C ATOM 194 C GLU A 14 7.738 6.120 -0.126 1.00 0.00 C ATOM 195 O GLU A 14 6.674 6.717 -0.233 1.00 0.00 O ATOM 196 CB GLU A 14 9.476 6.742 1.597 1.00 0.00 C ATOM 197 CG GLU A 14 9.064 8.142 2.044 1.00 0.00 C ATOM 198 CD GLU A 14 8.509 9.003 0.927 1.00 0.00 C ATOM 199 OE1 GLU A 14 9.258 9.315 -0.019 1.00 0.00 O ATOM 200 OE2 GLU A 14 7.322 9.369 1.003 1.00 0.00 O ATOM 0 H GLU A 14 9.811 4.335 1.372 1.00 0.00 H new ATOM 0 HA GLU A 14 7.529 5.925 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.070 6.286 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.123 6.833 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.314 8.056 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.928 8.643 2.481 1.00 0.00 H new ATOM 207 N LYS A 15 8.428 5.686 -1.175 1.00 0.00 N ATOM 208 CA LYS A 15 7.974 5.944 -2.533 1.00 0.00 C ATOM 209 C LYS A 15 6.797 5.048 -2.902 1.00 0.00 C ATOM 210 O LYS A 15 6.037 5.356 -3.817 1.00 0.00 O ATOM 211 CB LYS A 15 9.127 5.792 -3.528 1.00 0.00 C ATOM 212 CG LYS A 15 10.220 6.830 -3.320 1.00 0.00 C ATOM 213 CD LYS A 15 9.648 8.241 -3.361 1.00 0.00 C ATOM 214 CE LYS A 15 10.665 9.289 -2.943 1.00 0.00 C ATOM 215 NZ LYS A 15 10.021 10.616 -2.765 1.00 0.00 N ATOM 0 H LYS A 15 9.298 5.157 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 15 7.624 6.975 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.556 4.794 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.739 5.876 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.710 6.660 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.982 6.720 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.299 8.460 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.780 8.298 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.143 8.985 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.450 9.360 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.741 11.363 -2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.305 10.756 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.566 10.658 -1.831 1.00 0.00 H new ATOM 229 N ALA A 16 6.635 3.949 -2.177 1.00 0.00 N ATOM 230 CA ALA A 16 5.432 3.137 -2.308 1.00 0.00 C ATOM 231 C ALA A 16 4.236 3.928 -1.788 1.00 0.00 C ATOM 232 O ALA A 16 3.148 3.900 -2.367 1.00 0.00 O ATOM 233 CB ALA A 16 5.583 1.826 -1.553 1.00 0.00 C ATOM 0 H ALA A 16 7.313 3.602 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 16 5.273 2.895 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.674 1.235 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.429 1.269 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.755 2.032 -0.497 1.00 0.00 H new ATOM 239 N LEU A 17 4.465 4.654 -0.699 1.00 0.00 N ATOM 240 CA LEU A 17 3.466 5.559 -0.144 1.00 0.00 C ATOM 241 C LEU A 17 3.186 6.705 -1.108 1.00 0.00 C ATOM 242 O LEU A 17 2.062 7.199 -1.186 1.00 0.00 O ATOM 243 CB LEU A 17 3.932 6.115 1.206 1.00 0.00 C ATOM 244 CG LEU A 17 3.473 5.342 2.442 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.961 5.404 2.558 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.952 3.898 2.402 1.00 0.00 C ATOM 0 H LEU A 17 5.342 4.632 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 17 2.546 4.995 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.021 6.148 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.581 7.143 1.294 1.00 0.00 H new ATOM 0 HG LEU A 17 3.915 5.809 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.641 4.851 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.645 6.443 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.510 4.962 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.609 3.376 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.550 3.406 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.041 3.877 2.365 1.00 0.00 H new ATOM 258 N ASP A 18 4.217 7.113 -1.845 1.00 0.00 N ATOM 259 CA ASP A 18 4.090 8.168 -2.850 1.00 0.00 C ATOM 260 C ASP A 18 3.091 7.752 -3.931 1.00 0.00 C ATOM 261 O ASP A 18 2.333 8.576 -4.439 1.00 0.00 O ATOM 262 CB ASP A 18 5.457 8.477 -3.472 1.00 0.00 C ATOM 263 CG ASP A 18 5.433 9.678 -4.403 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.609 10.815 -3.914 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.270 9.487 -5.624 1.00 0.00 O ATOM 0 H ASP A 18 5.157 6.726 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 18 3.719 9.071 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.179 8.657 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.803 7.604 -4.025 1.00 0.00 H new ATOM 270 N PHE A 19 3.095 6.462 -4.270 1.00 0.00 N ATOM 271 CA PHE A 19 2.098 5.902 -5.184 1.00 0.00 C ATOM 272 C PHE A 19 0.703 5.991 -4.578 1.00 0.00 C ATOM 273 O PHE A 19 -0.265 6.329 -5.259 1.00 0.00 O ATOM 274 CB PHE A 19 2.393 4.431 -5.495 1.00 0.00 C ATOM 275 CG PHE A 19 3.472 4.199 -6.512 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.203 4.350 -7.861 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.741 3.805 -6.124 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.180 4.115 -8.805 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.724 3.571 -7.064 1.00 0.00 C ATOM 280 CZ PHE A 19 5.443 3.726 -8.407 1.00 0.00 C ATOM 0 H PHE A 19 3.777 5.786 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 19 2.145 6.485 -6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.674 3.929 -4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.476 3.959 -5.847 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.217 4.655 -8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.964 3.679 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.957 4.235 -9.855 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.712 3.267 -6.750 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.210 3.543 -9.145 1.00 0.00 H new ATOM 290 N ILE A 20 0.617 5.662 -3.293 1.00 0.00 N ATOM 291 CA ILE A 20 -0.659 5.623 -2.585 1.00 0.00 C ATOM 292 C ILE A 20 -1.260 7.020 -2.425 1.00 0.00 C ATOM 293 O ILE A 20 -2.385 7.268 -2.854 1.00 0.00 O ATOM 294 CB ILE A 20 -0.501 4.962 -1.198 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.089 3.558 -1.347 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.838 4.902 -0.472 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.363 2.869 -0.027 1.00 0.00 C ATOM 0 H ILE A 20 1.422 5.417 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.340 5.025 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 20 0.181 5.569 -0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.598 2.945 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.018 3.622 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.702 4.433 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.225 5.912 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.546 4.318 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.780 1.879 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.074 3.459 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.567 2.772 0.533 1.00 0.00 H new ATOM 309 N GLY A 21 -0.505 7.922 -1.810 1.00 0.00 N ATOM 310 CA GLY A 21 -0.994 9.271 -1.572 1.00 0.00 C ATOM 311 C GLY A 21 -1.105 10.084 -2.847 1.00 0.00 C ATOM 312 O GLY A 21 -2.138 10.698 -3.120 1.00 0.00 O ATOM 0 H GLY A 21 0.440 7.745 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.971 9.220 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.324 9.779 -0.878 1.00 0.00 H new ATOM 316 N GLY A 22 -0.037 10.081 -3.632 1.00 0.00 N ATOM 317 CA GLY A 22 -0.032 10.792 -4.894 1.00 0.00 C ATOM 318 C GLY A 22 0.219 12.281 -4.735 1.00 0.00 C ATOM 319 O GLY A 22 1.298 12.776 -5.068 1.00 0.00 O ATOM 0 H GLY A 22 0.833 9.595 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.735 10.367 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.989 10.642 -5.393 1.00 0.00 H new ATOM 323 N MET A 23 -0.768 12.992 -4.209 1.00 0.00 N ATOM 324 CA MET A 23 -0.712 14.447 -4.145 1.00 0.00 C ATOM 325 C MET A 23 -1.148 14.937 -2.761 1.00 0.00 C ATOM 326 O MET A 23 -1.561 14.141 -1.919 1.00 0.00 O ATOM 327 CB MET A 23 -1.608 15.046 -5.238 1.00 0.00 C ATOM 328 CG MET A 23 -1.323 16.507 -5.553 1.00 0.00 C ATOM 329 SD MET A 23 0.370 16.779 -6.118 1.00 0.00 S ATOM 330 CE MET A 23 0.326 18.526 -6.515 1.00 0.00 C ATOM 0 H MET A 23 -1.619 12.585 -3.820 1.00 0.00 H new ATOM 0 HA MET A 23 0.315 14.773 -4.312 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.489 14.460 -6.150 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.649 14.950 -4.931 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.017 16.852 -6.319 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.506 17.109 -4.663 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.304 18.841 -6.879 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.423 18.705 -7.287 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.070 19.096 -5.622 1.00 0.00 H new ATOM 340 N ASN A 24 -1.054 16.245 -2.539 1.00 0.00 N ATOM 341 CA ASN A 24 -1.403 16.841 -1.252 1.00 0.00 C ATOM 342 C ASN A 24 -2.907 16.773 -0.995 1.00 0.00 C ATOM 343 O ASN A 24 -3.693 16.465 -1.894 1.00 0.00 O ATOM 344 CB ASN A 24 -0.928 18.300 -1.189 1.00 0.00 C ATOM 345 CG ASN A 24 -1.606 19.194 -2.218 1.00 0.00 C ATOM 346 OD1 ASN A 24 -1.162 19.286 -3.361 1.00 0.00 O ATOM 347 ND2 ASN A 24 -2.666 19.882 -1.815 1.00 0.00 N ATOM 0 H ASN A 24 -0.737 16.916 -3.238 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.899 16.266 -0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.119 18.695 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.151 18.332 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.141 20.513 -2.461 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.007 19.780 -0.859 1.00 0.00 H new ATOM 354 N THR A 25 -3.294 17.070 0.240 1.00 0.00 N ATOM 355 CA THR A 25 -4.695 17.064 0.636 1.00 0.00 C ATOM 356 C THR A 25 -5.522 18.041 -0.203 1.00 0.00 C ATOM 357 O THR A 25 -5.246 19.243 -0.247 1.00 0.00 O ATOM 358 CB THR A 25 -4.860 17.391 2.140 1.00 0.00 C ATOM 359 OG1 THR A 25 -6.246 17.557 2.472 1.00 0.00 O ATOM 360 CG2 THR A 25 -4.089 18.650 2.527 1.00 0.00 C ATOM 0 H THR A 25 -2.649 17.320 0.990 1.00 0.00 H new ATOM 0 HA THR A 25 -5.068 16.055 0.457 1.00 0.00 H new ATOM 0 HB THR A 25 -4.452 16.550 2.701 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.739 16.743 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.228 18.849 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.029 18.505 2.320 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.459 19.496 1.948 1.00 0.00 H new ATOM 368 N SER A 26 -6.519 17.504 -0.891 1.00 0.00 N ATOM 369 CA SER A 26 -7.444 18.298 -1.694 1.00 0.00 C ATOM 370 C SER A 26 -8.741 17.514 -1.871 1.00 0.00 C ATOM 371 O SER A 26 -9.835 18.016 -1.615 1.00 0.00 O ATOM 372 CB SER A 26 -6.837 18.625 -3.063 1.00 0.00 C ATOM 373 OG SER A 26 -5.628 19.359 -2.933 1.00 0.00 O ATOM 0 H SER A 26 -6.712 16.503 -0.910 1.00 0.00 H new ATOM 0 HA SER A 26 -7.644 19.239 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.646 17.701 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.552 19.200 -3.651 1.00 0.00 H new ATOM 0 HG SER A 26 -5.265 19.551 -3.823 1.00 0.00 H new ATOM 379 N ALA A 27 -8.592 16.269 -2.297 1.00 0.00 N ATOM 380 CA ALA A 27 -9.708 15.348 -2.432 1.00 0.00 C ATOM 381 C ALA A 27 -9.417 14.090 -1.625 1.00 0.00 C ATOM 382 O ALA A 27 -8.527 14.091 -0.779 1.00 0.00 O ATOM 383 CB ALA A 27 -9.940 15.011 -3.899 1.00 0.00 C ATOM 0 H ALA A 27 -7.691 15.869 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.616 15.814 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.779 14.320 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.163 