USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 768 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 41 LYS NZ :NH3+ -120:sc= -0.661 (180deg=0.235) USER MOD Set 1.2: A 42 ASN : amide:sc= -2.57! C(o=-3.2!,f=-1.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.133 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.63 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.35) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 27:sc= 0.314 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc=-0.00366 (180deg=-0.109) USER MOD Single : A 29 CYS SG : rot -31:sc= 0.248 USER MOD Single : A 32 SER OG : rot -160:sc= -0.0372 USER MOD Single : A 34 ASN : amide:sc= 0.141 K(o=0.14,f=-2.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -16:sc= 0.588 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 49 SER OG : rot 10:sc= 0.729 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.694 K(o=-0.69,f=-4.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.42) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -1.09 (180deg=-2.45) USER MOD Single : A 67 ASN : amide:sc= -2.16 X(o=-2.2,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00909 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 19:sc= 0.0557 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.477 -14.368 21.506 1.00 0.00 N ATOM 2 CA GLY A 1 -27.511 -14.089 20.459 1.00 0.00 C ATOM 3 C GLY A 1 -26.855 -12.732 20.621 1.00 0.00 C ATOM 4 O GLY A 1 -27.517 -11.753 20.966 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.897 -15.307 21.350 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.001 -14.351 22.431 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.226 -13.647 21.489 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.743 -14.863 20.462 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.007 -14.136 19.490 1.00 0.00 H new ATOM 8 N SER A 2 -25.551 -12.674 20.375 1.00 0.00 N ATOM 9 CA SER A 2 -24.804 -11.428 20.501 1.00 0.00 C ATOM 10 C SER A 2 -24.728 -10.702 19.161 1.00 0.00 C ATOM 11 O SER A 2 -24.304 -11.272 18.156 1.00 0.00 O ATOM 12 CB SER A 2 -23.393 -11.705 21.024 1.00 0.00 C ATOM 13 OG SER A 2 -22.752 -12.709 20.256 1.00 0.00 O ATOM 0 H SER A 2 -24.989 -13.475 20.087 1.00 0.00 H new ATOM 0 HA SER A 2 -25.329 -10.789 21.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.804 -10.788 20.994 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.443 -12.017 22.067 1.00 0.00 H new ATOM 0 HG SER A 2 -22.962 -12.579 19.308 1.00 0.00 H new ATOM 19 N SER A 3 -25.144 -9.439 19.155 1.00 0.00 N ATOM 20 CA SER A 3 -25.128 -8.635 17.939 1.00 0.00 C ATOM 21 C SER A 3 -24.691 -7.204 18.240 1.00 0.00 C ATOM 22 O SER A 3 -25.177 -6.580 19.183 1.00 0.00 O ATOM 23 CB SER A 3 -26.511 -8.631 17.286 1.00 0.00 C ATOM 24 OG SER A 3 -26.498 -7.909 16.067 1.00 0.00 O ATOM 0 H SER A 3 -25.496 -8.951 19.979 1.00 0.00 H new ATOM 0 HA SER A 3 -24.410 -9.079 17.249 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.832 -9.656 17.102 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.237 -8.187 17.967 1.00 0.00 H new ATOM 0 HG SER A 3 -27.393 -7.923 15.669 1.00 0.00 H new ATOM 30 N GLY A 4 -23.771 -6.690 17.430 1.00 0.00 N ATOM 31 CA GLY A 4 -23.283 -5.337 17.625 1.00 0.00 C ATOM 32 C GLY A 4 -22.492 -4.829 16.437 1.00 0.00 C ATOM 33 O GLY A 4 -21.800 -5.597 15.769 1.00 0.00 O ATOM 0 H GLY A 4 -23.355 -7.186 16.642 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.128 -4.672 17.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.655 -5.305 18.516 1.00 0.00 H new ATOM 37 N SER A 5 -22.596 -3.530 16.170 1.00 0.00 N ATOM 38 CA SER A 5 -21.888 -2.921 15.050 1.00 0.00 C ATOM 39 C SER A 5 -20.379 -2.984 15.262 1.00 0.00 C ATOM 40 O SER A 5 -19.821 -2.231 16.060 1.00 0.00 O ATOM 41 CB SER A 5 -22.329 -1.467 14.871 1.00 0.00 C ATOM 42 OG SER A 5 -21.946 -0.971 13.600 1.00 0.00 O ATOM 0 H SER A 5 -23.163 -2.880 16.714 1.00 0.00 H new ATOM 0 HA SER A 5 -22.134 -3.482 14.148 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.411 -1.396 14.982 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.887 -0.851 15.654 1.00 0.00 H new ATOM 0 HG SER A 5 -22.241 -0.041 13.509 1.00 0.00 H new ATOM 48 N SER A 6 -19.723 -3.888 14.540 1.00 0.00 N ATOM 49 CA SER A 6 -18.279 -4.053 14.651 1.00 0.00 C ATOM 50 C SER A 6 -17.559 -3.296 13.539 1.00 0.00 C ATOM 51 O SER A 6 -17.945 -3.367 12.373 1.00 0.00 O ATOM 52 CB SER A 6 -17.908 -5.536 14.597 1.00 0.00 C ATOM 53 OG SER A 6 -18.657 -6.284 15.540 1.00 0.00 O ATOM 0 H SER A 6 -20.169 -4.517 13.872 1.00 0.00 H new ATOM 0 HA SER A 6 -17.964 -3.642 15.610 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.089 -5.923 13.594 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.843 -5.655 14.797 1.00 0.00 H new ATOM 0 HG SER A 6 -18.403 -7.229 15.484 1.00 0.00 H new ATOM 59 N GLY A 7 -16.507 -2.571 13.910 1.00 0.00 N ATOM 60 CA GLY A 7 -15.749 -1.811 12.933 1.00 0.00 C ATOM 61 C GLY A 7 -14.331 -2.322 12.775 1.00 0.00 C ATOM 62 O GLY A 7 -13.689 -2.706 13.754 1.00 0.00 O ATOM 0 H GLY A 7 -16.167 -2.497 14.869 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.257 -1.855 11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.723 -0.763 13.233 1.00 0.00 H new ATOM 66 N LEU A 8 -13.840 -2.329 11.541 1.00 0.00 N ATOM 67 CA LEU A 8 -12.488 -2.799 11.257 1.00 0.00 C ATOM 68 C LEU A 8 -11.472 -2.111 12.163 1.00 0.00 C ATOM 69 O LEU A 8 -11.610 -0.931 12.486 1.00 0.00 O ATOM 70 CB LEU A 8 -12.136 -2.544 9.791 1.00 0.00 C ATOM 71 CG LEU A 8 -10.723 -2.940 9.361 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.632 -4.442 9.143 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.319 -2.190 8.100 1.00 0.00 C ATOM 0 H LEU A 8 -14.358 -2.014 10.720 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.454 -3.871 11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.849 -3.084 9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.273 -1.482 9.585 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.032 -2.667 10.159 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.619 -4.705 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.877 -4.960 10.070 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.334 -4.740 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.311 -2.484 7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.014 -2.430 7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.343 -1.117 8.291 1.00 0.00 H new ATOM 85 N LYS A 9 -10.449 -2.855 12.568 1.00 0.00 N ATOM 86 CA LYS A 9 -9.406 -2.318 13.434 1.00 0.00 C ATOM 87 C LYS A 9 -8.042 -2.394 12.754 1.00 0.00 C ATOM 88 O LYS A 9 -7.784 -3.300 11.961 1.00 0.00 O ATOM 89 CB LYS A 9 -9.371 -3.081 14.759 1.00 0.00 C ATOM 90 CG LYS A 9 -10.617 -2.888 15.606 1.00 0.00 C ATOM 91 CD LYS A 9 -10.415 -3.405 17.021 1.00 0.00 C ATOM 92 CE LYS A 9 -10.605 -4.913 17.095 1.00 0.00 C ATOM 93 NZ LYS A 9 -10.874 -5.370 18.486 1.00 0.00 N ATOM 0 H LYS A 9 -10.320 -3.833 12.310 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.636 -1.271 13.632 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.243 -4.144 14.553 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.500 -2.760 15.331 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.876 -1.830 15.638 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.456 -3.408 15.144 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.414 -3.146 17.365 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.120 -2.915 17.693 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.433 -5.207 16.450 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.713 -5.411 16.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.998 -6.403 18.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.073 -5.112 19.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.740 -4.915 18.840 1.00 0.00 H new ATOM 107 N ILE A 10 -7.174 -1.439 13.071 1.00 0.00 N ATOM 108 CA ILE A 10 -5.837 -1.401 12.493 1.00 0.00 C ATOM 109 C ILE A 10 -4.819 -2.058 13.419 1.00 0.00 C ATOM 110 O ILE A 10 -4.323 -1.433 14.359 1.00 0.00 O ATOM 111 CB ILE A 10 -5.391 0.044 12.201 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.482 0.792 11.432 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.086 0.048 11.418 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.485 1.485 12.328 1.00 0.00 C ATOM 0 H ILE A 10 -7.373 -0.682 13.725 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.883 -1.955 11.555 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.225 0.556 13.149 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.015 1.532 10.782 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.008 0.088 10.787 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.784 1.076 11.219 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.311 -0.452 11.999 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.227 -0.478 10.474 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.229 1.995 11.716 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.979 0.747 12.960 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.971 2.213 12.955 1.00 0.00 H new ATOM 126 N LEU A 11 -4.509 -3.321 13.148 1.00 0.00 N ATOM 127 CA LEU A 11 -3.547 -4.063 13.956 1.00 0.00 C ATOM 128 C LEU A 11 -2.119 -3.644 13.623 1.00 0.00 C ATOM 129 O LEU A 11 -1.339 -3.295 14.511 1.00 0.00 O ATOM 130 CB LEU A 11 -3.715 -5.567 13.730 1.00 0.00 C ATOM 131 CG LEU A 11 -5.060 -6.162 14.150 1.00 0.00 C ATOM 132 CD1 LEU A 11 -5.245 -7.544 13.543 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.164 -6.226 15.667 1.00 0.00 C ATOM 0 H LEU A 11 -4.910 -3.853 12.375 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.738 -3.835 15.005 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.563 -5.774 12.671 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.925 -6.086 14.273 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.854 -5.515 13.778 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.207 -7.952 13.853 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.215 -7.471 12.456 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.446 -8.201 13.885 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.127 -6.652 15.948 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.362 -6.851 16.061 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.077 -5.221 16.080 1.00 0.00 H new ATOM 145 N THR A 12 -1.781 -3.679 12.338 1.00 0.00 N ATOM 146 CA THR A 12 -0.447 -3.303 11.887 1.00 0.00 C ATOM 147 C THR A 12 -0.516 -2.381 10.675 1.00 0.00 C ATOM 148 O THR A 12 -0.482 -2.822 9.527 1.00 0.00 O ATOM 149 CB THR A 12 0.396 -4.541 11.529 1.00 0.00 C ATOM 150 OG1 THR A 12 0.264 -5.536 12.550 1.00 0.00 O ATOM 151 CG2 THR A 12 1.861 -4.169 11.362 1.00 0.00 C ATOM 0 H THR A 12 -2.414 -3.964 11.590 1.00 0.00 H new ATOM 0 HA THR A 12 0.029 -2.776 12.714 1.00 0.00 H new ATOM 0 HB THR A 12 0.030 -4.941 10.584 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.802 -6.320 12.314 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.436 -5.060 11.109 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.961 -3.434 10.563 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.237 -3.746 12.293 1.00 0.00 H new ATOM 159 N PRO A 13 -0.614 -1.068 10.934 1.00 0.00 N ATOM 160 CA PRO A 13 -0.688 -0.056 9.876 1.00 0.00 C ATOM 161 C PRO A 13 0.629 0.091 9.122 1.00 0.00 C ATOM 162 O PRO A 13 1.707 -0.048 9.701 1.00 0.00 O ATOM 163 CB PRO A 13 -1.014 1.231 10.639 1.00 0.00 C ATOM 164 CG PRO A 13 -0.490 0.999 12.014 1.00 0.00 C ATOM 165 CD PRO A 13 -0.659 -0.471 12.280 1.00 0.00 C ATOM 0 HA PRO A 13 -1.424 -0.315 9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.541 2.097 10.176 