15.924 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.044 14.547 -4.312 1.00 0.00 H new ATOM 389 N SER A 28 -10.125 13.007 -1.911 1.00 0.00 N ATOM 390 CA SER A 28 -9.932 11.761 -1.199 1.00 0.00 C ATOM 391 C SER A 28 -9.008 10.904 -2.031 1.00 0.00 C ATOM 392 O SER A 28 -9.018 9.676 -1.933 1.00 0.00 O ATOM 393 CB SER A 28 -11.275 11.079 -1.038 1.00 0.00 C ATOM 394 OG SER A 28 -11.210 9.970 -0.162 1.00 0.00 O ATOM 0 H SER A 28 -10.841 12.971 -2.636 1.00 0.00 H new ATOM 0 HA SER A 28 -9.502 11.927 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.002 11.797 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.632 10.749 -2.013 1.00 0.00 H new ATOM 0 HG SER A 28 -12.097 9.561 -0.086 1.00 0.00 H new ATOM 400 N VAL A 29 -8.207 11.611 -2.837 1.00 0.00 N ATOM 401 CA VAL A 29 -7.443 11.034 -3.938 1.00 0.00 C ATOM 402 C VAL A 29 -8.388 10.987 -5.148 1.00 0.00 C ATOM 403 O VAL A 29 -9.593 11.149 -4.950 1.00 0.00 O ATOM 404 CB VAL A 29 -6.867 9.644 -3.529 1.00 0.00 C ATOM 405 CG1 VAL A 29 -6.305 8.834 -4.687 1.00 0.00 C ATOM 406 CG2 VAL A 29 -5.789 9.833 -2.472 1.00 0.00 C ATOM 0 H VAL A 29 -8.073 12.617 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.569 11.632 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.708 9.071 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.926 7.882 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.092 8.650 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.494 9.388 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.386 8.862 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.989 10.453 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.219 10.320 -1.597 1.00 0.00 H new ATOM 416 N PRO A 30 -7.871 10.931 -6.403 1.00 0.00 N ATOM 417 CA PRO A 30 -8.661 10.743 -7.641 1.00 0.00 C ATOM 418 C PRO A 30 -9.960 9.914 -7.521 1.00 0.00 C ATOM 419 O PRO A 30 -10.764 9.903 -8.457 1.00 0.00 O ATOM 420 CB PRO A 30 -7.657 10.024 -8.530 1.00 0.00 C ATOM 421 CG PRO A 30 -6.329 10.606 -8.157 1.00 0.00 C ATOM 422 CD PRO A 30 -6.461 11.170 -6.757 1.00 0.00 C ATOM 0 HA PRO A 30 -9.044 11.699 -7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.679 8.947 -8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.877 10.185 -9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.552 9.843 -8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.041 11.387 -8.860 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.786 10.672 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.218 12.232 -6.731 1.00 0.00 H new ATOM 430 N HIS A 31 -10.129 9.186 -6.413 1.00 0.00 N ATOM 431 CA HIS A 31 -11.394 8.545 -6.029 1.00 0.00 C ATOM 432 C HIS A 31 -11.519 7.164 -6.666 1.00 0.00 C ATOM 433 O HIS A 31 -11.862 6.186 -6.004 1.00 0.00 O ATOM 434 CB HIS A 31 -12.623 9.391 -6.395 1.00 0.00 C ATOM 435 CG HIS A 31 -12.656 10.739 -5.745 1.00 0.00 C ATOM 436 ND1 HIS A 31 -12.574 11.914 -6.456 1.00 0.00 N ATOM 437 CD2 HIS A 31 -12.787 11.095 -4.445 1.00 0.00 C ATOM 438 CE1 HIS A 31 -12.648 12.934 -5.625 1.00 0.00 C ATOM 439 NE2 HIS A 31 -12.780 12.469 -4.395 1.00 0.00 N ATOM 0 H HIS A 31 -9.377 9.022 -5.744 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.369 8.448 -4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.651 9.521 -7.477 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -13.523 8.843 -6.116 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.880 10.424 -3.604 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.608 13.977 -5.903 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.863 13.035 -3.550 1.00 0.00 H new ATOM 448 N SER A 32 -11.247 7.109 -7.960 1.00 0.00 N ATOM 449 CA SER A 32 -11.289 5.869 -8.729 1.00 0.00 C ATOM 450 C SER A 32 -9.991 5.104 -8.591 1.00 0.00 C ATOM 451 O SER A 32 -9.970 3.913 -8.275 1.00 0.00 O ATOM 452 CB SER A 32 -11.449 6.206 -10.198 1.00 0.00 C ATOM 453 OG SER A 32 -12.593 7.014 -10.421 1.00 0.00 O ATOM 0 H SER A 32 -10.989 7.927 -8.512 1.00 0.00 H new ATOM 0 HA SER A 32 -12.118 5.268 -8.356 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.559 6.726 -10.553 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.533 5.286 -10.777 1.00 0.00 H new ATOM 0 HG SER A 32 -12.669 7.217 -11.377 1.00 0.00 H new ATOM 459 N MET A 33 -8.920 5.831 -8.865 1.00 0.00 N ATOM 460 CA MET A 33 -7.570 5.302 -8.906 1.00 0.00 C ATOM 461 C MET A 33 -7.273 4.528 -7.619 1.00 0.00 C ATOM 462 O MET A 33 -6.583 3.507 -7.640 1.00 0.00 O ATOM 463 CB MET A 33 -6.622 6.500 -9.093 1.00 0.00 C ATOM 464 CG MET A 33 -5.278 6.202 -9.749 1.00 0.00 C ATOM 465 SD MET A 33 -4.123 5.357 -8.660 1.00 0.00 S ATOM 466 CE MET A 33 -4.621 6.026 -7.082 1.00 0.00 C ATOM 0 H MET A 33 -8.968 6.829 -9.070 1.00 0.00 H new ATOM 0 HA MET A 33 -7.437 4.600 -9.729 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.135 7.252 -9.692 1.00 0.00 H new ATOM 0 HB3 MET A 33 -6.435 6.944 -8.115 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.443 5.591 -10.636 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.831 7.138 -10.085 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.807 5.914 -6.366 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.863 7.083 -7.195 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.498 5.490 -6.720 1.00 0.00 H new ATOM 476 N ASP A 34 -7.831 5.035 -6.519 1.00 0.00 N ATOM 477 CA ASP A 34 -7.703 4.452 -5.183 1.00 0.00 C ATOM 478 C ASP A 34 -7.839 2.942 -5.218 1.00 0.00 C ATOM 479 O ASP A 34 -6.890 2.210 -4.950 1.00 0.00 O ATOM 480 CB ASP A 34 -8.813 4.975 -4.261 1.00 0.00 C ATOM 481 CG ASP A 34 -8.998 6.479 -4.272 1.00 0.00 C ATOM 482 OD1 ASP A 34 -8.734 7.120 -5.311 1.00 0.00 O ATOM 483 OD2 ASP A 34 -9.474 7.013 -3.253 1.00 0.00 O ATOM 0 H ASP A 34 -8.398 5.883 -6.533 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.716 4.733 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.754 4.506 -4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.597 4.658 -3.241 1.00 0.00 H new ATOM 488 N GLU A 35 -9.036 2.501 -5.567 1.00 0.00 N ATOM 489 CA GLU A 35 -9.415 1.103 -5.487 1.00 0.00 C ATOM 490 C GLU A 35 -8.445 0.192 -6.234 1.00 0.00 C ATOM 491 O GLU A 35 -7.752 -0.613 -5.620 1.00 0.00 O ATOM 492 CB GLU A 35 -10.831 0.939 -6.030 1.00 0.00 C ATOM 493 CG GLU A 35 -11.903 1.385 -5.051 1.00 0.00 C ATOM 494 CD GLU A 35 -12.105 0.387 -3.931 1.00 0.00 C ATOM 495 OE1 GLU A 35 -12.764 -0.651 -4.169 1.00 0.00 O ATOM 496 OE2 GLU A 35 -11.606 0.616 -2.820 1.00 0.00 O ATOM 0 H GLU A 35 -9.777 3.109 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.378 0.802 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.928 1.513 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.996 -0.107 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.628 2.352 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.843 1.526 -5.584 1.00 0.00 H new ATOM 503 N SER A 36 -8.367 0.338 -7.545 1.00 0.00 N ATOM 504 CA SER A 36 -7.596 -0.593 -8.355 1.00 0.00 C ATOM 505 C SER A 36 -6.090 -0.490 -8.084 1.00 0.00 C ATOM 506 O SER A 36 -5.412 -1.513 -7.957 1.00 0.00 O ATOM 507 CB SER A 36 -7.902 -0.376 -9.838 1.00 0.00 C ATOM 508 OG SER A 36 -7.972 1.004 -10.154 1.00 0.00 O ATOM 0 H SER A 36 -8.823 1.085 -8.069 1.00 0.00 H new ATOM 0 HA SER A 36 -7.896 -1.603 -8.074 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.130 -0.851 -10.444 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.847 -0.857 -10.091 1.00 0.00 H new ATOM 0 HG SER A 36 -8.167 1.112 -11.108 1.00 0.00 H new ATOM 514 N THR A 37 -5.574 0.727 -7.968 1.00 0.00 N ATOM 515 CA THR A 37 -4.138 0.919 -7.834 1.00 0.00 C ATOM 516 C THR A 37 -3.646 0.655 -6.414 1.00 0.00 C ATOM 517 O THR A 37 -2.737 -0.151 -6.208 1.00 0.00 O ATOM 518 CB THR A 37 -3.714 2.326 -8.272 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.202 2.590 -9.595 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.198 2.465 -8.259 1.00 0.00 C ATOM 0 H THR A 37 -6.123 1.587 -7.964 1.00 0.00 H new ATOM 0 HA THR A 37 -3.674 0.187 -8.495 1.00 0.00 H new ATOM 0 HB THR A 37 -4.138 3.044 -7.570 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.120 3.547 -9.789 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.922 3.472 -8.573 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.825 2.285 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.760 1.738 -8.943 1.00 0.00 H new ATOM 528 N ALA A 38 -4.254 1.311 -5.437 1.00 0.00 N ATOM 529 CA ALA A 38 -3.797 1.201 -4.060 1.00 0.00 C ATOM 530 C ALA A 38 -4.022 -0.208 -3.525 1.00 0.00 C ATOM 531 O ALA A 38 -3.130 -0.779 -2.899 1.00 0.00 O ATOM 532 CB ALA A 38 -4.476 2.233 -3.178 1.00 0.00 C ATOM 0 H ALA A 38 -5.060 1.921 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.726 1.400 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.117 2.129 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.245 3.233 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.555 2.079 -3.202 1.00 0.00 H new ATOM 538 N LYS A 39 -5.197 -0.780 -3.785 1.00 0.00 N ATOM 539 CA LYS A 39 -5.466 -2.156 -3.374 1.00 0.00 C ATOM 540 C LYS A 39 -4.542 -3.112 -4.114 1.00 0.00 C ATOM 541 O LYS A 39 -4.058 -4.086 -3.535 1.00 0.00 O ATOM 542 CB LYS A 39 -6.929 -2.547 -3.618 1.00 0.00 C ATOM 543 CG LYS A 39 -7.895 -2.007 -2.578 1.00 0.00 C ATOM 544 CD LYS A 39 -9.337 -2.345 -2.932 1.00 0.00 C ATOM 545 CE LYS A 39 -10.282 -2.032 -1.782 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.708 -2.158 -2.179 1.00 0.00 N ATOM 0 H LYS A 39 -5.967 -0.320 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.278 -2.224 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.231 -2.187 -4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.005 -3.634 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.651 -2.424 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.782 -0.926 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.638 -1.781 -3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.412 -3.402 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.077 -2.707 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.094 -1.020 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.303 -1.628 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.837 -1.774 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.984 -3.161 -2.168 1.00 0.00 H new ATOM 560 N GLY A 40 -4.287 -2.817 -5.386 1.00 0.00 N ATOM 561 CA GLY A 40 -3.391 -3.639 -6.173 1.00 0.00 C ATOM 562 C GLY A 40 -1.991 -3.685 -5.592 1.00 0.00 C ATOM 563 O GLY A 40 -1.430 -4.764 -5.400 1.00 0.00 O ATOM 0 H GLY A 40 -4.687 -2.022 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.790 -4.652 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.347 -3.252 -7.191 1.00 0.00 H new ATOM 567 N ILE A 41 -1.434 -2.516 -5.299 1.00 0.00 N ATOM 568 CA ILE A 41 -0.091 -2.430 -4.737 1.00 0.00 C ATOM 569 C ILE A 41 -0.047 -3.026 -3.328 1.00 0.00 C ATOM 570 O ILE A 41 0.848 -3.808 -3.008 1.00 0.00 O ATOM 571 CB ILE A 41 0.425 -0.971 -4.711 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.564 -0.429 -6.142 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.752 -0.883 -3.969 1.00 0.00 C ATOM 574 CD1 ILE A 41 1.142 0.972 -6.223 1.00 0.00 C ATOM 0 H ILE A 41 -1.891 -1.615 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 41 0.565 -3.011 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.301 -0.356 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.198 -1.105 -6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.417 -0.433 -6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.097 0.151 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.619 -1.228 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.491 -1.509 -4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.207 1.279 -7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.497 1.664 -5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.138 0.981 -5.780 1.00 0.00 H new ATOM 586 N LEU A 42 -1.028 -2.679 -2.499 1.00 0.00 N ATOM 587 CA LEU A 42 -1.079 -3.177 -1.126 1.00 0.00 C ATOM 588 C LEU A 42 -1.155 -4.699 -1.090 1.00 0.00 C ATOM 589 O LEU A 42 -0.445 -5.345 -0.317 1.00 0.00 O ATOM 590 CB LEU A 42 -2.274 -2.590 -0.374 1.00 0.00 C ATOM 591 CG LEU A 42 -2.181 -1.098 -0.044 1.00 0.00 C ATOM 592 CD1 LEU A 42 -3.459 -0.623 0.631 1.00 0.00 C ATOM 593 CD2 LEU A 42 -0.976 -0.824 0.844 1.00 0.00 C ATOM 0 H LEU A 42 -1.796 -2.057 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.158 -2.860 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.172 -2.757 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.401 -3.142 0.557 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.056 -0.545 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.377 0.440 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.305 -0.786 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.612 -1.181 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.925 0.241 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.073 -1.387 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.066 -1.130 0.327 1.00 0.00 H new ATOM 605 N LYS A 43 -2.021 -5.263 -1.920 1.00 0.00 N ATOM 606 CA LYS A 43 -2.194 -6.707 -1.992 1.00 0.00 C ATOM 607 C LYS A 43 -0.899 -7.362 -2.460 1.00 0.00 C ATOM 608 O LYS A 43 -0.444 -8.348 -1.878 1.00 0.00 O ATOM 609 CB LYS A 43 -3.350 -7.029 -2.944 1.00 0.00 C ATOM 610 CG LYS A 43 -3.840 -8.466 -2.891 1.00 0.00 C ATOM 611 CD LYS A 43 -5.110 -8.628 -3.717 1.00 0.00 C ATOM 612 CE LYS A 43 -5.631 -10.057 -3.706 1.00 0.00 C ATOM 613 NZ LYS A 43 -4.703 -10.998 -4.384 1.00 0.00 N ATOM 0 H LYS A 43 -2.619 -4.738 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.434 -7.102 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.185 -6.367 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.035 -6.805 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.066 -9.134 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.033 -8.753 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.880 -7.961 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.913 -8.324 -4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.783 -10.379 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.603 -10.091 -4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.150 -11.934 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.484 -10.643 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.824 -11.076 -3.833 1.00 0.00 H new ATOM 627 N TYR A 44 -0.292 -6.766 -3.481 1.00 0.00 N ATOM 628 CA TYR A 44 0.961 -7.257 -4.049 1.00 0.00 C ATOM 629 C TYR A 44 2.085 -7.241 -3.010 1.00 0.00 C ATOM 630 O TYR A 44 2.852 -8.196 -2.897 1.00 0.00 O ATOM 631 CB TYR A 44 1.336 -6.394 -5.259 1.00 0.00 C ATOM 632 CG TYR A 44 2.533 -6.885 -6.040 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.489 -8.081 -6.746 1.00 0.00 C ATOM 634 CD2 TYR A 44 3.700 -6.138 -6.089 1.00 0.00 C ATOM 635 CE1 TYR A 44 3.580 -8.516 -7.476 1.00 0.00 C ATOM 636 CE2 TYR A 44 4.792 -6.567 -6.812 1.00 0.00 C ATOM 637 CZ TYR A 44 4.729 -7.756 -7.505 1.00 0.00 C ATOM 638 OH TYR A 44 5.816 -8.181 -8.233 1.00 0.00 O ATOM 0 H TYR A 44 -0.654 -5.929 -3.939 1.00 0.00 H new ATOM 0 HA TYR A 44 0.823 -8.291 -4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.479 -6.341 -5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.535 -5.379 -4.916 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.590 -8.679 -6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.754 -5.203 -5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.532 -9.447 -8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.694 -5.973 -6.835 1.00 0.00 H new ATOM 0 HH TYR A 44 6.444 -7.437 -8.348 1.00 0.00 H new ATOM 648 N LEU A 45 2.172 -6.153 -2.248 1.00 0.00 N ATOM 649 CA LEU A 45 3.203 -6.014 -1.219 1.00 0.00 C ATOM 650 C LEU A 45 3.065 -7.089 -0.143 1.00 0.00 C ATOM 651 O LEU A 45 4.059 -7.680 0.286 1.00 0.00 O ATOM 652 CB LEU A 45 3.137 -4.627 -0.574 1.00 0.00 C ATOM 653 CG LEU A 45 3.501 -3.456 -1.491 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.362 -2.139 -0.747 1.00 0.00 C ATOM 655 CD2 LEU A 45 4.915 -3.614 -2.025 1.00 0.00 C ATOM 0 H LEU A 45 1.542 -5.354 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 45 4.170 -6.137 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.127 -4.469 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.806 -4.613 0.287 1.00 0.00 H new ATOM 0 HG LEU A 45 2.812 -3.454 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.624 -1.316 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.333 -2.019 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.029 -2.136 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.155 -2.772 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.618 -3.641 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.988 -4.542 -2.592 1.00 0.00 H new ATOM 667 N HIS A 46 1.831 -7.349 0.285 1.00 0.00 N ATOM 668 CA HIS A 46 1.578 -8.365 1.302 1.00 0.00 C ATOM 669 C HIS A 46 1.999 -9.741 0.798 1.00 0.00 C ATOM 670 O HIS A 46 2.537 -10.543 1.558 1.00 0.00 O ATOM 671 CB HIS A 46 0.100 -8.385 1.712 1.00 0.00 C ATOM 672 CG HIS A 46 -0.300 -7.262 2.625 1.00 0.00 C ATOM 673 ND1 HIS A 46 -0.787 -6.057 2.171 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.304 -7.175 3.979 1.00 0.00 C ATOM 675 CE1 HIS A 46 -1.075 -5.278 3.197 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.792 -5.931 4.306 1.00 0.00 N ATOM 0 H HIS A 46 0.996 -6.873 -0.055 1.00 0.00 H new ATOM 0 HA HIS A 46 2.172 -8.111 2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.515 -8.345 0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.116 -9.333 2.204 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.907 -5.804 1.190 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.016 -7.940 4.671 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.474 -4.276 3.138 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.915 -5.572 5.253 1.00 0.00 H new ATOM 685 N ASP A 47 1.766 -9.999 -0.488 1.00 0.00 N ATOM 686 CA ASP A 47 2.177 -11.260 -1.109 1.00 0.00 C ATOM 687 C ASP A 47 3.694 -11.394 -1.127 1.00 0.00 C ATOM 688 O ASP A 47 4.231 -12.479 -0.921 1.00 0.00 O ATOM 689 CB ASP A 47 1.650 -11.378 -2.543 1.00 0.00 C ATOM 690 CG ASP A 47 0.209 -11.833 -2.614 1.00 0.00 C ATOM 691 OD1 ASP A 47 -0.115 -12.885 -2.021 1.00 0.00 O ATOM 692 OD2 ASP A 47 -0.604 -11.161 -3.280 1.00 0.00 O ATOM 0 H ASP A 47 1.295 -9.353 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 47 1.749 -12.061 -0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.744 -10.411 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.274 -12.081 -3.095 1.00 0.00 H new ATOM 697 N LEU A 48 4.378 -10.282 -1.374 1.00 0.00 N ATOM 698 CA LEU A 48 5.839 -10.273 -1.427 1.00 0.00 C ATOM 699 C LEU A 48 6.440 -10.572 -0.057 1.00 0.00 C ATOM 700 O LEU A 48 7.565 -11.060 0.047 1.00 0.00 O ATOM 701 CB LEU A 48 6.354 -8.922 -1.927 1.00 0.00 C ATOM 702 CG LEU A 48 5.937 -8.542 -3.347 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.492 -7.176 -3.707 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.404 -9.590 -4.345 1.00 0.00 C ATOM 0 H LEU A 48 3.945 -9.373 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 48 6.147 -11.053 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.006 -8.146 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.443 -8.927 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 48 4.849 -8.498 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.189 -6.916 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.106 -6.432 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.580 -7.198 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.096 -9.299 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.490 -9.670 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.961 -10.554 -4.095 1.00 0.00 H new ATOM 716 N GLY A 49 5.684 -10.282 0.989 1.00 0.00 N ATOM 717 CA GLY A 49 6.165 -10.520 2.333 1.00 0.00 C ATOM 718 C GLY A 49 6.243 -9.247 3.145 1.00 0.00 C ATOM 719 O GLY A 49 6.674 -9.264 4.298 1.00 0.00 O ATOM 0 H GLY A 49 4.746 -9.886 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.505 -11.228 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.152 -10.981 2.288 1.00 0.00 H new ATOM 723 N VAL A 50 5.834 -8.139 2.540 1.00 0.00 N ATOM 724 CA VAL A 50 5.811 -6.856 3.226 1.00 0.00 C ATOM 725 C VAL A 50 4.378 -6.488 3.594 1.00 0.00 C ATOM 726 O VAL A 50 3.626 -5.955 2.772 1.00 0.00 O ATOM 727 CB VAL A 50 6.424 -5.730 2.362 1.00 0.00 C ATOM 728 CG1 VAL A 50 6.464 -4.417 3.131 1.00 0.00 C ATOM 729 CG2 VAL A 50 7.820 -6.114 1.889 1.00 0.00 C ATOM 0 H VAL A 50 5.513 -8.105 1.572 1.00 0.00 H new ATOM 0 HA VAL A 50 6.414 -6.957 4.128 1.00 0.00 H new ATOM 0 HB VAL A 50 5.789 -5.593 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.899 -3.640 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.451 -4.130 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.070 -4.539 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.233 -5.308 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.463 -6.285 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.764 -7.025 1.293 1.00 0.00 H new ATOM 739 N PRO A 51 3.962 -6.790 4.828 1.00 0.00 N ATOM 740 CA PRO A 51 2.609 -6.540 5.269 1.00 0.00 C ATOM 741 C PRO A 51 2.420 -5.134 5.822 1.00 0.00 C ATOM 742 O PRO A 51 2.703 -4.867 6.988 1.00 0.00 O ATOM 743 CB PRO A 51 2.405 -7.598 6.349 1.00 0.00 C ATOM 744 CG PRO A 51 3.761 -7.834 6.929 1.00 0.00 C ATOM 745 CD PRO A 51 4.775 -7.393 5.896 1.00 0.00 C ATOM 0 HA PRO A 51 1.887 -6.600 4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.706 -7.253 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.992 -8.515 5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.886 -7.272 7.855 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.896 -8.887 7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.482 -6.675 6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.358 -8.236 5.525 1.00 0.00 H new ATOM 753 N VAL A 52 1.979 -4.228 4.958 1.00 0.00 N ATOM 754 CA VAL A 52 1.603 -2.890 5.384 1.00 0.00 C ATOM 755 C VAL A 52 0.425 -2.975 6.347 1.00 0.00 C ATOM 756 O VAL A 52 -0.647 -3.464 5.983 1.00 0.00 O ATOM 757 CB VAL A 52 1.222 -1.995 4.184 1.00 0.00 C ATOM 758 CG1 VAL A 52 0.907 -0.579 4.643 1.00 0.00 C ATOM 759 CG2 VAL A 52 2.333 -1.993 3.142 1.00 0.00 C ATOM 0 H VAL A 52 1.874 -4.398 3.958 1.00 0.00 H new ATOM 0 HA VAL A 52 2.464 -2.441 5.879 1.00 0.00 H new ATOM 0 HB VAL A 52 0.324 -2.407 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.642 0.032 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.072 -0.601 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.782 -0.153 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.045 -1.357 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.251 -1.611 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.499 -3.009 2.785 1.00 0.00 H new ATOM 769 N SER A 53 0.646 -2.539 7.574 1.00 0.00 N ATOM 770 CA SER A 53 -0.375 -2.596 8.605 1.00 0.00 C ATOM 771 C SER A 53 -1.054 -1.233 8.762 1.00 0.00 C ATOM 772 O SER A 53 -0.516 -0.217 8.313 1.00 0.00 O ATOM 773 CB SER A 53 0.268 -3.040 9.919 