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.087 1.423 10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.558 1.291 12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.038 1.593 12.746 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.135 -0.858 12.918 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.603 -0.683 12.782 1.00 0.00 H new ATOM 173 N LEU A 14 0.535 0.374 7.827 1.00 0.00 N ATOM 174 CA LEU A 14 1.720 0.541 6.993 1.00 0.00 C ATOM 175 C LEU A 14 2.743 1.444 7.674 1.00 0.00 C ATOM 176 O LEU A 14 2.459 2.602 7.982 1.00 0.00 O ATOM 177 CB LEU A 14 1.332 1.127 5.633 1.00 0.00 C ATOM 178 CG LEU A 14 0.256 0.366 4.858 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.535 1.316 3.971 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.882 -0.745 4.027 1.00 0.00 C ATOM 0 H LEU A 14 -0.349 0.493 7.332 1.00 0.00 H new ATOM 0 HA LEU A 14 2.171 -0.440 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.987 2.150 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.228 1.181 5.014 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.430 -0.086 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.296 0.757 3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.014 2.076 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.138 1.797 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.101 -1.276 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.590 -0.315 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.403 -1.441 4.684 1.00 0.00 H new ATOM 192 N THR A 15 3.937 0.906 7.906 1.00 0.00 N ATOM 193 CA THR A 15 5.004 1.663 8.550 1.00 0.00 C ATOM 194 C THR A 15 5.948 2.269 7.518 1.00 0.00 C ATOM 195 O THR A 15 6.339 1.608 6.557 1.00 0.00 O ATOM 196 CB THR A 15 5.816 0.778 9.515 1.00 0.00 C ATOM 197 OG1 THR A 15 6.310 -0.374 8.824 1.00 0.00 O ATOM 198 CG2 THR A 15 4.963 0.341 10.696 1.00 0.00 C ATOM 0 H THR A 15 4.189 -0.051 7.658 1.00 0.00 H new ATOM 0 HA THR A 15 4.527 2.463 9.116 1.00 0.00 H new ATOM 0 HB THR A 15 6.655 1.363 9.891 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.826 -0.931 9.444 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.558 -0.283 11.363 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.613 1.220 11.237 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.106 -0.228 10.335 1.00 0.00 H new ATOM 206 N ASP A 16 6.310 3.531 7.725 1.00 0.00 N ATOM 207 CA ASP A 16 7.210 4.227 6.813 1.00 0.00 C ATOM 208 C ASP A 16 8.288 3.283 6.288 1.00 0.00 C ATOM 209 O ASP A 16 8.887 2.525 7.051 1.00 0.00 O ATOM 210 CB ASP A 16 7.858 5.421 7.514 1.00 0.00 C ATOM 211 CG ASP A 16 8.315 5.089 8.921 1.00 0.00 C ATOM 212 OD1 ASP A 16 8.550 3.895 9.201 1.00 0.00 O ATOM 213 OD2 ASP A 16 8.436 6.022 9.742 1.00 0.00 O ATOM 0 H ASP A 16 5.994 4.092 8.516 1.00 0.00 H new ATOM 0 HA ASP A 16 6.624 4.587 5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.712 5.762 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.147 6.246 7.551 1.00 0.00 H new ATOM 218 N GLN A 17 8.529 3.335 4.982 1.00 0.00 N ATOM 219 CA GLN A 17 9.533 2.484 4.356 1.00 0.00 C ATOM 220 C GLN A 17 10.427 3.293 3.422 1.00 0.00 C ATOM 221 O GLN A 17 9.941 4.046 2.578 1.00 0.00 O ATOM 222 CB GLN A 17 8.860 1.349 3.582 1.00 0.00 C ATOM 223 CG GLN A 17 9.694 0.080 3.514 1.00 0.00 C ATOM 224 CD GLN A 17 10.060 -0.452 4.885 1.00 0.00 C ATOM 225 OE1 GLN A 17 11.235 -0.645 5.196 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.051 -0.692 5.716 1.00 0.00 N ATOM 0 H GLN A 17 8.042 3.958 4.337 1.00 0.00 H new ATOM 0 HA GLN A 17 10.154 2.058 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.902 1.120 4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.647 1.688 2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.142 -0.684 2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.606 0.279 2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.092 -0.518 5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.236 -1.050 6.653 1.00 0.00 H new ATOM 235 N THR A 18 11.737 3.132 3.578 1.00 0.00 N ATOM 236 CA THR A 18 12.699 3.848 2.750 1.00 0.00 C ATOM 237 C THR A 18 13.559 2.881 1.944 1.00 0.00 C ATOM 238 O THR A 18 14.366 2.138 2.502 1.00 0.00 O ATOM 239 CB THR A 18 13.617 4.744 3.602 1.00 0.00 C ATOM 240 OG1 THR A 18 12.832 5.529 4.507 1.00 0.00 O ATOM 241 CG2 THR A 18 14.450 5.662 2.719 1.00 0.00 C ATOM 0 H THR A 18 12.156 2.512 4.271 1.00 0.00 H new ATOM 0 HA THR A 18 12.124 4.474 2.068 1.00 0.00 H new ATOM 0 HB THR A 18 14.291 4.101 4.168 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.423 6.095 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.090 6.285 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.068 5.062 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.789 6.297 2.129 1.00 0.00 H new ATOM 249 N VAL A 19 13.381 2.895 0.626 1.00 0.00 N ATOM 250 CA VAL A 19 14.142 2.020 -0.257 1.00 0.00 C ATOM 251 C VAL A 19 14.775 2.807 -1.399 1.00 0.00 C ATOM 252 O VAL A 19 14.271 3.857 -1.796 1.00 0.00 O ATOM 253 CB VAL A 19 13.254 0.907 -0.846 1.00 0.00 C ATOM 254 CG1 VAL A 19 14.109 -0.234 -1.376 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.267 0.406 0.197 1.00 0.00 C ATOM 0 H VAL A 19 12.716 3.503 0.147 1.00 0.00 H new ATOM 0 HA VAL A 19 14.928 1.567 0.347 1.00 0.00 H new ATOM 0 HB VAL A 19 12.687 1.321 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.465 -1.011 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.771 0.140 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.705 -0.650 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.648 -0.380 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.813 0.008 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.632 1.230 0.523 1.00 0.00 H new ATOM 265 N ASN A 20 15.883 2.293 -1.923 1.00 0.00 N ATOM 266 CA ASN A 20 16.585 2.948 -3.020 1.00 0.00 C ATOM 267 C ASN A 20 15.670 3.117 -4.229 1.00 0.00 C ATOM 268 O ASN A 20 14.534 2.640 -4.233 1.00 0.00 O ATOM 269 CB ASN A 20 17.825 2.142 -3.413 1.00 0.00 C ATOM 270 CG ASN A 20 18.819 2.962 -4.211 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.785 2.975 -5.442 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.712 3.653 -3.512 1.00 0.00 N ATOM 0 H ASN A 20 16.314 1.425 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 20 16.895 3.937 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.310 1.764 -2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.520 1.275 -3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.406 4.224 -3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.704 3.613 -2.493 1.00 0.00 H new ATOM 279 N LEU A 21 16.172 3.798 -5.253 1.00 0.00 N ATOM 280 CA LEU A 21 15.400 4.029 -6.469 1.00 0.00 C ATOM 281 C LEU A 21 15.502 2.836 -7.415 1.00 0.00 C ATOM 282 O LEU A 21 16.598 2.416 -7.784 1.00 0.00 O ATOM 283 CB LEU A 21 15.889 5.296 -7.173 1.00 0.00 C ATOM 284 CG LEU A 21 14.990 5.834 -8.288 1.00 0.00 C ATOM 285 CD1 LEU A 21 15.196 7.330 -8.464 1.00 0.00 C ATOM 286 CD2 LEU A 21 15.260 5.099 -9.592 1.00 0.00 C ATOM 0 H LEU A 21 17.109 4.200 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 21 14.355 4.157 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.013 6.079 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.875 5.097 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 21 13.951 5.662 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.548 7.695 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.951 7.843 -7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 21 16.236 7.526 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.612 5.495 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.302 5.239 -9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.060 4.036 -9.459 1.00 0.00 H new ATOM 298 N GLY A 22 14.352 2.296 -7.805 1.00 0.00 N ATOM 299 CA GLY A 22 14.334 1.159 -8.706 1.00 0.00 C ATOM 300 C GLY A 22 14.180 -0.159 -7.972 1.00 0.00 C ATOM 301 O GLY A 22 13.732 -1.150 -8.548 1.00 0.00 O ATOM 0 H GLY A 22 13.432 2.626 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.515 1.274 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.257 1.143 -9.285 1.00 0.00 H new ATOM 305 N LYS A 23 14.555 -0.172 -6.698 1.00 0.00 N ATOM 306 CA LYS A 23 14.458 -1.378 -5.883 1.00 0.00 C ATOM 307 C LYS A 23 13.032 -1.921 -5.883 1.00 0.00 C ATOM 308 O LYS A 23 12.103 -1.247 -6.325 1.00 0.00 O ATOM 309 CB LYS A 23 14.904 -1.086 -4.449 1.00 0.00 C ATOM 310 CG LYS A 23 16.389 -1.305 -4.217 1.00 0.00 C ATOM 311 CD LYS A 23 16.731 -2.785 -4.150 1.00 0.00 C ATOM 312 CE LYS A 23 18.219 -3.003 -3.929 1.00 0.00 C ATOM 313 NZ LYS A 23 18.491 -4.273 -3.199 1.00 0.00 N ATOM 0 H LYS A 23 14.929 0.640 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 23 15.115 -2.133 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.655 -0.054 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.341 -1.721 -3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.957 -0.835 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.689 -0.819 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.170 -3.253 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.424 -3.273 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.730 -3.021 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.629 -2.165 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.517 -4.385 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.024 -4.246 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.122 -5.075 -3.749 1.00 0.00 H new ATOM 327 N GLU A 24 12.869 -3.142 -5.384 1.00 0.00 N ATOM 328 CA GLU A 24 11.556 -3.773 -5.326 1.00 0.00 C ATOM 329 C GLU A 24 10.787 -3.319 -4.089 1.00 0.00 C ATOM 330 O GLU A 24 10.946 -3.881 -3.005 1.00 0.00 O ATOM 331 CB GLU A 24 11.698 -5.297 -5.321 1.00 0.00 C ATOM 332 CG GLU A 24 10.392 -6.031 -5.569 1.00 0.00 C ATOM 333 CD GLU A 24 10.603 -7.424 -6.130 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.272 -8.238 -5.459 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.099 -7.701 -7.239 1.00 0.00 O ATOM 0 H GLU A 24 13.629 -3.713 -5.014 1.00 0.00 H new ATOM 0 HA GLU A 24 10.997 -3.470 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.419 -5.589 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.105 -5.612 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.835 -6.100 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.781 -5.453 -6.262 1.00 0.00 H new ATOM 342 N ILE A 25 9.955 -2.297 -4.259 1.00 0.00 N ATOM 343 CA ILE A 25 9.161 -1.767 -3.158 1.00 0.00 C ATOM 344 C ILE A 25 8.358 -2.871 -2.478 1.00 0.00 C ATOM 345 O ILE A 25 7.924 -3.825 -3.125 1.00 0.00 O ATOM 346 CB ILE A 25 8.197 -0.666 -3.637 1.00 0.00 C ATOM 347 CG1 ILE A 25 8.980 0.500 -4.243 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.327 -0.186 -2.485 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.719 1.330 -3.216 1.00 0.00 C ATOM 0 H ILE A 25 9.813 -1.819 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 25 9.862 -1.337 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 25 7.548 -1.082 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.696 0.109 -4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.292 1.143 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.651 0.592 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.746 -1.022 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.960 0.216 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.252 2.138 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.006 1.750 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.432 0.700 -2.684 1.00 0.00 H new ATOM 361 N CYS A 26 8.162 -2.734 -1.172 1.00 0.00 N ATOM 362 CA CYS A 26 7.408 -3.719 -0.404 1.00 0.00 