1.00 0.00 C ATOM 774 OG SER A 53 1.074 -4.191 9.718 1.00 0.00 O ATOM 0 H SER A 53 1.532 -2.138 7.883 1.00 0.00 H new ATOM 0 HA SER A 53 -1.142 -3.317 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.875 -2.231 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.507 -3.256 10.654 1.00 0.00 H new ATOM 0 HG SER A 53 1.479 -4.460 10.569 1.00 0.00 H new ATOM 780 N PRO A 54 -2.246 -1.196 9.391 1.00 0.00 N ATOM 781 CA PRO A 54 -3.019 0.042 9.580 1.00 0.00 C ATOM 782 C PRO A 54 -2.207 1.157 10.236 1.00 0.00 C ATOM 783 O PRO A 54 -2.359 2.327 9.887 1.00 0.00 O ATOM 784 CB PRO A 54 -4.164 -0.387 10.498 1.00 0.00 C ATOM 785 CG PRO A 54 -4.323 -1.845 10.247 1.00 0.00 C ATOM 786 CD PRO A 54 -2.947 -2.368 9.957 1.00 0.00 C ATOM 0 HA PRO A 54 -3.345 0.457 8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.929 -0.188 11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.080 0.157 10.269 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.756 -2.345 11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.994 -2.025 9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.457 -2.731 10.860 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.974 -3.199 9.252 1.00 0.00 H new ATOM 794 N GLU A 55 -1.344 0.786 11.180 1.00 0.00 N ATOM 795 CA GLU A 55 -0.505 1.741 11.889 1.00 0.00 C ATOM 796 C GLU A 55 0.345 2.553 10.917 1.00 0.00 C ATOM 797 O GLU A 55 0.487 3.767 11.064 1.00 0.00 O ATOM 798 CB GLU A 55 0.406 1.016 12.881 1.00 0.00 C ATOM 799 CG GLU A 55 -0.310 0.456 14.102 1.00 0.00 C ATOM 800 CD GLU A 55 -1.316 -0.624 13.763 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.951 -1.580 13.044 1.00 0.00 O ATOM 802 OE2 GLU A 55 -2.478 -0.512 14.200 1.00 0.00 O ATOM 0 H GLU A 55 -1.209 -0.182 11.472 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.162 2.422 12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.908 0.199 12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.181 1.706 13.215 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.429 0.051 14.794 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.820 1.268 14.620 1.00 0.00 H new ATOM 809 N VAL A 56 0.896 1.872 9.921 1.00 0.00 N ATOM 810 CA VAL A 56 1.723 2.521 8.914 1.00 0.00 C ATOM 811 C VAL A 56 0.897 3.525 8.117 1.00 0.00 C ATOM 812 O VAL A 56 1.350 4.633 7.829 1.00 0.00 O ATOM 813 CB VAL A 56 2.346 1.489 7.948 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.270 2.171 6.951 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.095 0.413 8.722 1.00 0.00 C ATOM 0 H VAL A 56 0.784 0.867 9.789 1.00 0.00 H new ATOM 0 HA VAL A 56 2.528 3.040 9.434 1.00 0.00 H new ATOM 0 HB VAL A 56 1.538 1.013 7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.697 1.425 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.704 2.899 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.072 2.679 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.526 -0.304 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.891 0.873 9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.405 -0.102 9.390 1.00 0.00 H new ATOM 825 N VAL A 57 -0.326 3.134 7.789 1.00 0.00 N ATOM 826 CA VAL A 57 -1.227 3.982 7.024 1.00 0.00 C ATOM 827 C VAL A 57 -1.616 5.225 7.823 1.00 0.00 C ATOM 828 O VAL A 57 -1.514 6.349 7.328 1.00 0.00 O ATOM 829 CB VAL A 57 -2.507 3.217 6.619 1.00 0.00 C ATOM 830 CG1 VAL A 57 -3.427 4.106 5.797 1.00 0.00 C ATOM 831 CG2 VAL A 57 -2.156 1.948 5.854 1.00 0.00 C ATOM 0 H VAL A 57 -0.719 2.228 8.043 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.695 4.285 6.122 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.035 2.930 7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.322 3.548 5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.710 4.979 6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.909 4.429 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.071 1.424 5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.601 2.208 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.544 1.302 6.483 1.00 0.00 H new ATOM 841 N VAL A 58 -2.045 5.016 9.065 1.00 0.00 N ATOM 842 CA VAL A 58 -2.483 6.112 9.922 1.00 0.00 C ATOM 843 C VAL A 58 -1.337 7.080 10.203 1.00 0.00 C ATOM 844 O VAL A 58 -1.494 8.294 10.071 1.00 0.00 O ATOM 845 CB VAL A 58 -3.060 5.594 11.260 1.00 0.00 C ATOM 846 CG1 VAL A 58 -3.525 6.751 12.134 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.206 4.627 11.008 1.00 0.00 C ATOM 0 H VAL A 58 -2.098 4.095 9.500 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.272 6.638 9.385 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.267 5.064 11.788 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.927 6.362 13.069 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.682 7.408 12.347 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.300 7.313 11.612 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.599 4.273 11.961 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.996 5.135 10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.845 3.779 10.427 1.00 0.00 H new ATOM 857 N ALA A 59 -0.183 6.538 10.576 1.00 0.00 N ATOM 858 CA ALA A 59 0.984 7.360 10.872 1.00 0.00 C ATOM 859 C ALA A 59 1.389 8.191 9.659 1.00 0.00 C ATOM 860 O ALA A 59 1.662 9.388 9.775 1.00 0.00 O ATOM 861 CB ALA A 59 2.144 6.496 11.338 1.00 0.00 C ATOM 0 H ALA A 59 -0.031 5.535 10.680 1.00 0.00 H new ATOM 0 HA ALA A 59 0.718 8.044 11.678 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.005 7.129 11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.856 5.955 12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.404 5.783 10.555 1.00 0.00 H new ATOM 867 N ARG A 60 1.409 7.559 8.492 1.00 0.00 N ATOM 868 CA ARG A 60 1.750 8.250 7.257 1.00 0.00 C ATOM 869 C ARG A 60 0.694 9.295 6.906 1.00 0.00 C ATOM 870 O ARG A 60 1.024 10.407 6.491 1.00 0.00 O ATOM 871 CB ARG A 60 1.897 7.253 6.108 1.00 0.00 C ATOM 872 CG ARG A 60 2.091 7.914 4.754 1.00 0.00 C ATOM 873 CD ARG A 60 3.363 8.744 4.695 1.00 0.00 C ATOM 874 NE ARG A 60 4.567 7.927 4.824 1.00 0.00 N ATOM 875 CZ ARG A 60 5.593 7.988 3.977 1.00 0.00 C ATOM 876 NH1 ARG A 60 5.538 8.778 2.911 1.00 0.00 N ATOM 877 NH2 ARG A 60 6.666 7.242 4.200 1.00 0.00 N ATOM 0 H ARG A 60 1.193 6.569 8.376 1.00 0.00 H new ATOM 0 HA ARG A 60 2.702 8.758 7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.746 6.600 6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.010 6.620 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.123 7.148 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.234 8.551 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.395 9.288 3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.345 9.488 5.491 1.00 0.00 H new ATOM 0 HE ARG A 60 4.625 7.274 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.707 9.343 2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.327 8.820 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.700 6.629 5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.457 7.281 3.557 1.00 0.00 H new ATOM 891 N GLY A 61 -0.573 8.934 7.077 1.00 0.00 N ATOM 892 CA GLY A 61 -1.659 9.856 6.801 1.00 0.00 C ATOM 893 C GLY A 61 -1.550 11.127 7.615 1.00 0.00 C ATOM 894 O GLY A 61 -1.858 12.211 7.126 1.00 0.00 O ATOM 0 H GLY A 61 -0.868 8.014 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.661 10.105 5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.610 9.369 7.016 1.00 0.00 H new ATOM 898 N GLU A 62 -1.098 10.991 8.852 1.00 0.00 N ATOM 899 CA GLU A 62 -0.880 12.137 9.720 1.00 0.00 C ATOM 900 C GLU A 62 0.337 12.936 9.262 1.00 0.00 C ATOM 901 O GLU A 62 0.334 14.168 9.301 1.00 0.00 O ATOM 902 CB GLU A 62 -0.694 11.673 11.165 1.00 0.00 C ATOM 903 CG GLU A 62 -1.919 10.987 11.745 1.00 0.00 C ATOM 904 CD GLU A 62 -3.121 11.907 11.811 1.00 0.00 C ATOM 905 OE1 GLU A 62 -3.167 12.762 12.720 1.00 0.00 O ATOM 906 OE2 GLU A 62 -4.026 11.781 10.962 1.00 0.00 O ATOM 0 H GLU A 62 -0.874 10.092 9.279 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.756 12.784 9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.152 10.988 11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.442 12.534 11.785 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.165 10.116 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.688 10.623 12.746 1.00 0.00 H new ATOM 913 N GLN A 63 1.369 12.228 8.816 1.00 0.00 N ATOM 914 CA GLN A 63 2.602 12.856 8.344 1.00 0.00 C ATOM 915 C GLN A 63 2.346 13.719 7.110 1.00 0.00 C ATOM 916 O GLN A 63 2.742 14.886 7.054 1.00 0.00 O ATOM 917 CB GLN A 63 3.646 11.785 8.011 1.00 0.00 C ATOM 918 CG GLN A 63 4.977 12.354 7.537 1.00 0.00 C ATOM 919 CD GLN A 63 5.876 11.301 6.915 1.00 0.00 C ATOM 920 OE1 GLN A 63 6.655 10.646 7.602 1.00 0.00 O ATOM 921 NE2 GLN A 63 5.779 11.140 5.605 1.00 0.00 N ATOM 0 H GLN A 63 1.377 11.209 8.771 1.00 0.00 H new ATOM 0 HA GLN A 63 2.977 13.497 9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.818 11.170 8.895 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.246 11.128 7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.791 13.143 6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.492 12.813 8.381 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.119 11.704 5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.364 10.452 5.131 1.00 0.00 H new ATOM 930 N GLU A 64 1.683 13.135 6.129 1.00 0.00 N ATOM 931 CA GLU A 64 1.452 13.807 4.856 1.00 0.00 C ATOM 932 C GLU A 64 0.185 14.659 4.880 1.00 0.00 C ATOM 933 O GLU A 64 0.043 15.594 4.093 1.00 0.00 O ATOM 934 CB GLU A 64 1.399 12.776 3.731 1.00 0.00 C ATOM 935 CG GLU A 64 2.773 12.282 3.318 1.00 0.00 C ATOM 936 CD GLU A 64 2.718 11.233 2.233 1.00 0.00 C ATOM 937 OE1 GLU A 64 1.735 11.214 1.468 1.00 0.00 O ATOM 938 OE2 GLU A 64 3.668 10.426 2.148 1.00 0.00 O ATOM 0 H GLU A 64 1.293 12.194 6.186 1.00 0.00 H new ATOM 0 HA GLU A 64 2.284 14.488 4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.794 11.927 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.901 13.214 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.368 13.127 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.283 11.870 4.189 1.00 0.00 H new ATOM 945 N GLY A 65 -0.722 14.350 5.792 1.00 0.00 N ATOM 946 CA GLY A 65 -1.938 15.129 5.910 1.00 0.00 C ATOM 947 C GLY A 65 -2.989 14.701 4.910 1.00 0.00 C ATOM 948 O GLY A 65 -3.586 15.537 4.232 1.00 0.00 O ATOM 0 H GLY A 65 -0.640 13.576 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.336 15.027 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.707 16.184 5.763 1.00 0.00 H new ATOM 952 N TRP A 66 -3.203 13.397 4.810 1.00 0.00 N ATOM 953 CA TRP A 66 -4.211 12.856 3.909 1.00 0.00 C ATOM 954 C TRP A 66 -5.603 13.182 4.426 1.00 0.00 C ATOM 955 O TRP A 66 -5.781 13.448 5.616 1.00 0.00 O ATOM 956 CB TRP A 66 -4.092 11.335 3.789 1.00 0.00 C ATOM 957 CG TRP A 66 -2.803 10.835 3.216 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.811 11.561 2.623 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.382 9.469 3.169 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.794 10.728 2.224 1.00 0.00 N ATOM 961 CE2 TRP A 66 -1.123 9.438 2.546 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.949 8.265 3.600 1.00 0.00 C ATOM 963 CZ2 TRP A 66 -0.423 8.253 2.341 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -2.255 7.090 3.394 1.00 0.00 C ATOM 965 CH2 TRP A 66 -1.004 7.091 2.772 1.00 0.00 C ATOM 0 H TRP A 66 -2.692 12.693 5.342 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.049 13.309 2.931 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -4.224 10.898 4.779 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.911 10.971 3.169 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.824 12.632 2.487 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.067 11.023 1.763 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.914 8.255 4.