C ATOM 363 C CYS A 26 6.670 -3.057 0.754 1.00 0.00 C ATOM 364 O CYS A 26 7.283 -2.423 1.615 1.00 0.00 O ATOM 365 CB CYS A 26 8.344 -4.806 0.127 1.00 0.00 C ATOM 366 SG CYS A 26 9.587 -4.205 1.294 1.00 0.00 S ATOM 0 H CYS A 26 8.515 -1.951 -0.622 1.00 0.00 H new ATOM 0 HA CYS A 26 6.672 -4.174 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.748 -5.578 0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.850 -5.278 -0.715 1.00 0.00 H new ATOM 0 HG CYS A 26 9.137 -3.147 1.901 1.00 0.00 H new ATOM 372 N LEU A 27 5.350 -3.206 0.770 1.00 0.00 N ATOM 373 CA LEU A 27 4.526 -2.620 1.822 1.00 0.00 C ATOM 374 C LEU A 27 3.495 -3.624 2.328 1.00 0.00 C ATOM 375 O LEU A 27 2.534 -3.950 1.630 1.00 0.00 O ATOM 376 CB LEU A 27 3.821 -1.364 1.306 1.00 0.00 C ATOM 377 CG LEU A 27 4.701 -0.127 1.126 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.957 0.950 0.352 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.157 0.404 2.478 1.00 0.00 C ATOM 0 H LEU A 27 4.827 -3.728 0.066 1.00 0.00 H new ATOM 0 HA LEU A 27 5.179 -2.347 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.359 -1.599 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.015 -1.115 1.996 1.00 0.00 H new ATOM 0 HG LEU A 27 5.583 -0.413 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.599 1.823 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.681 0.567 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.057 1.233 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.782 1.285 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.286 0.673 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.729 -0.365 2.997 1.00 0.00 H new ATOM 391 N LYS A 28 3.699 -4.110 3.547 1.00 0.00 N ATOM 392 CA LYS A 28 2.786 -5.074 4.150 1.00 0.00 C ATOM 393 C LYS A 28 2.146 -4.503 5.411 1.00 0.00 C ATOM 394 O LYS A 28 2.757 -3.703 6.121 1.00 0.00 O ATOM 395 CB LYS A 28 3.528 -6.370 4.484 1.00 0.00 C ATOM 396 CG LYS A 28 2.738 -7.311 5.378 1.00 0.00 C ATOM 397 CD LYS A 28 3.588 -8.478 5.849 1.00 0.00 C ATOM 398 CE LYS A 28 2.912 -9.241 6.977 1.00 0.00 C ATOM 399 NZ LYS A 28 2.935 -8.478 8.255 1.00 0.00 N ATOM 0 H LYS A 28 4.489 -3.852 4.138 1.00 0.00 H new ATOM 0 HA LYS A 28 1.997 -5.289 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.776 -6.886 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.470 -6.123 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.361 -6.763 6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.871 -7.687 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.776 -9.153 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.557 -8.111 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.880 -9.457 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.412 -10.200 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.653 -9.103 9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.896 -8.119 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.272 -7.679 8.194 1.00 0.00 H new ATOM 413 N CYS A 29 0.915 -4.919 5.684 1.00 0.00 N ATOM 414 CA CYS A 29 0.192 -4.448 6.861 1.00 0.00 C ATOM 415 C CYS A 29 -0.743 -5.529 7.393 1.00 0.00 C ATOM 416 O CYS A 29 -0.985 -6.536 6.728 1.00 0.00 O ATOM 417 CB CYS A 29 -0.605 -3.187 6.525 1.00 0.00 C ATOM 418 SG CYS A 29 -1.706 -3.366 5.102 1.00 0.00 S ATOM 0 H CYS A 29 0.396 -5.581 5.107 1.00 0.00 H new ATOM 0 HA CYS A 29 0.922 -4.212 7.635 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.197 -2.902 7.395 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.091 -2.371 6.332 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.194 -4.215 4.261 1.00 0.00 H new ATOM 424 N GLU A 30 -1.264 -5.314 8.597 1.00 0.00 N ATOM 425 CA GLU A 30 -2.171 -6.272 9.218 1.00 0.00 C ATOM 426 C GLU A 30 -3.487 -5.603 9.605 1.00 0.00 C ATOM 427 O GLU A 30 -3.499 -4.492 10.137 1.00 0.00 O ATOM 428 CB GLU A 30 -1.521 -6.895 10.455 1.00 0.00 C ATOM 429 CG GLU A 30 -2.258 -8.115 10.981 1.00 0.00 C ATOM 430 CD GLU A 30 -1.394 -8.975 11.883 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.261 -9.308 11.476 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.850 -9.315 12.994 1.00 0.00 O ATOM 0 H GLU A 30 -1.074 -4.486 9.161 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.382 -7.057 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.496 -7.176 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.468 -6.145 11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.142 -7.792 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.608 -8.714 10.140 1.00 0.00 H new ATOM 439 N ILE A 31 -4.594 -6.287 9.333 1.00 0.00 N ATOM 440 CA ILE A 31 -5.915 -5.760 9.653 1.00 0.00 C ATOM 441 C ILE A 31 -6.746 -6.787 10.414 1.00 0.00 C ATOM 442 O ILE A 31 -6.417 -7.973 10.439 1.00 0.00 O ATOM 443 CB ILE A 31 -6.676 -5.340 8.382 1.00 0.00 C ATOM 444 CG1 ILE A 31 -6.747 -6.507 7.395 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.008 -4.135 7.738 1.00 0.00 C ATOM 446 CD1 ILE A 31 -7.815 -6.340 6.337 1.00 0.00 C ATOM 0 H ILE A 31 -4.602 -7.207 8.892 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.762 -4.883 10.281 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.692 -5.061 8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.779 -6.619 6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.935 -7.428 7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.558 -3.850 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.005 -3.302 8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.982 -4.388 7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.807 -7.204 5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.791 -6.258 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.617 -5.437 5.760 1.00 0.00 H new ATOM 458 N SER A 32 -7.827 -6.323 11.034 1.00 0.00 N ATOM 459 CA SER A 32 -8.706 -7.200 11.799 1.00 0.00 C ATOM 460 C SER A 32 -9.852 -7.710 10.931 1.00 0.00 C ATOM 461 O SER A 32 -11.010 -7.706 11.349 1.00 0.00 O ATOM 462 CB SER A 32 -9.263 -6.462 13.018 1.00 0.00 C ATOM 463 OG SER A 32 -8.313 -6.425 14.069 1.00 0.00 O ATOM 0 H SER A 32 -8.115 -5.345 11.021 1.00 0.00 H new ATOM 0 HA SER A 32 -8.121 -8.055 12.138 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.539 -5.446 12.737 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.172 -6.956 13.362 1.00 0.00 H new ATOM 0 HG SER A 32 -8.770 -6.247 14.917 1.00 0.00 H new ATOM 469 N GLU A 33 -9.521 -8.149 9.721 1.00 0.00 N ATOM 470 CA GLU A 33 -10.523 -8.661 8.794 1.00 0.00 C ATOM 471 C GLU A 33 -9.865 -9.215 7.533 1.00 0.00 C ATOM 472 O GLU A 33 -8.726 -8.877 7.215 1.00 0.00 O ATOM 473 CB GLU A 33 -11.517 -7.559 8.422 1.00 0.00 C ATOM 474 CG GLU A 33 -12.847 -8.086 7.912 1.00 0.00 C ATOM 475 CD GLU A 33 -13.637 -8.812 8.984 1.00 0.00 C ATOM 476 OE1 GLU A 33 -13.544 -8.409 10.163 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.345 -9.783 8.645 1.00 0.00 O ATOM 0 H GLU A 33 -8.567 -8.160 9.360 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.059 -9.471 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.695 -6.932 9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.071 -6.922 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.440 -7.255 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.669 -8.763 7.076 1.00 0.00 H new ATOM 484 N ASN A 34 -10.592 -10.069 6.819 1.00 0.00 N ATOM 485 CA ASN A 34 -10.079 -10.671 5.594 1.00 0.00 C ATOM 486 C ASN A 34 -10.889 -10.215 4.384 1.00 0.00 C ATOM 487 O ASN A 34 -11.349 -11.034 3.588 1.00 0.00 O ATOM 488 CB ASN A 34 -10.113 -12.197 5.698 1.00 0.00 C ATOM 489 CG ASN A 34 -11.352 -12.701 6.413 1.00 0.00 C ATOM 490 OD1 ASN A 34 -12.422 -12.099 6.322 1.00 0.00 O ATOM 491 ND2 ASN A 34 -11.212 -13.810 7.130 1.00 0.00 N ATOM 0 H ASN A 34 -11.538 -10.359 7.068 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.047 -10.345 5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.074 -12.627 4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.225 -12.542 6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.011 -14.196 7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.306 -14.276 7.177 1.00 0.00 H new ATOM 498 N ILE A 35 -11.057 -8.904 4.252 1.00 0.00 N ATOM 499 CA ILE A 35 -11.809 -8.339 3.138 1.00 0.00 C ATOM 500 C ILE A 35 -10.885 -7.628 2.155 1.00 0.00 C ATOM 501 O ILE A 35 -9.839 -7.095 2.523 1.00 0.00 O ATOM 502 CB ILE A 35 -12.880 -7.346 3.628 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.221 -6.148 4.315 1.00 0.00 C ATOM 504 CG2 ILE A 35 -13.850 -8.037 4.574 1.00 0.00 C ATOM 505 CD1 ILE A 35 -11.894 -5.014 3.368 1.00 0.00 C ATOM 0 H ILE A 35 -10.683 -8.213 4.902 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.300 -9.172 2.634 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.439 -6.984 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.884 -5.778 5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.304 -6.478 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.601 -7.322 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.341 -8.860 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.305 -8.424 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.429 -4.199 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.206 -5.368 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.810 -4.657 2.898 1.00 0.00 H new ATOM 517 N PRO A 36 -11.280 -7.619 0.873 1.00 0.00 N ATOM 518 CA PRO A 36 -10.503 -6.975 -0.190 1.00 0.00 C ATOM 519 C PRO A 36 -10.511 -5.455 -0.074 1.00 0.00 C ATOM 520 O PRO A 36 -11.543 -4.849 0.212 1.00 0.00 O ATOM 521 CB PRO A 36 -11.217 -7.418 -1.469 1.00 0.00 C ATOM 522 CG PRO A 36 -12.614 -7.709 -1.042 1.00 0.00 C ATOM 523 CD PRO A 36 -12.516 -8.236 0.363 1.00 0.00 C ATOM 0 HA PRO A 36 -9.451 -7.257 -0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.190 -6.637 -2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.744 -8.299 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.229 -6.810 -1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.079 -8.441 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.383 -7.952 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.459 -9.324 0.381 1.00 0.00 H new ATOM 531 N GLY A 37 -9.352 -4.843 -0.299 1.00 0.00 N ATOM 532 CA GLY A 37 -9.248 -3.397 -0.215 1.00 0.00 C ATOM 533 C GLY A 37 -8.431 -2.808 -1.348 1.00 0.00 C ATOM 534 O GLY A 37 -7.748 -3.532 -2.073 1.00 0.00 O ATOM 0 H GLY A 37 -8.484 -5.322 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.248 -2.963 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.794 -3.123 0.737 1.00 0.00 H new ATOM 538 N LYS A 38 -8.502 -1.491 -1.503 1.00 0.00 N ATOM 539 CA LYS A 38 -7.764 -0.803 -2.556 1.00 0.00 C ATOM 540 C LYS A 38 -6.829 0.249 -1.968 1.00 0.00 C ATOM 541 O LYS A 38 -7.141 0.871 -0.952 1.00 0.00 O ATOM 542 CB LYS A 38 -8.733 -0.146 -3.541 1.00 0.00 C ATOM 543 CG LYS A 38 -8.043 0.544 -4.705 1.00 0.00 C ATOM 544 CD LYS A 38 -7.698 -0.439 -5.811 1.00 0.00 C ATOM 545 CE LYS A 38 -8.850 -0.604 -6.791 1.00 0.00 C ATOM 546 NZ LYS A 38 -8.489 -1.496 -7.927 1.00 0.00 N ATOM 0 H LYS A 38 -9.064 -0.878 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.163 -1.542 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.412 -0.905 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.342 0.583 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.691 1.326 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.134 1.031 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.813 -0.092 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.449 -1.406 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.715 -1.013 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.142 0.373 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.300 -1.583 -8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.680 -1.093 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.234 -2.436 -7.563 1.00 0.00 H new ATOM 560 N TRP A 39 -5.685 0.444 -2.612 1.00 0.00 N ATOM 561 CA TRP A 39 -4.706 1.423 -2.153 1.00 0.00 C ATOM 562 C TRP A 39 -4.869 2.745 -2.894 1.00 0.00 C ATOM 563 O TRP A 39 -5.464 2.796 -3.971 1.00 0.00 O ATOM 564 CB TRP A 39 -3.287 0.886 -2.348 1.00 0.00 C ATOM 565 CG TRP A 39 -3.067 -0.454 -1.714 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.825 -1.577 -1.887 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.019 -0.811 -0.805 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.312 -2.610 -1.140 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.204 -2.166 -0.468 1.00 0.00 C ATOM 570 CE3 TRP A 39 -0.943 -0.118 -0.245 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.352 -2.838 0.405 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.099 -0.786 0.621 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.306 -2.135 0.938 1.00 0.00 C ATOM 0 H TRP A 39 -5.412 -0.063 -3.454 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.877 1.600 -1.091 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.077 0.814 -3.415 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.576 1.599 -1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.699 -1.643 -2.518 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.694 -3.554 -1.093 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.774 0.921 -0.