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.544 8.250 1.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.686 6.155 3.719 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.484 6.155 2.628 1.00 0.00 H new ATOM 976 N ASN A 67 -6.587 13.154 3.539 1.00 0.00 N ATOM 977 CA ASN A 67 -7.976 13.261 3.954 1.00 0.00 C ATOM 978 C ASN A 67 -8.352 12.040 4.774 1.00 0.00 C ATOM 979 O ASN A 67 -8.021 10.915 4.394 1.00 0.00 O ATOM 980 CB ASN A 67 -8.921 13.364 2.751 1.00 0.00 C ATOM 981 CG ASN A 67 -9.025 14.772 2.202 1.00 0.00 C ATOM 982 OD1 ASN A 67 -8.062 15.538 2.224 1.00 0.00 O ATOM 983 ND2 ASN A 67 -10.204 15.123 1.707 1.00 0.00 N ATOM 0 H ASN A 67 -6.450 13.059 2.533 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.079 14.169 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.572 12.697 1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.913 13.019 3.044 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.339 16.059 1.325 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.976 14.457 1.708 1.00 0.00 H new ATOM 990 N PRO A 68 -9.044 12.240 5.904 1.00 0.00 N ATOM 991 CA PRO A 68 -9.513 11.139 6.750 1.00 0.00 C ATOM 992 C PRO A 68 -10.307 10.110 5.952 1.00 0.00 C ATOM 993 O PRO A 68 -10.376 8.939 6.324 1.00 0.00 O ATOM 994 CB PRO A 68 -10.401 11.833 7.783 1.00 0.00 C ATOM 995 CG PRO A 68 -9.884 13.227 7.847 1.00 0.00 C ATOM 996 CD PRO A 68 -9.414 13.554 6.456 1.00 0.00 C ATOM 0 HA PRO A 68 -8.691 10.581 7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.449 11.812 7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.338 11.342 8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.663 13.918 8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.068 13.309 8.565 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.199 14.030 5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.565 14.238 6.469 1.00 0.00 H new ATOM 1004 N GLU A 69 -10.884 10.557 4.836 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.593 9.674 3.925 1.00 0.00 C ATOM 1006 C GLU A 69 -10.646 8.603 3.398 1.00 0.00 C ATOM 1007 O GLU A 69 -10.914 7.405 3.498 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.144 10.469 2.740 1.00 0.00 C ATOM 1009 CG GLU A 69 -12.991 11.670 3.119 1.00 0.00 C ATOM 1010 CD GLU A 69 -13.376 12.494 1.910 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -14.333 12.107 1.202 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -12.712 13.521 1.648 1.00 0.00 O ATOM 0 H GLU A 69 -10.871 11.534 4.545 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.416 9.208 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.308 10.810 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.742 9.802 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.893 11.332 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.441 12.294 3.823 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.523 9.054 2.858 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.558 8.169 2.235 1.00 0.00 C ATOM 1021 C PHE A 70 -7.828 7.334 3.276 1.00 0.00 C ATOM 1022 O PHE A 70 -7.648 6.128 3.099 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.562 8.981 1.407 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.606 8.138 0.613 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -7.070 7.300 -0.390 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.246 8.181 0.870 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -6.196 6.524 -1.124 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.366 7.406 0.138 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.841 6.577 -0.860 1.00 0.00 C ATOM 0 H PHE A 70 -9.259 10.039 2.841 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.095 7.487 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.113 9.629 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.993 9.630 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.129 7.254 -0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.869 8.826 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.571 5.877 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.307 7.449 0.346 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.154 5.971 -1.433 1.00 0.00 H new ATOM 1039 N THR A 71 -7.430 7.980 4.365 1.00 0.00 N ATOM 1040 CA THR A 71 -6.726 7.303 5.445 1.00 0.00 C ATOM 1041 C THR A 71 -7.566 6.153 6.004 1.00 0.00 C ATOM 1042 O THR A 71 -7.048 5.065 6.260 1.00 0.00 O ATOM 1043 CB THR A 71 -6.385 8.289 6.581 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.823 9.490 6.033 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.398 7.670 7.560 1.00 0.00 C ATOM 0 H THR A 71 -7.584 8.976 4.523 1.00 0.00 H new ATOM 0 HA THR A 71 -5.800 6.901 5.034 1.00 0.00 H new ATOM 0 HB THR A 71 -7.306 8.524 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.610 10.113 6.759 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.174 8.385 8.351 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.833 6.771 7.996 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.479 7.410 7.035 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.864 6.390 6.161 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.764 5.380 6.700 1.00 0.00 C ATOM 1055 C LYS A 72 -9.953 4.231 5.711 1.00 0.00 C ATOM 1056 O LYS A 72 -9.948 3.065 6.104 1.00 0.00 O ATOM 1057 CB LYS A 72 -11.117 5.998 7.055 1.00 0.00 C ATOM 1058 CG LYS A 72 -12.056 5.031 7.754 1.00 0.00 C ATOM 1059 CD LYS A 72 -13.388 5.682 8.079 1.00 0.00 C ATOM 1060 CE LYS A 72 -14.346 4.687 8.714 1.00 0.00 C ATOM 1061 NZ LYS A 72 -14.582 3.509 7.836 1.00 0.00 N ATOM 0 H LYS A 72 -9.315 7.273 5.922 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.313 4.980 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.955 6.864 7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.593 6.361 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.221 4.160 7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.592 4.672 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.230 6.521 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.830 6.086 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.942 4.353 9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.295 5.180 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.435 3.006 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.712 3.828 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.764 2.869 7.886 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.110 4.561 4.427 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.247 3.546 3.394 1.00 0.00 C ATOM 1077 C LYS A 73 -9.057 2.596 3.418 1.00 0.00 C ATOM 1078 O LYS A 73 -9.218 1.393 3.626 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.357 4.187 2.008 1.00 0.00 C ATOM 1080 CG LYS A 73 -11.670 4.908 1.753 1.00 0.00 C ATOM 1081 CD LYS A 73 -11.690 5.559 0.372 1.00 0.00 C ATOM 1082 CE LYS A 73 -10.606 6.617 0.241 1.00 0.00 C ATOM 1083 NZ LYS A 73 -10.692 7.366 -1.040 1.00 0.00 N ATOM 0 H LYS A 73 -10.145 5.521 4.084 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.160 2.986 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.537 4.895 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.229 3.413 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.496 4.202 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.823 5.669 2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.550 4.796 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.666 6.012 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.684 7.317 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.628 6.141 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.864 7.144 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.559 7.092 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.714 8.387 -0.844 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.868 3.156 3.243 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.648 2.364 3.133 1.00 0.00 C ATOM 1099 C VAL A 74 -6.370 1.581 4.415 1.00 0.00 C ATOM 1100 O VAL A 74 -5.957 0.422 4.365 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.429 3.252 2.796 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.171 2.414 2.632 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.697 4.064 1.538 1.00 0.00 C ATOM 0 H VAL A 74 -7.721 4.163 3.174 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.805 1.657 2.319 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.269 3.939 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.329 3.064 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.967 1.879 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.314 1.697 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.829 4.684 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.886 3.389 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.568 4.701 1.695 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.608 2.211 5.563 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.420 1.540 6.847 1.00 0.00 C ATOM 1115 C ALA A 75 -7.350 0.339 6.963 1.00 0.00 C ATOM 1116 O ALA A 75 -6.969 -0.709 7.485 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.650 2.504 8.005 1.00 0.00 C ATOM 0 H ALA A 75 -6.929 3.177 5.631 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.389 1.189 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.504 1.980 8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.943 3.331 7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.668 2.892 7.959 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.570 0.499 6.462 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.515 -0.597 6.436 1.00 0.00 C ATOM 1125 C GLY A 76 -9.053 -1.717 5.526 1.00 0.00 C ATOM 1126 O GLY A 76 -9.178 -2.893 5.865 1.00 0.00 O ATOM 0 H GLY A 76 -8.921 1.374 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.652 -0.983 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.485 -0.232 6.100 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.502 -1.344 4.375 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.986 -2.318 3.417 1.00 0.00 C ATOM 1132 C TRP A 77 -6.845 -3.112 4.040 1.00 0.00 C ATOM 1133 O TRP A 77 -6.785 -4.335 3.919 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.490 -1.626 2.139 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.513 -0.767 1.459 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.866 -0.789 1.648 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.264 0.239 0.470 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.467 0.155 0.849 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.507 0.790 0.110 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.109 0.728 -0.146 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -9.628 1.805 -0.839 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.232 1.735 -1.085 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.482 2.262 -1.425 1.00 0.00 C ATOM 0 H TRP A 77 -8.401 -0.372 4.082 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.800 -2.993 3.153 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.625 -1.011 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.150 -2.388 1.437 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.387 -1.450 2.325 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.467 0.350 0.813 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.139 0.327 0.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -10.592 2.215 -1.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.346 2.122 -1.565 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.542 3.046 -2.166 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.948 -2.401 4.718 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.805 -3.027 5.367 1.00 0.00 C ATOM 1156 C ALA A 78 -5.253 -3.999 6.452 1.00 0.00 C ATOM 1157 O ALA A 78 -4.687 -5.081 6.594 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.877 -1.972 5.951 1.00 0.00 C ATOM 0 H ALA A 78 -5.993 -1.388 4.831 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.259 -3.592 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.029 -2.459 6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.518 -1.322 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.419 -1.378 6.687 1.00 0.00 H new ATOM 1164 N GLU A 79 -6.276 -3.609 7.208 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.827 -4.450 8.270 1.00 0.00 C ATOM 1166 C GLU A 79 -7.313 -5.785 7.728 1.00 0.00 C ATOM 1167 O GLU A 79 -7.041 -6.836 8.308 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.980 -3.734 8.968 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.629 -3.218 10.350 1.00 0.00 C ATOM 1170 CD GLU A 79 -7.354 -4.334 11.339 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -6.238 -4.895 11.320 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -8.252 -4.650 12.149 1.00 0.00 O ATOM 0 H GLU A 79 -6.744 -2.709 7.104 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.027 -4.640 8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.305 -2.898 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.825 -4.418 9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.752 -2.575 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.448 -2.602 10.722 1.00 0.00 H new ATOM 1179 N LYS A 80 -8.038 -5.738 6.622 1.00 0.00 N ATOM 1180 CA LYS A 80 -8.568 -6.950 6.014 1.00 0.00 C ATOM 1181 C LYS A 80 -7.440 -7.883 5.590 1.00 0.00 C ATOM 1182 O LYS A 80 -7.418 -9.055 5.968 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.448 -6.612 4.810 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.585 -5.658 5.135 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.478 -5.414 3.928 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.378 -6.606 3.643 1.00 0.00 C ATOM 1187 NZ LYS A 80 -13.324 -6.869 4.762 1.00 0.00 N ATOM 0 H LYS A 80 -8.273 -4.877 6.128 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.177 -7.459 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.828 -6.172 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.864 -7.534 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.181 -6.067 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.176 -4.709 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.090 -4.529 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.860 -5.208 3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.941 -6.425 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.765 -7.491 3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.122 -7.439 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.832 -7.386 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.681 -5.966 5.135 1.00 0.00 H new ATOM 1201 N VAL A 81 -6.485 -7.350 4.839 1.00 0.00 N ATOM 1202 CA VAL A 81 -5.399 -8.159 4.300 1.00 0.00 C ATOM 1203 C VAL A 81 -4.476 -8.660 5.410 1.00 0.00 C ATOM 1204 O VAL A 81 -3.966 -9.776 5.346 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.570 -7.383 3.254 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -3.592 -8.310 2.553 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.478 -6.712 2.239 1.00 0.00 C ATOM 0 H VAL A 81 -6.440 -6.362 4.589 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.863 -9.014 3.809 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.004 -6.610 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.017 -7.745 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.915 -8.747 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.142 -9.105 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.873 -6.171 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.072 -7.468 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.142 -6.014 2.750 1.00 0.00 H new ATOM 1217 N ALA A 82 -4.271 -7.838 6.435 1.00 0.00 N ATOM 1218 CA ALA A 82 -3.418 -8.218 7.558 1.00 0.00 C ATOM 1219 C ALA A 82 -4.072 -9.315 8.389 1.00 0.00 C ATOM 1220 O ALA A 82 -3.392 -10.184 8.933 1.00 0.00 O ATOM 1221 CB ALA A 82 -3.104 -7.010 8.429 1.00 0.00 C ATOM 0 H ALA A 82 -4.682 -6.908 6.512 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.483 -8.605 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.468 -7.316 9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.587 -6.257 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.032 -6.591 8.818 1.00 0.00 H new ATOM 1227 N SER A 83 -5.395 -9.273 8.476 1.00 0.00 N ATOM 1228 CA SER A 83 -6.143 -10.290 9.195 1.00 0.00 C ATOM 1229 C SER A 83 -6.289 -11.548 8.339 1.00 0.00 C ATOM 1230 O SER A 83 -6.665 -12.609 8.835 1.00 0.00 O ATOM 1231 CB SER A 83 -7.516 -9.745 9.592 1.00 0.00 C ATOM 1232 OG SER A 83 -8.250 -10.690 10.355 1.00 0.00 O ATOM 0 H SER A 83 -5.971 -8.543 8.056 1.00 0.00 H new ATOM 0 HA SER A 83 -5.598 -10.556 10.101 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.392 -8.828 10.168 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.078 -9.484 8.695 1.00 0.00 H new ATOM 0 HG SER A 83 -7.951 -11.596 10.129 1.00 0.00 H new ATOM 1238 N GLY A 84 -6.001 -11.418 7.051 1.00 0.00 N ATOM 1239 CA GLY A 84 -6.011 -12.567 6.165 1.00 0.00 C ATOM 1240 C GLY A 84 -7.326 -12.733 5.432 1.00 0.00 C ATOM 1241 O GLY A 84 -7.698 -13.846 5.056 1.00 0.00 O ATOM 0 H GLY A 84 -5.760 -10.535 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.205 -12.466 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.807 -13.468 6.744 1.00 0.00 H new ATOM 1245 N ASN A 85 -8.034 -11.634 5.229 1.00 0.00 N ATOM 1246 CA ASN A 85 -9.291 -11.664 4.498 1.00 0.00 C ATOM 1247 C ASN A 85 -9.125 -10.956 3.167 1.00 0.00 C ATOM 1248 O ASN A 85 -8.529 -9.880 3.098 1.00 0.00 O ATOM 1249 CB ASN A 85 -10.422 -10.995 5.287 1.00 0.00 C ATOM 1250 CG ASN A 85 -10.598 -11.576 6.678 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -11.256 -12.600 6.858 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -10.038 -10.910 7.677 1.00 0.00 N ATOM 0 H ASN A 85 -7.760 -10.709 5.560 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.558 -12.709 4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.219 -9.927 5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.355 -11.101 4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.145 -11.243 8.635 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.500 -10.065 7.488 1.00 0.00 H new ATOM 1259 N ARG A 86 -9.643 -11.570 2.115 1.00 0.00 N ATOM 1260 CA ARG A 86 -9.566 -10.995 0.784 1.00 0.00 C ATOM 1261 C ARG A 86 -10.304 -9.665 0.731 1.00 0.00 C ATOM 1262 O ARG A 86 -11.319 -9.471 1.409 1.00 0.00 O ATOM 1263 CB ARG A 86 -10.153 -11.964 -0.243 1.00 0.00 C ATOM 1264 CG ARG A 86 -11.644 -12.198 -0.074 1.00 0.00 C ATOM 1265 CD ARG A 86 -12.101 -13.400 -0.876 1.00 0.00 C ATOM 1266 NE ARG A 86 -11.489 -14.630 -0.381 1.00 0.00 N ATOM 1267 CZ ARG A 86 -11.465 -15.780 -1.052 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -12.009 -15.867 -2.262 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -10.887 -16.844 -0.506 1.00 0.00 N ATOM 0 H ARG A 86 -10.122 -12.469 2.159 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.517 -10.818 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.966 -11.577 -1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.633 -12.919 -0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.874 -12.351 0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.193 -11.313 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.186 -13.484 -0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.843 -13.259 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.051 -14.607 0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.449 -15.049 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.986 -16.752 -2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.466 -16.776 0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.864 -17.729 -1.013 1.00 0.00 H new ATOM 1283 N ILE A 87 -9.788 -8.752 -0.070 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.402 -7.449 -0.228 1.00 0.00 C ATOM 1285 C ILE A 87 -11.146 -7.378 -1.547 1.00 0.00 C ATOM 1286 O ILE A 87 -10.616 -7.747 -2.596 1.00 0.00 O ATOM 1287 CB ILE A 87 -9.367 -6.304 -0.149 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.244 -6.518 -1.170 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -8.802 -6.206 1.261 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.144 -5.480 -1.098 1.00 0.00 C ATOM 0 H ILE A 87 -8.942 -8.890 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.102 -7.319 0.597 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.866 -5.365 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.809 -7.505 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.672 -6.511 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.074 -5.396 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.611 -6.006 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.316 -7.146 1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.387 -5.699 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.564 -4.491 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.688 -5.501 -0.108 1.00 0.00 H new ATOM 1302 N LEU A 88 -12.388 -6.938 -1.479 1.00 0.00 N ATOM 1303 CA LEU A 88 -13.215 -6.814 -2.666 1.00 0.00 C ATOM 1304 C LEU A 88 -12.686 -5.706 -3.572 1.00 0.00 C ATOM 1305 O LEU A 88 -12.641 -4.533 -3.192 1.00 0.00 O ATOM 1306 CB LEU A 88 -14.694 -6.562 -2.307 1.00 0.00 C ATOM 1307 CG LEU A 88 -15.043 -5.198 -1.686 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -16.543 -4.968 -1.748 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -14.561 -5.101 -0.244 1.00 0.00 C ATOM 0 H LEU A 88 -12.848 -6.660 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 88 -13.165 -7.761 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.287 -6.682 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -15.011 -7.340 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.532 -4.427 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.781 -4.000 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.871 -4.983 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -17.055 -5.755 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.824 -4.125 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.034 -5.882 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.479 -5.227 -0.213 1.00 0.00 H new ATOM 1321 N ILE A 89 -12.241 -6.098 -4.752 1.00 0.00 N ATOM 1322 CA ILE A 89 -11.806 -5.152 -5.763 1.00 0.00 C ATOM 1323 C ILE A 89 -12.637 -5.356 -7.015 1.00 0.00 C ATOM 1324 O ILE A 89 -12.902 -6.496 -7.401 1.00 0.00 O ATOM 1325 CB ILE A 89 -10.312 -5.327 -6.133 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -9.442 -5.425 -4.881 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -9.838 -4.165 -6.998 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -7.981 -5.679 -5.185 1.00 0.00 C ATOM 0 H ILE A 89 -12.171 -7.075 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.936 -4.150 -5.353 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.216 -6.256 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.532 -4.500 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.819 -6.228 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.786 -4.304 -7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.428 -4.129 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.960 -3.230 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.420 -5.737 -4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.880 -6.619 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.589 -4.864 -5.794 1.00 0.00 H new ATOM 1340 N LYS A 90 -13.061 -4.261 -7.636 1.00 0.00 N ATOM 1341 CA LYS A 90 -13.792 -4.337 -8.895 1.00 0.00 C ATOM 1342 C LYS A 90 -12.930 -5.034 -9.929 1.00 0.00 C ATOM 1343 O LYS A 90 -13.429 -5.833 -10.715 1.00 0.00 O ATOM 1344 CB LYS A 90 -14.191 -2.941 -9.378 1.00 0.00 C ATOM 1345 CG LYS A 90 -15.036 -2.182 -8.374 1.00 0.00 C ATOM 1346 CD LYS A 90 -16.226 -3.013 -7.933 1.00 0.00 C ATOM 1347 CE LYS A 90 -16.997 -2.340 -6.806 1.00 0.00 C ATOM 1348 NZ LYS A 90 -17.567 -1.027 -7.214 1.00 0.00 N ATOM 0 H LYS A 90 -12.912 -3.313 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.708 -4.908 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.290 -2.367 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.743 -3.031 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.430 -1.918 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.383 -1.248 -8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.890 -3.176 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.883 -3.994 -7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.803 -2.997 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.335 -2.196 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.139 -0.640 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.794 -0.368 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.167 -1.155 -8.054 1.00 0.00 H new ATOM 1362 N ASN A 91 -11.639 -4.672 -9.904 1.00 0.00 N ATOM 1363 CA ASN A 91 -10.538 -5.371 -10.591 1.00 0.00 C ATOM 1364 C ASN A 91 -9.418 -4.382 -10.875 1.00 0.00 C ATOM 1365 O ASN A 91 -9.663 -3.318 -11.443 1.00 0.00 O ATOM 1366 CB ASN A 91 -10.946 -6.061 -11.902 1.00 0.00 C ATOM 1367 CG ASN A 91 -11.167 -7.559 -11.719 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -11.740 -7.951 -10.587 1.00 0.00 O flip ATOM 1369 ND2 ASN A 91 -10.850 -8.357 -12.600 1.00 0.00 N flip ATOM 0 H ASN A 91 -11.319 -3.854 -9.386 1.00 0.00 H new ATOM 0 HA ASN A 91 -10.214 -6.164 -9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.860 -5.604 -12.282 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.172 -5.898 -12.652 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.411 -8.022 -13.458 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.026 -9.354 -12.473 1.00 0.00 H new ATOM 1376 N PRO A 92 -8.180 -4.696 -10.447 1.00 0.00 N ATOM 1377 CA PRO A 92 -7.015 -3.854 -10.734 1.00 0.00 C ATOM 1378 C PRO A 92 -6.840 -3.660 -12.234 1.00 0.00 C ATOM 1379 O PRO A 92 -6.937 -2.538 -12.732 1.00 0.00 O ATOM 1380 CB PRO A 92 -5.838 -4.645 -10.145 1.00 0.00 C ATOM 1381 CG PRO A 92 -6.452 -5.540 -9.126 1.00 0.00 C ATOM 1382 CD PRO A 92 -7.819 -5.881 -9.650 1.00 0.00 C ATOM 0 HA PRO A 92 -7.105 -2.853 -10.312 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.322 -5.218 -10.915 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.101 -3.980 -9.695 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.853 -6.439 -8.983 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.517 -5.043 -8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.803 -6.785 -10.258 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.529 -6.053 -8.841 1.00 0.00 H new ATOM 1390 N GLU A 93 -6.592 -4.774 -12.932 1.00 0.00 N ATOM 1391 CA GLU A 93 -6.559 -4.822 -14.397 1.00 0.00 C ATOM 1392 C GLU A 93 -5.370 -4.055 -14.983 1.00 0.00 C ATOM 1393 O GLU A 93 -4.517 -4.634 -15.656 1.00 0.00 O ATOM 1394 CB GLU A 93 -7.883 -4.311 -14.975 1.00 0.00 C ATOM 1395 CG GLU A 93 -7.990 -4.454 -16.482 1.00 0.00 C ATOM 1396 CD GLU A 93 -9.399 -4.243 -16.988 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -9.798 -3.079 -17.183 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -10.117 -5.243 -17.197 1.00 0.00 O ATOM 0 H GLU A 93 -6.407 -5.675 -12.491 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.427 -5.865 -14.685 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.705 -4.853 -14.509 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.003 -3.261 -14.710 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.325 -3.734 -16.960 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.648 -5.447 -16.774 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.306 -2.760 -14.713 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.259 -1.904 -15.256 1.00 0.00 C ATOM 1407 C TYR A 94 -3.006 -1.957 -14.389 1.00 0.00 C ATOM 1408 O TYR A 94 -2.048 -1.218 -14.619 1.00 0.00 O ATOM 1409 CB TYR A 94 -4.765 -0.466 -15.380 1.00 0.00 C ATOM 1410 CG TYR A 94 -5.923 -0.316 -16.341 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -7.231 -0.527 -15.924 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -5.709 0.035 -17.667 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -8.291 -0.390 -16.799 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -6.763 0.175 -18.549 1.00 0.00 C ATOM 1415 CZ TYR A 94 -8.051 -0.040 -18.110 1.00 0.00 C ATOM 1416 OH TYR A 94 -9.105 0.097 -18.984 1.00 0.00 O ATOM 0 H TYR A 94 -5.974 -2.274 -14.115 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.997 -2.271 -16.248 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.071 -0.111 -14.396 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.945 0.172 -15.709 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.423 -0.803 -14.898 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.700 0.202 -18.015 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.302 -0.556 -16.458 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.578 0.451 -19.577 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.766 0.348 -19.868 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.012 -2.845 -13.405 1.00 0.00 N ATOM 1427 CA PHE A 95 -1.843 -3.073 -12.571 1.00 0.00 C ATOM 1428 C PHE A 95 -0.815 -3.837 -13.396 1.00 0.00 C ATOM 1429 O PHE A 95 -0.863 -5.063 -13.493 1.00 0.00 O ATOM 1430 CB PHE A 95 -2.229 -3.847 -11.309 1.00 0.00 C ATOM 1431 CG PHE A 95 -1.137 -3.940 -10.283 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -0.650 -2.800 -9.665 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -0.608 -5.169 -9.924 1.00 0.00 C ATOM 1434 CE1 PHE A 95 0.345 -2.883 -8.712 1.00 0.00 C ATOM 1435 CE2 PHE A 95 0.388 -5.259 -8.970 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.866 -4.113 -8.363 1.00 0.00 C ATOM 0 H PHE A 95 -3.818 -3.422 -13.165 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.417 -2.123 -12.247 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.098 -3.370 -10.856 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.531 -4.855 -11.593 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.054 -1.835 -9.932 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.978 -6.067 -10.395 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.716 -1.986 -8.239 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.792 -6.223 -8.699 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.645 -4.179 -7.618 1.00 0.00 H new ATOM 1446 N SER A 96 0.083 -3.094 -14.022 1.00 0.00 N ATOM 1447 CA SER A 96 0.930 -3.637 -15.068 1.00 0.00 C ATOM 1448 C SER A 96 2.388 -3.722 -14.661 1.00 0.00 C ATOM 1449 O SER A 96 2.755 -3.504 -13.500 1.00 0.00 O ATOM 1450 CB SER A 96 0.781 -2.783 -16.327 1.00 0.00 C ATOM 1451 OG SER A 96 -0.586 -2.647 -16.687 1.00 0.00 O ATOM 0 H SER A 96 0.244 -2.107 -13.821 1.00 0.00 H new ATOM 0 HA SER A 96 0.603 -4.659 -15.261 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.216 -1.798 -16.157 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.334 -3.239 -17.148 1.00 0.00 H new ATOM 0 HG SER A 96 -1.043 -2.084 -16.028 1.00 0.00 H new ATOM 1457 N THR A 97 3.197 -4.028 -15.660 1.00 0.00 N ATOM 1458 CA THR A 97 4.585 -4.380 -15.497 1.00 0.00 C ATOM 1459 C THR A 97 5.373 -3.395 -14.647 1.00 0.00 C ATOM 1460 O THR A 97 5.988 -3.785 -13.660 1.00 0.00 O ATOM 1461 CB THR A 97 5.241 -4.472 -16.872 1.00 0.00 C ATOM 1462 OG1 THR A 97 4.261 -4.855 -17.851 1.00 0.00 O ATOM 1463 CG2 THR A 97 6.342 -5.493 -16.828 1.00 0.00 C ATOM 0 H THR A 97 2.891 -4.037 -16.633 1.00 0.00 H new ATOM 0 HA THR A 97 4.603 -5.336 -14.974 1.00 0.00 H new ATOM 0 HB THR A 97 5.656 -3.502 -17.145 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.684 -4.912 -18.733 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.814 -5.562 -17.808 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.085 -5.195 -16.088 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.927 -6.464 -16.556 1.00 0.00 H new ATOM 1471 N TYR A 98 5.338 -2.127 -15.029 1.00 0.00 N ATOM 1472 CA TYR A 98 6.208 -1.125 -14.433 1.00 0.00 C ATOM 1473 C TYR A 98 6.042 -1.060 -12.919 1.00 0.00 C ATOM 1474 O TYR A 98 7.023 -0.944 -12.190 1.00 0.00 O ATOM 1475 CB TYR A 98 5.942 0.242 -15.054 1.00 0.00 C ATOM 1476 CG TYR A 98 6.996 1.263 -14.708 1.00 0.00 C ATOM 1477 CD1 TYR A 98 8.267 1.173 -15.256 1.00 0.00 C ATOM 1478 CD2 TYR A 98 6.724 2.309 -13.840 1.00 0.00 C ATOM 1479 CE1 TYR A 98 9.243 2.103 -14.945 1.00 0.00 C ATOM 1480 CE2 TYR A 98 7.691 3.242 -13.524 1.00 0.00 C ATOM 1481 CZ TYR A 98 8.948 3.138 -14.078 1.00 0.00 C ATOM 1482 OH TYR A 98 9.913 4.065 -13.756 1.00 0.00 O ATOM 0 H TYR A 98 4.714 -1.767 -15.751 1.00 0.00 H new ATOM 0 HA TYR A 98 7.238 -1.417 -14.639 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.887 0.138 -16.138 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.970 0.604 -14.719 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.498 0.366 -15.935 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.740 2.395 -13.404 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.229 2.021 -15.377 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.463 4.050 -12.845 1.00 0.00 H new ATOM 0 HH TYR A 98 10.443 3.736 -13.000 1.00 0.00 H new ATOM 1492 N MET A 99 4.806 -1.161 -12.452 1.00 0.00 N ATOM 1493 CA MET A 99 4.527 -1.121 -11.021 1.00 0.00 C ATOM 1494 C MET A 99 5.114 -2.345 -10.321 1.00 0.00 C ATOM 1495 O MET A 99 5.852 -2.220 -9.341 1.00 0.00 O ATOM 1496 CB MET A 99 3.018 -1.044 -10.780 1.00 0.00 C ATOM 1497 CG MET A 99 2.381 0.234 -11.298 1.00 0.00 C ATOM 1498 SD MET A 99 0.581 0.206 -11.190 1.00 0.00 S ATOM 1499 CE MET A 99 0.184 1.860 -11.753 1.00 0.00 C ATOM 0 H MET A 99 3.980 -1.271 -13.041 1.00 0.00 H new ATOM 0 HA MET A 99 4.997 -0.231 -10.603 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.539 -1.898 -11.258 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.825 -1.128 -9.710 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.762 1.082 -10.729 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.677 0.388 -12.336 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.897 1.998 -11.743 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.649 2.591 -11.092 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.558 1.999 -12.767 1.00 0.00 H new ATOM 1509 N GLN A 100 4.804 -3.523 -10.851 1.00 0.00 N ATOM 1510 CA GLN A 100 5.248 -4.780 -10.258 1.00 0.00 C ATOM 1511 C GLN A 100 6.766 -4.920 -10.337 1.00 0.00 C ATOM 1512 O GLN A 100 7.419 -5.309 -9.366 1.00 0.00 O ATOM 1513 CB GLN A 100 4.593 -5.961 -10.976 