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.511 -3.877 0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.735 -0.259 1.061 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.373 -2.630 1.616 1.00 0.00 H new ATOM 584 N THR A 40 -4.336 3.815 -2.312 1.00 0.00 N ATOM 585 CA THR A 40 -4.424 5.138 -2.918 1.00 0.00 C ATOM 586 C THR A 40 -3.174 5.961 -2.624 1.00 0.00 C ATOM 587 O THR A 40 -2.654 5.941 -1.508 1.00 0.00 O ATOM 588 CB THR A 40 -5.660 5.905 -2.414 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.636 5.991 -0.985 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.942 5.221 -2.864 1.00 0.00 C ATOM 0 H THR A 40 -3.839 3.791 -1.422 1.00 0.00 H new ATOM 0 HA THR A 40 -4.513 4.988 -3.994 1.00 0.00 H new ATOM 0 HB THR A 40 -5.634 6.909 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.996 5.340 -0.629 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.802 5.781 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.972 5.184 -3.953 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.972 4.207 -2.466 1.00 0.00 H new ATOM 598 N LYS A 41 -2.698 6.684 -3.631 1.00 0.00 N ATOM 599 CA LYS A 41 -1.510 7.516 -3.481 1.00 0.00 C ATOM 600 C LYS A 41 -1.874 8.997 -3.530 1.00 0.00 C ATOM 601 O LYS A 41 -2.742 9.407 -4.298 1.00 0.00 O ATOM 602 CB LYS A 41 -0.494 7.194 -4.579 1.00 0.00 C ATOM 603 CG LYS A 41 0.931 7.582 -4.222 1.00 0.00 C ATOM 604 CD LYS A 41 1.234 9.017 -4.619 1.00 0.00 C ATOM 605 CE LYS A 41 2.723 9.232 -4.839 1.00 0.00 C ATOM 606 NZ LYS A 41 2.988 10.289 -5.853 1.00 0.00 N ATOM 0 H LYS A 41 -3.117 6.711 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.066 7.300 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.528 6.126 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.784 7.711 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.085 7.460 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.628 6.910 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.691 9.266 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.879 9.693 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.193 9.508 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.181 8.297 -5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.526 9.883 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.085 10.666 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.538 11.057 -5.418 1.00 0.00 H new ATOM 620 N ASN A 42 -1.202 9.794 -2.705 1.00 0.00 N ATOM 621 CA ASN A 42 -1.454 11.230 -2.655 1.00 0.00 C ATOM 622 C ASN A 42 -2.935 11.529 -2.864 1.00 0.00 C ATOM 623 O ASN A 42 -3.296 12.484 -3.550 1.00 0.00 O ATOM 624 CB ASN A 42 -0.622 11.952 -3.717 1.00 0.00 C ATOM 625 CG ASN A 42 0.845 12.036 -3.342 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.216 11.823 -2.188 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.688 12.349 -4.320 1.00 0.00 N ATOM 0 H ASN A 42 -0.479 9.470 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.164 11.591 -1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.722 11.431 -4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.016 12.958 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.687 12.421 -4.128 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.336 12.517 -5.262 1.00 0.00 H new ATOM 634 N GLY A 43 -3.790 10.705 -2.265 1.00 0.00 N ATOM 635 CA GLY A 43 -5.223 10.898 -2.397 1.00 0.00 C ATOM 636 C GLY A 43 -5.722 10.596 -3.795 1.00 0.00 C ATOM 637 O GLY A 43 -6.540 11.336 -4.344 1.00 0.00 O ATOM 0 H GLY A 43 -3.516 9.908 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.740 10.256 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.473 11.927 -2.140 1.00 0.00 H new ATOM 641 N LEU A 44 -5.230 9.507 -4.375 1.00 0.00 N ATOM 642 CA LEU A 44 -5.631 9.108 -5.720 1.00 0.00 C ATOM 643 C LEU A 44 -5.694 7.589 -5.842 1.00 0.00 C ATOM 644 O LEU A 44 -4.971 6.857 -5.166 1.00 0.00 O ATOM 645 CB LEU A 44 -4.654 9.674 -6.753 1.00 0.00 C ATOM 646 CG LEU A 44 -4.550 11.198 -6.813 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.362 11.618 -7.665 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.837 11.800 -7.357 1.00 0.00 C ATOM 0 H LEU A 44 -4.553 8.884 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.626 9.510 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.663 9.270 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.947 9.311 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.397 11.573 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.303 12.706 -7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.445 11.218 -7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.485 11.232 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.744 12.885 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.021 11.419 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.669 11.528 -6.707 1.00 0.00 H new ATOM 660 N PRO A 45 -6.577 7.102 -6.726 1.00 0.00 N ATOM 661 CA PRO A 45 -6.754 5.666 -6.960 1.00 0.00 C ATOM 662 C PRO A 45 -5.555 5.042 -7.666 1.00 0.00 C ATOM 663 O PRO A 45 -5.413 5.151 -8.883 1.00 0.00 O ATOM 664 CB PRO A 45 -7.994 5.602 -7.854 1.00 0.00 C ATOM 665 CG PRO A 45 -8.032 6.922 -8.544 1.00 0.00 C ATOM 666 CD PRO A 45 -7.471 7.917 -7.566 1.00 0.00 C ATOM 0 HA PRO A 45 -6.855 5.111 -6.028 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.924 4.783 -8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.897 5.436 -7.267 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.442 6.900 -9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.051 7.185 -8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.929 8.716 -8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.257 8.388 -6.976 1.00 0.00 H new ATOM 674 N VAL A 46 -4.694 4.386 -6.893 1.00 0.00 N ATOM 675 CA VAL A 46 -3.508 3.743 -7.445 1.00 0.00 C ATOM 676 C VAL A 46 -3.864 2.868 -8.641 1.00 0.00 C ATOM 677 O VAL A 46 -4.720 1.989 -8.546 1.00 0.00 O ATOM 678 CB VAL A 46 -2.794 2.881 -6.387 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.611 2.150 -7.004 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.347 3.740 -5.213 1.00 0.00 C ATOM 0 H VAL A 46 -4.796 4.286 -5.883 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.837 4.539 -7.768 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.497 2.136 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.119 1.546 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.962 1.504 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.903 2.876 -7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.844 3.115 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.660 4.509 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.216 4.213 -4.756 1.00 0.00 H new ATOM 690 N GLN A 47 -3.201 3.115 -9.766 1.00 0.00 N ATOM 691 CA GLN A 47 -3.448 2.349 -10.982 1.00 0.00 C ATOM 692 C GLN A 47 -2.704 1.018 -10.948 1.00 0.00 C ATOM 693 O GLN A 47 -1.510 0.957 -11.238 1.00 0.00 O ATOM 694 CB GLN A 47 -3.023 3.153 -12.212 1.00 0.00 C ATOM 695 CG GLN A 47 -3.616 2.636 -13.512 1.00 0.00 C ATOM 696 CD GLN A 47 -2.963 3.248 -14.736 1.00 0.00 C ATOM 697 OE1 GLN A 47 -2.365 4.321 -14.664 1.00 0.00 O ATOM 698 NE2 GLN A 47 -3.074 2.565 -15.870 1.00 0.00 N ATOM 0 H GLN A 47 -2.489 3.839 -9.861 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.517 2.145 -11.042 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.319 4.193 -12.076 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.936 3.138 -12.287 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.507 1.552 -13.551 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.685 2.850 -13.530 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.579 1.679 -15.884 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.654 2.927 -16.726 1.00 0.00 H new ATOM 707 N GLU A 48 -3.418 -0.044 -10.591 1.00 0.00 N ATOM 708 CA GLU A 48 -2.824 -1.374 -10.517 1.00 0.00 C ATOM 709 C GLU A 48 -2.504 -1.904 -11.912 1.00 0.00 C ATOM 710 O GLU A 48 -3.296 -1.754 -12.842 1.00 0.00 O ATOM 711 CB GLU A 48 -3.767 -2.339 -9.797 1.00 0.00 C ATOM 712 CG GLU A 48 -3.639 -2.299 -8.283 1.00 0.00 C ATOM 713 CD GLU A 48 -4.834 -2.913 -7.580 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.496 -3.783 -8.184 1.00 0.00 O ATOM 715 OE2 GLU A 48 -5.107 -2.524 -6.425 1.00 0.00 O ATOM 0 H GLU A 48 -4.408 -0.010 -10.348 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.894 -1.298 -9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.795 -2.103 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.569 -3.353 -10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.735 -2.829 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.524 -1.265 -7.959 1.00 0.00 H new ATOM 722 N SER A 49 -1.336 -2.525 -12.049 1.00 0.00 N ATOM 723 CA SER A 49 -0.909 -3.074 -13.331 1.00 0.00 C ATOM 724 C SER A 49 0.151 -4.154 -13.132 1.00 0.00 C ATOM 725 O SER A 49 0.650 -4.354 -12.024 1.00 0.00 O ATOM 726 CB SER A 49 -0.360 -1.964 -14.228 1.00 0.00 C ATOM 727 OG SER A 49 -1.397 -1.103 -14.667 1.00 0.00 O ATOM 0 H SER A 49 -0.669 -2.660 -11.289 1.00 0.00 H new ATOM 0 HA SER A 49 -1.777 -3.524 -13.813 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.388 -1.389 -13.683 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.141 -2.404 -15.090 1.00 0.00 H new ATOM 0 HG SER A 49 -2.222 -1.309 -14.179 1.00 0.00 H new ATOM 733 N ASP A 50 0.490 -4.847 -14.214 1.00 0.00 N ATOM 734 CA ASP A 50 1.491 -5.906 -14.160 1.00 0.00 C ATOM 735 C ASP A 50 2.587 -5.568 -13.155 1.00 0.00 C ATOM 736 O ASP A 50 2.945 -6.391 -12.312 1.00 0.00 O ATOM 737 CB ASP A 50 2.103 -6.129 -15.545 1.00 0.00 C ATOM 738 CG ASP A 50 1.245 -7.022 -16.420 1.00 0.00 C ATOM 739 OD1 ASP A 50 0.051 -6.705 -16.600 1.00 0.00 O ATOM 740 OD2 ASP A 50 1.768 -8.038 -16.924 1.00 0.00 O ATOM 0 H ASP A 50 0.087 -4.694 -15.138 1.00 0.00 H new ATOM 0 HA ASP A 50 0.997 -6.822 -13.837 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.240 -5.166 -16.038 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.092 -6.575 -15.435 1.00 0.00 H new ATOM 745 N ARG A 51 3.116 -4.352 -13.250 1.00 0.00 N ATOM 746 CA ARG A 51 4.172 -3.906 -12.350 1.00 0.00 C ATOM 747 C ARG A 51 3.683 -3.885 -10.905 1.00 0.00 C ATOM 748 O ARG A 51 4.332 -4.429 -10.010 1.00 0.00 O ATOM 749 CB ARG A 51 4.662 -2.515 -12.754 1.00 0.00 C ATOM 750 CG ARG A 51 3.561 -1.467 -12.783 1.00 0.00 C ATOM 751 CD ARG A 51 3.943 -0.282 -13.657 1.00 0.00 C ATOM 752 NE ARG A 51 3.809 -0.585 -15.079 1.00 0.00 N ATOM 753 CZ ARG A 51 3.686 0.344 -16.021 1.00 0.00 C ATOM 754 NH1 ARG A 51 3.682 1.629 -15.692 1.00 0.00 N ATOM 755 NH2 ARG A 51 3.568 -0.011 -17.294 1.00 0.00 N ATOM 0 H ARG A 51 2.830 -3.659 -13.941 1.00 0.00 H new ATOM 0 HA ARG A 51 5.000 -4.611 -12.425 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.438 -2.196 -12.058 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.123 -2.573 -13.740 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.641 -1.915 -13.157 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.358 -1.122 -11.769 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.312 0.571 -13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.972 0.009 -13.444 1.00 0.00 H new ATOM 0 HE ARG A 51 3.810 -1.564 -15.365 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.773 1.905 -14.714 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.587 2.341 -16.417 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.572 -0.998 -17.551 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.474 0.703 -18.016 1.00 0.00 H new ATOM 769 N LEU A 52 2.535 -3.255 -10.684 1.00 0.00 N ATOM 770 CA LEU A 52 1.958 -3.162 -9.347 1.00 0.00 C ATOM 771 C LEU A 52 1.004 -4.323 -9.084 1.00 0.00 C ATOM 772 O LEU A 52 -0.052 -4.427 -9.709 1.00 0.00 O ATOM 773 CB LEU A 52 1.220 -1.833 -9.180 1.00 0.00 C ATOM 774 CG LEU A 52 1.058 -1.331 -7.744 1.00 0.00 C ATOM 775 CD1 LEU A 52 0.818 0.171 -7.728 1.00 0.00 C ATOM 776 CD2 LEU A 52 -0.080 -2.063 -7.049 1.00 0.00 C ATOM 0 H LEU A 52 1.985 -2.801 -11.413 1.00 0.00 H new ATOM 0 HA LEU A 52 2.771 -3.212 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.750 -1.072 -9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.229 -1.932 -9.623 1.00 0.00 H new ATOM 0 HG LEU A 52 1.980 -1.536 -7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.705 0.510 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.666 0.680 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.089 0.401 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.181 -1.693 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.009 -1.889 -7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.134 -3.132 -7.028 1.00 0.00 H new ATOM 788 N LYS A 53 1.381 -5.193 -8.154 1.00 0.00 N ATOM 789 CA LYS A 53 0.558 -6.345 -7.804 1.00 0.00 C ATOM 790 C LYS A 53 0.188 -6.321 -6.325 1.00 0.00 C ATOM 791 O LYS A 53 1.060 -6.260 -5.457 1.00 0.00 O ATOM 792 CB LYS A 53 1.297 -7.644 -8.135 1.00 0.00 C ATOM 793 CG LYS A 53 0.387 -8.858 -8.213 1.00 0.00 C ATOM 794 CD LYS A 53 -0.167 -9.050 -9.615 1.00 0.00 C ATOM 795 CE LYS A 53 0.823 -9.780 -10.510 1.00 0.00 C ATOM 796 NZ LYS A 53 0.310 -9.926 -11.900 1.00 0.00 N ATOM 0 H LYS A 53 2.252 -5.122 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.360 -6.296 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.814 -7.526 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.061 -7.821 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.940 -9.748 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.436 -8.743 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.099 -9.614 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.405 -8.079 -10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.767 -9.236 -10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.030 -10.766 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.013 -10.428 -12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.578 -10.467 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.136 -8.985 -12.307 1.00 0.00 H new ATOM 810 N VAL A 54 -1.110 -6.369 -6.043 1.00 0.00 N ATOM 811 CA VAL A 54 -1.595 -6.355 -4.668 1.00 0.00 C ATOM 812 C VAL A 54 -1.913 -7.765 -4.183 1.00 0.00 C ATOM 813 O VAL A 54 -2.938 -8.342 -4.546 1.00 0.00 O ATOM 814 CB VAL A 54 -2.854 -5.479 -4.526 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.372 -5.518 -3.096 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.559 -4.050 -4.956 1.00 0.00 C ATOM 0 H VAL A 54 -1.845 -6.418 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.798 -5.934 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.630 -5.878 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.262 -4.894 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.623 -6.544 -2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.603 -5.144 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.459 -3.445 -4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.768 -3.637 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.238 -4.042 -5.998 1.00 0.00 H new ATOM 826 N VAL A 55 -1.026 -8.316 -3.360 1.00 0.00 N ATOM 827 CA VAL A 55 -1.213 -9.659 -2.823 1.00 0.00 C ATOM 828 C VAL A 55 -1.985 -9.623 -1.508 1.00 0.00 C ATOM 829 O VAL A 55 -1.747 -8.761 -0.662 1.00 0.00 O ATOM 830 CB VAL A 55 0.137 -10.364 -2.594 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.070 -11.703 -1.903 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.875 -10.543 -3.912 1.00 0.00 C ATOM 0 H VAL A 55 -0.171 -7.853 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.786 -10.219 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 55 0.748 -9.738 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.895 -12.186 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.554 -11.544 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.700 -12.340 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.827 -11.043 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.271 -11.147 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.057 -9.567 -4.362 1.00 0.00 H new ATOM 842 N GLN A 56 -2.908 -10.564 -1.345 1.00 0.00 N ATOM 843 CA GLN A 56 -3.715 -10.640 -0.133 1.00 0.00 C ATOM 844 C GLN A 56 -3.551 -11.995 0.547 1.00 0.00 C ATOM 845 O GLN A 56 -3.649 -13.040 -0.096 1.00 0.00 O ATOM 846 CB GLN A 56 -5.190 -10.396 -0.461 1.00 0.00 C ATOM 847 CG GLN A 56 -6.089 -10.371 0.765 1.00 0.00 C ATOM 848 CD GLN A 56 -7.362 -9.579 0.539 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.488 -8.854 -0.448 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.314 -9.714 1.454 1.00 0.00 N ATOM 0 H GLN A 56 -3.116 -11.284 -2.036 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.369 -9.866 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.284 -9.448 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.537 -11.175 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.346 -11.393 1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.542 -9.940 1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.167 -10.326 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.193 -9.206 1.355 1.00 0.00 H new ATOM 859 N LYS A 57 -3.299 -11.970 1.851 1.00 0.00 N ATOM 860 CA LYS A 57 -3.122 -13.196 2.620 1.00 0.00 C ATOM 861 C LYS A 57 -3.982 -13.178 3.880 1.00 0.00 C ATOM 862 O LYS A 57 -3.574 -12.653 4.915 1.00 0.00 O ATOM 863 CB LYS A 57 -1.650 -13.377 2.998 1.00 0.00 C ATOM 864 CG LYS A 57 -0.738 -13.595 1.804 1.00 0.00 C ATOM 865 CD LYS A 57 -0.710 -15.055 1.382 1.00 0.00 C ATOM 866 CE LYS A 57 -1.796 -15.361 0.362 1.00 0.00 C ATOM 867 NZ LYS A 57 -1.421 -16.499 -0.523 1.00 0.00 N ATOM 0 H LYS A 57 -3.213 -11.113 2.398 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.438 -14.034 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.313 -12.497 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.559 -14.227 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.077 -12.981 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.272 -13.268 2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.266 -15.294 0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.842 -15.691 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.726 -15.595 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.984 -14.475 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.187 -16.676 -1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.548 -16.266 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.266 -17.351 0.053 1.00 0.00 H new ATOM 881 N GLY A 58 -5.176 -13.756 3.784 1.00 0.00 N ATOM 882 CA GLY A 58 -6.074 -13.796 4.923 1.00 0.00 C ATOM 883 C GLY A 58 -6.385 -12.415 5.465 1.00 0.00 C ATOM 884 O GLY A 58 -7.223 -11.700 4.916 1.00 0.00 O ATOM 0 H GLY A 58 -5.537 -14.197 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.003 -14.286 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.628 -14.401 5.712 1.00 0.00 H new ATOM 888 N ARG A 59 -5.710 -12.040 6.546 1.00 0.00 N ATOM 889 CA ARG A 59 -5.921 -10.736 7.165 1.00 0.00 C ATOM 890 C ARG A 59 -4.677 -9.863 7.030 1.00 0.00 C ATOM 891 O ARG A 59 -4.240 -9.235 7.995 1.00 0.00 O ATOM 892 CB ARG A 59 -6.284 -10.901 8.641 1.00 0.00 C ATOM 893 CG ARG A 59 -7.648 -11.532 8.867 1.00 0.00 C ATOM 894 CD ARG A 59 -8.063 -11.455 10.328 1.00 0.00 C ATOM 895 NE ARG A 59 -7.599 -12.611 11.090 1.00 0.00 N ATOM 896 CZ ARG A 59 -8.142 -13.000 12.238 1.00 0.00 C ATOM 897 NH1 ARG A 59 -9.163 -12.329 12.754 1.00 0.00 N ATOM 898 NH2 ARG A 59 -7.664 -14.062 12.874 1.00 0.00 N ATOM 0 H ARG A 59 -5.012 -12.620 7.012 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.746 -10.246 6.648 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.525 -11.514 9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.261 -9.924 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.391 -11.026 8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.625 -12.574 8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.662 -10.544 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.149 -11.390 10.393 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.815 -13.149 10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.533 -11.512 12.269 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.578 -12.630 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.878 -14.581 12.481 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.082 -14.359 13.756 1.00 0.00 H new ATOM 912 N ILE A 60 -4.112 -9.829 5.828 1.00 0.00 N ATOM 913 CA ILE A 60 -2.919 -9.032 5.567 1.00 0.00 C ATOM 914 C ILE A 60 -2.873 -8.571 4.114 1.00 0.00 C ATOM 915 O ILE A 60 -2.996 -9.377 3.192 1.00 0.00 O ATOM 916 CB ILE A 60 -1.635 -9.821 5.885 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.677 -10.348 7.321 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.410 -8.945 5.672 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.529 -11.274 7.659 1.00 0.00 C ATOM 0 H ILE A 60 -4.461 -10.344 5.019 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.972 -8.161 6.220 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.571 -10.672 5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.667 -9.503 8.010 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.617 -10.876 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.490 -9.516 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.376 -8.614 4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.465 -8.077 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.623 -11.609 8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.550 -12.138 6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.415 -10.744 7.534 1.00 0.00 H new ATOM 931 N HIS A 61 -2.692 -7.269 3.918 1.00 0.00 N ATOM 932 CA HIS A 61 -2.626 -6.700 2.577 1.00 0.00 C ATOM 933 C HIS A 61 -1.191 -6.327 2.215 1.00 0.00 C ATOM 934 O HIS A 61 -0.602 -5.428 2.815 1.00 0.00 O ATOM 935 CB HIS A 61 -3.526 -5.468 2.477 1.00 0.00 C ATOM 936 CG HIS A 61 -4.988 -5.788 2.534 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.816 -5.723 1.434 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.769 -6.180 3.568 1.00 0.00 C ATOM 939 CE1 HIS A 61 -7.043 -6.059 1.788 1.00 0.00 C ATOM 940 NE2 HIS A 61 -7.042 -6.341 3.079 1.00 0.00 N ATOM 0 H HIS A 61 -2.588 -6.588 4.671 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.976 -7.454 1.872 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.281 -4.782 3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.313 -4.947 1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.450 -6.337 4.588 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.901 -6.097 1.134 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.854 -6.631 3.623 1.00 0.00 H new ATOM 949 N LYS A 62 -0.635 -7.024 1.230 1.00 0.00 N ATOM 950 CA LYS A 62 0.730 -6.767 0.786 1.00 0.00 C ATOM 951 C LYS A 62 0.740 -6.083 -0.577 1.00 0.00 C ATOM 952 O LYS A 62 -0.106 -6.362 -1.429 1.00 0.00 O ATOM 953 CB LYS A 62 1.522 -8.075 0.718 1.00 0.00 C ATOM 954 CG LYS A 62 3.024 -7.873 0.626 1.00 0.00 C ATOM 955 CD LYS A 62 3.698 -9.023 -0.104 1.00 0.00 C ATOM 956 CE LYS A 62 3.499 -10.341 0.629 1.00 0.00 C ATOM 957 NZ LYS A 62 2.213 -10.993 0.260 1.00 0.00 N ATOM 0 H LYS A 62 -1.109 -7.772 0.724 1.00 0.00 H new ATOM 0 HA LYS A 62 1.201 -6.102 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.298 -8.672 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.187 -8.648 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.235 -6.938 0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.442 -7.783 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.293 -9.102 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.764 -8.818 -0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.326 -11.013 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.521 -10.165 1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.318 -12.026 0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.467 -10.684 0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.954 -10.725 -0.711 1.00 0.00 H new ATOM 971 N LEU A 63 1.701 -5.189 -0.779 1.00 0.00 N ATOM 972 CA LEU A 63 1.822 -4.467 -2.041 1.00 0.00 C ATOM 973 C LEU A 63 3.285 -4.188 -2.371 1.00 0.00 C ATOM 974 O LEU A 63 3.918 -3.328 -1.758 1.00 0.00 O ATOM 975 CB LEU A 63 1.043 -3.152 -1.975 1.00 0.00 C ATOM 976 CG LEU A 63 0.865 -2.410 -3.300 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.424 -1.602 -3.291 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.060 -1.508 -3.571 1.00 0.00 C ATOM 0 H LEU A 63 2.408 -4.946 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 63 1.403 -5.092 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.056 -3.358 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.549 -2.488 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 63 0.802 -3.147 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.533 -1.081 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.272 -2.271 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.392 -0.874 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.916 -0.988 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.155 -0.778 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.967 -2.111 -3.622 1.00 0.00 H new ATOM 990 N VAL A 64 3.816 -4.920 -3.345 1.00 0.00 N ATOM 991 CA VAL A 64 5.204 -4.749 -3.760 1.00 0.00 C ATOM 992 C VAL A 64 5.291 -4.276 -5.206 1.00 0.00 C ATOM 993 O VAL A 64 4.533 -4.729 -6.065 1.00 0.00 O ATOM 994 CB VAL A 64 5.999 -6.060 -3.611 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.704 -6.714 -2.270 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.682 -7.008 -4.758 1.00 0.00 C ATOM 0 H VAL A 64 3.307 -5.637 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 64 5.639 -3.992 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 64 7.063 -5.826 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.274 -7.639 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.986 -6.036 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.639 -6.937 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.252 -7.929 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.617 -7.238 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.950 -6.537 -5.704 1.00 0.00 H new ATOM 1006 N ILE A 65 6.219 -3.363 -5.469 1.00 0.00 N ATOM 1007 CA ILE A 65 6.406 -2.829 -6.813 1.00 0.00 C ATOM 1008 C ILE A 65 7.679 -3.377 -7.449 1.00 0.00 C ATOM 1009 O ILE A 65 8.684 -3.586 -6.771 1.00 0.00 O ATOM 1010 CB ILE A 65 6.471 -1.290 -6.803 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.370 -0.717 -5.909 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.348 -0.747 -8.219 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.596 0.728 -5.524 1.00 0.00 C ATOM 0 H ILE A 65 6.853 -2.977 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 65 5.544 -3.144 -7.401 1.00 0.00 H new ATOM 0 HB ILE A 65 7.436 -0.984 -6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.413 -0.802 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.298 -1.319 -5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.396 0.342 -8.197 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.164 -1.133 -8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.396 -1.060 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.777 1.068 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.536 0.817 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.638 1.342 -6.424 1.00 0.00 H new ATOM 1025 N ALA A 66 7.629 -3.605 -8.757 1.00 0.00 N ATOM 1026 CA ALA A 66 8.779 -4.124 -9.487 1.00 0.00 C ATOM 1027 C ALA A 66 9.968 -3.174 -9.387 1.00 0.00 C ATOM 1028 O ALA A 66 10.986 -3.499 -8.778 1.00 0.00 O ATOM 1029 CB ALA A 66 8.415 -4.366 -10.944 1.00 0.00 C ATOM 0 H ALA A 66 6.804 -3.438 -9.333 1.00 0.00 H new ATOM 0 HA ALA A 66 9.067 -5.073 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.284 -4.753 -11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.602 -5.090 -11.001 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.098 -3.428 -11.400 1.00 0.00 H new ATOM 1035 N ASN A 67 9.830 -1.997 -9.991 1.00 0.00 N ATOM 1036 CA ASN A 67 10.894 -0.999 -9.971 1.00 0.00 C ATOM 1037 C ASN A 67 10.406 0.303 -9.344 1.00 0.00 C ATOM 1038 O ASN A 67 9.615 1.033 -9.942 1.00 0.00 O ATOM 1039 CB ASN A 67 11.402 -0.737 -11.390 1.00 0.00 C ATOM 1040 CG ASN A 67 12.655 0.117 -11.406 1.00 0.00 C ATOM 1041 OD1 ASN A 67 12.583 1.344 -11.479 1.00 0.00 O ATOM 1042 ND2 ASN A 67 13.813 -0.530 -11.339 1.00 0.00 N ATOM 0 H ASN A 67 8.993 -1.712 -10.499 1.00 0.00 H new ATOM 0 HA ASN A 67 11.713 -1.388 -9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.607 -1.688 -11.881 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.621 -0.242 -11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.690 -0.009 -11.347 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.826 -1.548 -11.280 1.00 0.00 H new ATOM 1049 N ALA A 68 10.883 0.589 -8.137 1.00 0.00 N ATOM 1050 CA ALA A 68 10.498 1.804 -7.431 1.00 0.00 C ATOM 1051 C ALA A 68 10.808 3.044 -8.263 1.00 0.00 C ATOM 1052 O ALA A 68 11.945 3.250 -8.689 1.00 0.00 O ATOM 1053 CB ALA A 68 11.204 1.879 -6.085 1.00 0.00 C ATOM 0 H ALA A 68 11.537 -0.005 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 68 9.422 1.771 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.907 2.792 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.929 1.014 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.283 1.885 -6.240 1.00 0.00 H new ATOM 1059 N LEU A 69 9.790 3.867 -8.491 1.00 0.00 N ATOM 1060 CA LEU A 69 9.954 5.087 -9.274 1.00 0.00 C ATOM 1061 C LEU A 69 9.747 6.323 -8.404 1.00 0.00 C ATOM 1062 O LEU A 69 9.069 6.268 -7.378 1.00 0.00 O ATOM 1063 CB LEU A 69 8.969 5.103 -10.444 1.00 0.00 C ATOM 1064 CG LEU A 69 9.091 3.949 -11.439 1.00 0.00 C ATOM 1065 CD1 LEU A 69 7.861 3.880 -12.331 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.352 4.099 -12.278 1.00 0.00 C ATOM 0 H LEU A 69 8.843 3.712 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 69 10.972 5.105 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.956 5.103 -10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.096 6.040 -10.987 1.00 0.00 H new ATOM 0 HG LEU A 69 9.160 3.017 -10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.966 3.052 -13.033 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.974 3.724 -11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.760 4.814 -12.884 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.422 3.269 -12.981 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.313 5.039 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.225 4.097 -11.626 1.00 0.00 H new ATOM 1078 N THR A 70 10.336 7.440 -8.822 1.00 0.00 N ATOM 1079 CA THR A 70 10.216 8.690 -8.082 1.00 0.00 C ATOM 1080 C THR A 70 8.787 8.908 -7.600 1.00 0.00 C ATOM 1081 O THR A 70 8.562 9.312 -6.459 1.00 0.00 O ATOM 1082 CB THR A 70 10.646 9.894 -8.941 1.00 0.00 C ATOM 1083 OG1 THR A 70 9.945 9.880 -10.190 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.145 9.870 -9.195 1.00 0.00 C ATOM 0 H THR A 70 10.901 7.504 -9.669 1.00 0.00 H new ATOM 0 HA THR A 70 10.879 8.613 -7.220 1.00 0.00 H new ATOM 0 HB THR A 70 10.401 10.806 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.223 10.650 -10.730 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.425 10.730 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.676 9.910 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.410 8.952 -9.720 1.00 0.00 H new ATOM 1092 N GLU A 71 7.824 8.638 -8.475 1.00 0.00 N ATOM 1093 CA GLU A 71 6.415 8.806 -8.136 1.00 0.00 C ATOM 1094 C GLU A 71 6.115 8.228 -6.756 1.00 0.00 C ATOM 1095 O GLU A 71 5.384 8.827 -5.967 1.00 0.00 O ATOM 1096 CB GLU A 71 5.531 8.131 -9.187 1.00 0.00 C ATOM 1097 CG GLU A 71 5.762 8.645 -10.598 1.00 0.00 C ATOM 1098 CD GLU A 71 4.974 9.907 -10.895 1.00 0.00 C ATOM 1099 OE1 GLU A 71 5.364 10.982 -10.394 1.00 0.00 O ATOM 1100 OE2 GLU A 71 3.967 9.818 -11.629 1.00 0.00 O ATOM 0 H GLU A 71 7.993 8.302 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 71 6.196 9.874 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.713 7.056 -9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.485 8.282 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.825 8.843 -10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.484 7.871 -11.313 1.00 0.00 H new ATOM 1107 N ASP A 72 6.684 7.062 -6.473 1.00 0.00 N ATOM 1108 CA ASP A 72 6.478 6.402 -5.189 1.00 0.00 C ATOM 1109 C ASP A 72 6.610 7.397 -4.040 1.00 0.00 C ATOM 1110 O ASP A 72 5.816 7.382 -3.100 1.00 0.00 O ATOM 1111 CB ASP A 72 7.482 5.262 -5.010 1.00 0.00 C ATOM 1112 CG ASP A 72 8.777 5.725 -4.372 1.00 0.00 C ATOM 1113 OD1 ASP A 72 8.797 5.907 -3.137 1.00 0.00 O ATOM 1114 OD2 ASP A 72 9.770 5.907 -5.107 1.00 0.00 O ATOM 0 H ASP A 72 7.292 6.554 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 72 5.468 5.992 -5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.035 4.482 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.698 4.816 -5.981 1.00 0.00 H new ATOM 1119 N GLU A 73 7.619 8.259 -4.123 1.00 0.00 N ATOM 1120 CA GLU A 73 7.855 9.260 -3.089 1.00 0.00 C ATOM 1121 C GLU A 73 6.633 10.157 -2.911 1.00 0.00 C ATOM 1122 O GLU A 73 6.302 10.954 -3.787 1.00 0.00 O ATOM 1123 CB GLU A 73 9.078 10.109 -3.440 1.00 0.00 C ATOM 1124 CG GLU A 73 9.553 10.993 -2.299 1.00 0.00 C ATOM 1125 CD GLU A 73 8.412 11.712 -1.604 1.00 0.00 C ATOM 1126 OE1 GLU A 73 7.707 12.493 -2.276 1.00 0.00 O ATOM 1127 OE2 GLU A 73 8.226 11.493 -0.389 1.00 0.00 O ATOM 0 H GLU A 73 8.285 8.284 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 