1.00 0.00 C ATOM 1514 CG GLN A 100 3.075 -5.915 -10.975 1.00 0.00 C ATOM 1515 CD GLN A 100 2.460 -7.101 -11.690 1.00 0.00 C ATOM 1516 OE1 GLN A 100 2.228 -7.066 -12.896 1.00 0.00 O ATOM 1517 NE2 GLN A 100 2.190 -8.164 -10.948 1.00 0.00 N ATOM 0 H GLN A 100 4.243 -3.634 -11.696 1.00 0.00 H new ATOM 0 HA GLN A 100 4.952 -4.777 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.945 -5.988 -12.007 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.919 -6.887 -10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.716 -5.888 -9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.742 -4.994 -11.453 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.397 -8.155 -9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.775 -8.992 -11.375 1.00 0.00 H new ATOM 1526 N GLU A 101 7.315 -4.591 -11.500 1.00 0.00 N ATOM 1527 CA GLU A 101 8.738 -4.748 -11.757 1.00 0.00 C ATOM 1528 C GLU A 101 9.555 -3.818 -10.870 1.00 0.00 C ATOM 1529 O GLU A 101 10.543 -4.238 -10.269 1.00 0.00 O ATOM 1530 CB GLU A 101 9.043 -4.467 -13.229 1.00 0.00 C ATOM 1531 CG GLU A 101 10.410 -4.962 -13.672 1.00 0.00 C ATOM 1532 CD GLU A 101 10.530 -6.467 -13.569 1.00 0.00 C ATOM 1533 OE1 GLU A 101 10.059 -7.169 -14.485 1.00 0.00 O ATOM 1534 OE2 GLU A 101 11.084 -6.959 -12.567 1.00 0.00 O ATOM 0 H GLU A 101 6.788 -4.210 -12.286 1.00 0.00 H new ATOM 0 HA GLU A 101 9.014 -5.777 -11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.278 -4.938 -13.846 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.980 -3.393 -13.406 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.591 -4.654 -14.702 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.181 -4.494 -13.059 1.00 0.00 H new ATOM 1541 N GLN A 102 9.125 -2.561 -10.782 1.00 0.00 N ATOM 1542 CA GLN A 102 9.827 -1.558 -9.990 1.00 0.00 C ATOM 1543 C GLN A 102 9.967 -2.017 -8.547 1.00 0.00 C ATOM 1544 O GLN A 102 11.067 -2.060 -7.997 1.00 0.00 O ATOM 1545 CB GLN A 102 9.073 -0.228 -10.022 1.00 0.00 C ATOM 1546 CG GLN A 102 9.890 0.950 -9.517 1.00 0.00 C ATOM 1547 CD GLN A 102 11.044 1.299 -10.438 1.00 0.00 C ATOM 1548 OE1 GLN A 102 10.904 2.123 -11.341 1.00 0.00 O ATOM 1549 NE2 GLN A 102 12.188 0.664 -10.226 1.00 0.00 N ATOM 0 H GLN A 102 8.289 -2.213 -11.253 1.00 0.00 H new ATOM 0 HA GLN A 102 10.818 -1.423 -10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.754 -0.026 -11.045 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.170 -0.318 -9.418 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.240 1.819 -9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.279 0.719 -8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.263 -0.012 -9.466 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.994 0.852 -10.823 1.00 0.00 H new ATOM 1558 N LEU A 103 8.837 -2.371 -7.949 1.00 0.00 N ATOM 1559 CA LEU A 103 8.811 -2.818 -6.561 1.00 0.00 C ATOM 1560 C LEU A 103 9.674 -4.061 -6.369 1.00 0.00 C ATOM 1561 O LEU A 103 10.459 -4.146 -5.423 1.00 0.00 O ATOM 1562 CB LEU A 103 7.373 -3.109 -6.127 1.00 0.00 C ATOM 1563 CG LEU A 103 6.430 -1.905 -6.148 1.00 0.00 C ATOM 1564 CD1 LEU A 103 5.014 -2.330 -5.785 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.923 -0.827 -5.196 1.00 0.00 C ATOM 0 H LEU A 103 7.924 -2.357 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 103 9.218 -2.019 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.964 -3.882 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.391 -3.518 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 103 6.418 -1.494 -7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.357 -1.461 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.660 -3.069 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.010 -2.765 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.240 0.022 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.964 -1.227 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.919 -0.502 -5.498 1.00 0.00 H new ATOM 1577 N LYS A 104 9.542 -5.014 -7.286 1.00 0.00 N ATOM 1578 CA LYS A 104 10.258 -6.279 -7.179 1.00 0.00 C ATOM 1579 C LYS A 104 11.766 -6.076 -7.341 1.00 0.00 C ATOM 1580 O LYS A 104 12.559 -6.757 -6.695 1.00 0.00 O ATOM 1581 CB LYS A 104 9.735 -7.280 -8.216 1.00 0.00 C ATOM 1582 CG LYS A 104 10.292 -8.688 -8.049 1.00 0.00 C ATOM 1583 CD LYS A 104 9.592 -9.701 -8.952 1.00 0.00 C ATOM 1584 CE LYS A 104 10.003 -9.566 -10.415 1.00 0.00 C ATOM 1585 NZ LYS A 104 9.454 -8.341 -11.054 1.00 0.00 N ATOM 0 H LYS A 104 8.947 -4.934 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 104 10.080 -6.684 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.648 -7.320 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.983 -6.918 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.359 -8.683 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.185 -8.997 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.820 -10.709 -8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.513 -9.572 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.091 -9.550 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.662 -10.442 -10.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.965 -8.598 -11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.781 -7.883 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.231 -7.683 -11.268 1.00 0.00 H new ATOM 1599 N GLU A 105 12.150 -5.128 -8.190 1.00 0.00 N ATOM 1600 CA GLU A 105 13.560 -4.826 -8.426 1.00 0.00 C ATOM 1601 C GLU A 105 14.223 -4.281 -7.161 1.00 0.00 C ATOM 1602 O GLU A 105 15.294 -4.745 -6.761 1.00 0.00 O ATOM 1603 CB GLU A 105 13.708 -3.819 -9.573 1.00 0.00 C ATOM 1604 CG GLU A 105 15.125 -3.291 -9.733 1.00 0.00 C ATOM 1605 CD GLU A 105 15.297 -2.393 -10.940 1.00 0.00 C ATOM 1606 OE1 GLU A 105 14.476 -1.471 -11.134 1.00 0.00 O ATOM 1607 OE2 GLU A 105 16.273 -2.593 -11.689 1.00 0.00 O ATOM 0 H GLU A 105 11.502 -4.553 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 105 14.060 -5.754 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.397 -4.292 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.033 -2.981 -9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.403 -2.739 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.812 -4.133 -9.815 1.00 0.00 H new ATOM 1614 N LEU A 106 13.576 -3.305 -6.532 1.00 0.00 N ATOM 1615 CA LEU A 106 14.113 -2.677 -5.328 1.00 0.00 C ATOM 1616 C LEU A 106 14.310 -3.700 -4.213 1.00 0.00 C ATOM 1617 O LEU A 106 15.287 -3.631 -3.461 1.00 0.00 O ATOM 1618 CB LEU A 106 13.195 -1.543 -4.856 1.00 0.00 C ATOM 1619 CG LEU A 106 13.464 -0.162 -5.470 1.00 0.00 C ATOM 1620 CD1 LEU A 106 13.407 -0.213 -6.990 1.00 0.00 C ATOM 1621 CD2 LEU A 106 12.461 0.849 -4.937 1.00 0.00 C ATOM 0 H LEU A 106 12.677 -2.931 -6.836 1.00 0.00 H new ATOM 0 HA LEU A 106 15.087 -2.257 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.164 -1.822 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.280 -1.460 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 106 14.469 0.147 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.602 0.780 -7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.160 -0.909 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.419 -0.546 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.660 1.826 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.451 0.532 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.552 0.915 -3.853 1.00 0.00 H new ATOM 1633 N VAL A 107 13.394 -4.653 -4.116 1.00 0.00 N ATOM 1634 CA VAL A 107 13.506 -5.713 -3.123 1.00 0.00 C ATOM 1635 C VAL A 107 14.576 -6.727 -3.533 1.00 0.00 C ATOM 1636 O VAL A 107 15.340 -7.220 -2.694 1.00 0.00 O ATOM 1637 CB VAL A 107 12.159 -6.438 -2.920 1.00 0.00 C ATOM 1638 CG1 VAL A 107 12.284 -7.549 -1.888 1.00 0.00 C ATOM 1639 CG2 VAL A 107 11.076 -5.451 -2.510 1.00 0.00 C ATOM 0 H VAL A 107 12.567 -4.715 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 107 13.794 -5.247 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 107 11.876 -6.890 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 107 11.320 -8.042 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.023 -8.276 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.599 -7.126 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.134 -5.981 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 107 11.360 -4.966 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.957 -4.697 -3.288 1.00 0.00 H new ATOM 1649 N LEU A 108 14.646 -7.004 -4.832 1.00 0.00 N ATOM 1650 CA LEU A 108 15.561 -8.005 -5.374 1.00 0.00 C ATOM 1651 C LEU A 108 17.017 -7.681 -5.035 1.00 0.00 C ATOM 1652 O LEU A 108 17.746 -8.537 -4.530 1.00 0.00 O ATOM 1653 CB LEU A 108 15.397 -8.099 -6.895 1.00 0.00 C ATOM 1654 CG LEU A 108 16.211 -9.199 -7.581 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.713 -10.574 -7.160 1.00 0.00 C ATOM 1656 CD2 LEU A 108 16.140 -9.045 -9.091 1.00 0.00 C ATOM 0 H LEU A 108 14.072 -6.542 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 108 15.311 -8.962 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.342 -8.259 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.675 -7.140 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 108 17.252 -9.103 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 108 16.304 -11.343 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.813 -10.682 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.665 -10.683 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.724 -9.834 -9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.102 -9.116 -9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.544 -8.074 -9.377 1.00 0.00 H new ATOM 1668 N GLU A 109 17.423 -6.439 -5.286 1.00 0.00 N ATOM 1669 CA GLU A 109 18.823 -6.040 -5.118 1.00 0.00 C ATOM 1670 C GLU A 109 19.236 -5.975 -3.648 1.00 0.00 C ATOM 1671 O GLU A 109 20.425 -5.899 -3.336 1.00 0.00 O ATOM 1672 CB GLU A 109 19.082 -4.683 -5.773 1.00 0.00 C ATOM 1673 CG GLU A 109 18.257 -3.551 -5.183 1.00 0.00 C ATOM 1674 CD GLU A 109 18.901 -2.197 -5.390 1.00 0.00 C ATOM 1675 OE1 GLU A 109 18.875 -1.687 -6.529 1.00 0.00 O ATOM 1676 OE2 GLU A 109 19.450 -1.648 -4.412 1.00 0.00 O ATOM 0 H GLU A 109 16.807 -5.692 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 109 19.424 -6.807 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 109 20.140 -4.439 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.869 -4.758 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.266 -3.552 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.118 -3.725 -4.116 1.00 0.00 H new ATOM 1683 N HIS A 110 18.266 -6.013 -2.747 1.00 0.00 N ATOM 1684 CA HIS A 110 18.554 -5.868 -1.324 1.00 0.00 C ATOM 1685 C HIS A 110 18.750 -7.218 -0.644 1.00 0.00 C ATOM 1686 O HIS A 110 18.739 -7.311 0.583 1.00 0.00 O ATOM 1687 CB HIS A 110 17.457 -5.064 -0.628 1.00 0.00 C ATOM 1688 CG HIS A 110 17.688 -3.589 -0.695 1.00 0.00 C ATOM 1689 ND1 HIS A 110 17.207 -2.792 -1.711 1.00 0.00 N ATOM 1690 CD2 HIS A 110 18.378 -2.765 0.131 1.00 0.00 C ATOM 1691 CE1 HIS A 110 17.591 -1.546 -1.510 1.00 0.00 C ATOM 1692 NE2 HIS A 110 18.299 -1.500 -0.398 1.00 0.00 N ATOM 0 H HIS A 110 17.279 -6.142 -2.971 1.00 0.00 H new ATOM 0 HA HIS A 110 19.493 -5.321 -1.236 1.00 0.00 H new ATOM 0 HB2 HIS A 110 16.496 -5.298 -1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 110 17.396 -5.370 0.416 1.00 0.00 H new ATOM 0 HD1 HIS A 110 16.642 -3.115 -2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 110 18.894 -3.050 1.036 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.364 -0.705 -2.148 1.00 0.00 H new TER 1701 HIS A 110