73 8.041 8.739 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.893 9.450 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.840 10.736 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.090 10.384 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.260 11.728 -2.684 1.00 0.00 H new ATOM 1134 N GLY A 74 5.967 10.019 -1.768 1.00 0.00 N ATOM 1135 CA GLY A 74 4.789 10.822 -1.495 1.00 0.00 C ATOM 1136 C GLY A 74 4.067 10.382 -0.237 1.00 0.00 C ATOM 1137 O GLY A 74 4.587 10.529 0.869 1.00 0.00 O ATOM 0 H GLY A 74 6.222 9.366 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.081 11.868 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.106 10.760 -2.343 1.00 0.00 H new ATOM 1141 N ASP A 75 2.865 9.842 -0.405 1.00 0.00 N ATOM 1142 CA ASP A 75 2.069 9.380 0.727 1.00 0.00 C ATOM 1143 C ASP A 75 1.146 8.239 0.313 1.00 0.00 C ATOM 1144 O ASP A 75 0.306 8.397 -0.573 1.00 0.00 O ATOM 1145 CB ASP A 75 1.247 10.533 1.304 1.00 0.00 C ATOM 1146 CG ASP A 75 0.693 10.218 2.680 1.00 0.00 C ATOM 1147 OD1 ASP A 75 1.422 10.419 3.674 1.00 0.00 O ATOM 1148 OD2 ASP A 75 -0.470 9.770 2.762 1.00 0.00 O ATOM 0 H ASP A 75 2.420 9.713 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 75 2.752 9.011 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.870 11.426 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.423 10.762 0.628 1.00 0.00 H new ATOM 1153 N TYR A 76 1.310 7.089 0.958 1.00 0.00 N ATOM 1154 CA TYR A 76 0.494 5.920 0.654 1.00 0.00 C ATOM 1155 C TYR A 76 -0.595 5.727 1.705 1.00 0.00 C ATOM 1156 O TYR A 76 -0.340 5.823 2.905 1.00 0.00 O ATOM 1157 CB TYR A 76 1.369 4.668 0.575 1.00 0.00 C ATOM 1158 CG TYR A 76 2.076 4.506 -0.752 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.283 5.147 -1.001 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.536 3.713 -1.757 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.933 5.003 -2.212 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.179 3.561 -2.970 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.377 4.209 -3.193 1.00 0.00 C ATOM 1164 OH TYR A 76 4.020 4.062 -4.401 1.00 0.00 O ATOM 0 H TYR A 76 2.000 6.942 1.694 1.00 0.00 H new ATOM 0 HA TYR A 76 0.016 6.083 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.112 4.704 1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.749 3.790 0.757 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.721 5.769 -0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.597 3.207 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.871 5.509 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.747 2.939 -3.740 1.00 0.00 H new ATOM 0 HH TYR A 76 3.497 3.470 -4.980 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.812 5.453 1.244 1.00 0.00 N ATOM 1175 CA VAL A 77 -2.941 5.245 2.142 1.00 0.00 C ATOM 1176 C VAL A 77 -3.804 4.077 1.679 1.00 0.00 C ATOM 1177 O VAL A 77 -4.184 3.997 0.510 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.817 6.507 2.245 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.008 6.258 3.158 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -2.994 7.688 2.738 1.00 0.00 C ATOM 0 H VAL A 77 -2.041 5.370 0.253 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.526 5.019 3.124 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.196 6.747 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.615 7.161 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.610 5.442 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.654 5.992 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.629 8.571 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.584 7.460 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.178 7.879 2.041 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.111 3.172 2.602 1.00 0.00 N ATOM 1191 CA PHE A 78 -4.930 2.007 2.288 1.00 0.00 C ATOM 1192 C PHE A 78 -6.379 2.231 2.708 1.00 0.00 C ATOM 1193 O PHE A 78 -6.649 2.797 3.767 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.372 0.763 2.984 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.264 -0.440 2.867 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.349 -1.143 1.676 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -6.018 -0.868 3.948 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.169 -2.249 1.565 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.840 -1.974 3.843 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.915 -2.666 2.651 1.00 0.00 C ATOM 0 H PHE A 78 -3.805 3.223 3.574 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.903 1.855 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.397 0.525 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.214 0.987 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.767 -0.822 0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.963 -0.331 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.227 -2.787 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.423 -2.297 4.693 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.555 -3.532 2.567 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.308 1.784 1.870 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.730 1.934 2.154 1.00 0.00 C ATOM 1212 C ALA A 79 -9.506 0.687 1.744 1.00 0.00 C ATOM 1213 O ALA A 79 -9.514 0.285 0.581 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.284 3.160 1.442 1.00 0.00 C ATOM 0 H ALA A 79 -7.101 1.315 0.988 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.848 2.067 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.347 3.260 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.757 4.050 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.146 3.050 0.366 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.175 0.058 2.722 1.00 0.00 N ATOM 1221 CA PRO A 80 -10.967 -1.153 2.488 1.00 0.00 C ATOM 1222 C PRO A 80 -12.225 -0.874 1.673 1.00 0.00 C ATOM 1223 O PRO A 80 -12.720 0.253 1.643 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.335 -1.615 3.900 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.293 -0.377 4.727 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.210 0.481 4.133 1.00 0.00 C ATOM 0 HA PRO A 80 -10.415 -1.896 1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.324 -2.072 3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.631 -2.361 4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.253 0.138 4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.078 -0.611 5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.440 1.542 4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.252 0.317 4.626 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.738 -1.907 1.014 1.00 0.00 N ATOM 1235 CA ASP A 81 -13.941 -1.773 0.199 1.00 0.00 C ATOM 1236 C ASP A 81 -15.189 -2.091 1.017 1.00 0.00 C ATOM 1237 O ASP A 81 -16.285 -2.214 0.472 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.864 -2.697 -1.017 1.00 0.00 C ATOM 1239 CG ASP A 81 -14.748 -2.229 -2.156 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -15.960 -2.033 -1.926 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -14.228 -2.058 -3.279 1.00 0.00 O ATOM 0 H ASP A 81 -12.340 -2.846 1.028 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.006 -0.740 -0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.832 -2.754 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.158 -3.705 -0.723 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.013 -2.224 2.328 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.125 -2.526 3.220 1.00 0.00 C ATOM 1248 C ALA A 82 -16.277 -1.452 4.292 1.00 0.00 C ATOM 1249 O ALA A 82 -17.388 -1.147 4.726 1.00 0.00 O ATOM 1250 CB ALA A 82 -15.930 -3.891 3.863 1.00 0.00 C ATOM 0 H ALA A 82 -14.111 -2.127 2.795 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.039 -2.543 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.768 -4.104 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.879 -4.655 3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.003 -3.894 4.437 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.154 -0.881 4.714 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.163 0.157 5.737 1.00 0.00 C ATOM 1258 C TYR A 83 -14.465 1.419 5.238 1.00 0.00 C ATOM 1259 O TYR A 83 -14.003 1.478 4.099 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.481 -0.346 7.010 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.813 -1.783 7.347 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.060 -2.830 6.830 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.880 -2.093 8.181 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.360 -4.143 7.134 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.186 -3.404 8.492 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.423 -4.425 7.966 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.726 -5.732 8.272 1.00 0.00 O ATOM 0 H TYR A 83 -14.226 -1.120 4.363 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.201 0.401 5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.401 -0.248 6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.773 0.291 7.845 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.226 -2.613 6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.481 -1.296 8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.765 -4.945 6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -17.018 -3.628 9.143 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.502 -5.756 8.870 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.391 2.427 6.101 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.750 3.689 5.750 1.00 0.00 C ATOM 1279 C ASN A 84 -12.482 3.902 6.572 1.00 0.00 C ATOM 1280 O ASN A 84 -12.289 4.959 7.173 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.716 4.855 5.970 1.00 0.00 C ATOM 1282 CG ASN A 84 -15.845 4.869 4.958 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -17.001 4.614 5.298 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -15.515 5.167 3.707 1.00 0.00 N ATOM 0 H ASN A 84 -14.767 2.394 7.049 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.476 3.648 4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.133 4.793 6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.167 5.795 5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -16.232 5.191 2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.544 5.372 3.471 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.620 2.891 6.593 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.370 2.967 7.339 1.00 0.00 C ATOM 1293 C VAL A 85 -9.226 3.439 6.448 1.00 0.00 C ATOM 1294 O VAL A 85 -9.141 3.067 5.277 1.00 0.00 O ATOM 1295 CB VAL A 85 -9.998 1.604 7.954 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -8.772 1.736 8.843 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.174 1.033 8.733 1.00 0.00 C ATOM 0 H VAL A 85 -11.765 2.009 6.102 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.524 3.689 8.141 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.757 0.913 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.525 0.763 9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.931 2.098 8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.980 2.441 9.647 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.894 0.070 9.161 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.448 1.720 9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.024 0.899 8.063 1.00 0.00 H new ATOM 1307 N THR A 86 -8.345 4.261 7.011 1.00 0.00 N ATOM 1308 CA THR A 86 -7.206 4.785 6.268 1.00 0.00 C ATOM 1309 C THR A 86 -5.903 4.549 7.022 1.00 0.00 C ATOM 1310 O THR A 86 -5.809 4.818 8.221 1.00 0.00 O ATOM 1311 CB THR A 86 -7.361 6.293 5.992 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.415 7.014 7.228 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.619 6.569 5.183 1.00 0.00 C ATOM 0 H THR A 86 -8.399 4.578 7.979 1.00 0.00 H new ATOM 0 HA THR A 86 -7.175 4.251 5.318 1.00 0.00 H new ATOM 0 HB THR A 86 -6.498 6.625 5.415 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.044 6.460 7.946 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.707 7.640 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.562 6.042 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.491 6.223 5.737 1.00 0.00 H new ATOM 1321 N LEU A 87 -4.898 4.046 6.314 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.597 3.775 6.917 1.00 0.00 C ATOM 1323 C LEU A 87 -2.504 4.602 6.248 1.00 0.00 C ATOM 1324 O LEU A 87 -2.054 4.302 5.142 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.264 2.286 6.809 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.098 1.347 7.682 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.550 1.348 7.231 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.527 -0.064 7.644 1.00 0.00 C ATOM 0 H LEU A 87 -4.959 3.817 5.322 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.646 4.055 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.381 1.982 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.213 2.150 7.064 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.058 1.707 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.128 0.674 7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.955 2.357 7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.610 1.013 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.133 -0.719 8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.536 -0.433 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.502 -0.052 8.016 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.064 5.667 6.935 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.015 6.557 6.428 1.00 0.00 C ATOM 1342 C PRO A 88 0.353 5.885 6.402 1.00 0.00 C ATOM 1343 O PRO A 88 0.714 5.154 7.323 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.023 7.718 7.426 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.565 7.132 8.684 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.555 6.083 8.259 1.00 0.00 C ATOM 0 HA PRO A 88 -1.201 6.861 5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.020 8.118 7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.645 8.540 7.072 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.768 6.695 9.286 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.045 7.896 9.296 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.581 5.248 8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.567 6.484 8.204 1.00 0.00 H new ATOM 1354 N ALA A 89 1.112 6.139 5.340 1.00 0.00 N ATOM 1355 CA ALA A 89 2.442 5.561 5.196 1.00 0.00 C ATOM 1356 C ALA A 89 3.376 6.510 4.452 1.00 0.00 C ATOM 1357 O ALA A 89 3.074 6.953 3.344 1.00 0.00 O ATOM 1358 CB ALA A 89 2.361 4.224 4.474 1.00 0.00 C ATOM 0 H ALA A 89 0.828 6.741 4.567 1.00 0.00 H new ATOM 0 HA ALA A 89 2.850 5.399 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.362 3.804 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.735 3.539 5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.928 4.370 3.485 1.00 0.00 H new ATOM 1364 N LYS A 90 4.511 6.819 5.069 1.00 0.00 N ATOM 1365 CA LYS A 90 5.490 7.715 4.466 1.00 0.00 C ATOM 1366 C LYS A 90 6.584 6.926 3.753 1.00 0.00 C ATOM 1367 O LYS A 90 7.086 5.931 4.275 1.00 0.00 O ATOM 1368 CB LYS A 90 6.112 8.618 5.534 1.00 0.00 C ATOM 1369 CG LYS A 90 5.112 9.545 6.204 1.00 0.00 C ATOM 1370 CD LYS A 90 5.756 10.343 7.325 1.00 0.00 C ATOM 1371 CE LYS A 90 5.921 9.503 8.583 1.00 0.00 C ATOM 1372 NZ LYS A 90 6.599 10.261 9.671 1.00 0.00 N ATOM 0 H LYS A 90 4.776 6.462 5.987 1.00 0.00 H new ATOM 0 HA LYS A 90 4.974 8.333 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.584 7.996 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.900 9.216 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.694 10.227 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.283 8.960 6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.730 10.709 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.145 11.218 7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.942 9.170 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.498 8.608 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.693 9.654 10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.543 10.558 9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.035 11.101 9.912 1.00 0.00 H new ATOM 1386 N VAL A 91 6.949 7.377 2.557 1.00 0.00 N ATOM 1387 CA VAL A 91 7.985 6.715 1.774 1.00 0.00 C ATOM 1388 C VAL A 91 9.050 7.707 1.320 1.00 0.00 C ATOM 1389 O VAL A 91 8.815 8.915 1.287 1.00 0.00 O ATOM 1390 CB VAL A 91 7.392 6.014 0.537 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.061 4.563 0.853 1.00 0.00 C ATOM 1392 CG2 VAL A 91 6.158 6.756 0.046 1.00 0.00 C ATOM 0 H VAL A 91 6.542 8.198 2.109 1.00 0.00 H new ATOM 0 HA VAL A 91 8.442 5.967 2.422 1.00 0.00 H new ATOM 0 HB VAL A 91 8.137 6.027 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.643 4.084 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.969 4.040 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.334 4.524 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.752 6.248 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.407 6.776 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.430 7.777 -0.222 1.00 0.00 H new ATOM 1402 N HIS A 92 10.224 7.189 0.971 1.00 0.00 N ATOM 1403 CA HIS A 92 11.326 8.030 0.518 1.00 0.00 C ATOM 1404 C HIS A 92 12.262 7.250 -0.401 1.00 0.00 C ATOM 1405 O HIS A 92 12.751 6.179 -0.041 1.00 0.00 O ATOM 1406 CB HIS A 92 12.105 8.575 1.715 1.00 0.00 C ATOM 1407 CG HIS A 92 11.271 9.400 2.647 1.00 0.00 C ATOM 1408 ND1 HIS A 92 10.750 10.629 2.302 1.00 0.00 N ATOM 1409 CD2 HIS A 92 10.868 9.165 3.917 1.00 0.00 C ATOM 1410 CE1 HIS A 92 10.064 11.116 3.320 1.00 0.00 C ATOM 1411 NE2 HIS A 92 10.119 10.246 4.313 1.00 0.00 N ATOM 0 H HIS A 92 10.436 6.192 0.993 1.00 0.00 H new ATOM 0 HA HIS A 92 10.907 8.865 -0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 92 12.536 7.740 2.268 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.936 9.180 1.352 1.00 0.00 H new ATOM 0 HD2 HIS A 92 11.093 8.290 4.509 1.00 0.00 H new ATOM 0 HE1 HIS A 92 9.546 12.064 3.338 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.677 10.359 5.225 1.00 0.00 H new ATOM 1420 N VAL A 93 12.506 7.794 -1.589 1.00 0.00 N ATOM 1421 CA VAL A 93 13.384 7.149 -2.558 1.00 0.00 C ATOM 1422 C VAL A 93 14.774 7.774 -2.542 1.00 0.00 C ATOM 1423 O VAL A 93 14.917 8.991 -2.415 1.00 0.00 O ATOM 1424 CB VAL A 93 12.808 7.241 -3.984 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.798 8.685 -4.464 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.602 6.360 -4.937 1.00 0.00 C ATOM 0 H VAL A 93 12.108 8.679 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 93 13.458 6.100 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 93 11.779 6.882 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.388 8.730 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.183 9.287 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.816 9.074 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.181 6.437 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.642 6.687 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.552 5.324 -4.602 1.00 0.00 H new ATOM 1436 N ILE A 94 15.796 6.935 -2.672 1.00 0.00 N ATOM 1437 CA ILE A 94 17.175 7.405 -2.674 1.00 0.00 C ATOM 1438 C ILE A 94 17.687 7.602 -4.097 1.00 0.00 C ATOM 1439 O ILE A 94 17.636 6.687 -4.918 1.00 0.00 O ATOM 1440 CB ILE A 94 18.106 6.424 -1.937 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.589 6.163 -0.520 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.526 6.969 -1.896 1.00 0.00 C ATOM 1443 CD1 ILE A 94 18.330 5.058 0.199 1.00 0.00 C ATOM 0 H ILE A 94 15.694 5.926 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 94 17.182 8.362 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 94 18.116 5.479 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.668 7.081 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.531 5.907 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.171 6.264 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.892 7.108 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.534 7.926 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.911 4.928 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.229 4.128 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 94 19.385 5.320 0.280 1.00 0.00 H new ATOM 1455 N SER A 95 18.182 8.803 -4.381 1.00 0.00 N ATOM 1456 CA SER A 95 18.702 9.121 -5.705 1.00 0.00 C ATOM 1457 C SER A 95 20.199 8.836 -5.784 1.00 0.00 C ATOM 1458 O SER A 95 20.817 8.429 -4.802 1.00 0.00 O ATOM 1459 CB SER A 95 18.432 10.588 -6.043 1.00 0.00 C ATOM 1460 OG SER A 95 19.121 11.451 -5.155 1.00 0.00 O ATOM 0 H SER A 95 18.234 9.571 -3.712 1.00 0.00 H new ATOM 0 HA SER A 95 18.191 8.488 -6.431 1.00 0.00 H new ATOM 0 HB2 SER A 95 18.743 10.792 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.361 10.786 -5.990 1.00 0.00 H new ATOM 0 HG SER A 95 18.933 12.383 -5.393 1.00 0.00 H new ATOM 1466 N GLY A 96 20.775 9.054 -6.963 1.00 0.00 N ATOM 1467 CA GLY A 96 22.194 8.815 -7.150 1.00 0.00 C ATOM 1468 C GLY A 96 22.525 8.359 -8.557 1.00 0.00 C ATOM 1469 O GLY A 96 21.760 8.573 -9.498 1.00 0.00 O ATOM 0 H GLY A 96 20.284 9.392 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 96 22.745 9.729 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 96 22.529 8.060 -6.439 1.00 0.00 H new ATOM 1473 N PRO A 97 23.691 7.715 -8.716 1.00 0.00 N ATOM 1474 CA PRO A 97 24.148 7.215 -10.016 1.00 0.00 C ATOM 1475 C PRO A 97 23.317 6.035 -10.508 1.00 0.00 C ATOM 1476 O PRO A 97 23.403 4.934 -9.966 1.00 0.00 O ATOM 1477 CB PRO A 97 25.589 6.776 -9.740 1.00 0.00 C ATOM 1478 CG PRO A 97 25.619 6.470 -8.282 1.00 0.00 C ATOM 1479 CD PRO A 97 24.652 7.425 -7.639 1.00 0.00 C ATOM 0 HA PRO A 97 24.060 7.970 -10.797 1.00 0.00 H new ATOM 0 HB2 PRO A 97 25.857 5.902 -10.334 1.00 0.00 H new ATOM 0 HB3 PRO A 97 26.298 7.564 -9.994 1.00 0.00 H new ATOM 0 HG2 PRO A 97 25.330 5.436 -8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 97 26.623 6.599 -7.877 1.00 0.00 H new ATOM 0 HD2 PRO A 97 24.163 6.979 -6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 97 25.151 8.330 -7.292 1.00 0.00 H new ATOM 1487 N SER A 98 22.513 6.274 -11.540 1.00 0.00 N ATOM 1488 CA SER A 98 21.664 5.231 -12.104 1.00 0.00 C ATOM 1489 C SER A 98 22.357 3.873 -12.042 1.00 0.00 C ATOM 1490 O SER A 98 21.871 2.945 -11.396 1.00 0.00 O ATOM 1491 CB SER A 98 21.301 5.566 -13.552 1.00 0.00 C ATOM 1492 OG SER A 98 20.718 4.451 -14.203 1.00 0.00 O ATOM 0 H SER A 98 22.432 7.180 -12.002 1.00 0.00 H new ATOM 0 HA SER A 98 20.751 5.181 -11.511 1.00 0.00 H new ATOM 0 HB2 SER A 98 20.607 6.406 -13.571 1.00 0.00 H new ATOM 0 HB3 SER A 98 22.195 5.879 -14.091 1.00 0.00 H new ATOM 0 HG SER A 98 20.494 4.692 -15.126 1.00 0.00 H new ATOM 1498 N SER A 99 23.495 3.766 -12.720 1.00 0.00 N ATOM 1499 CA SER A 99 24.255 2.521 -12.746 1.00 0.00 C ATOM 1500 C SER A 99 25.158 2.410 -11.522 1.00 0.00 C ATOM 1501 O SER A 99 26.321 2.809 -11.556 1.00 0.00 O ATOM 1502 CB SER A 99 25.094 2.439 -14.023 1.00 0.00 C ATOM 1503 OG SER A 99 24.279 2.547 -15.177 1.00 0.00 O ATOM 0 H SER A 99 23.911 4.526 -13.259 1.00 0.00 H new ATOM 0 HA SER A 99 23.548 1.691 -12.730 1.00 0.00 H new ATOM 0 HB2 SER A 99 25.839 3.235 -14.024 1.00 0.00 H new ATOM 0 HB3 SER A 99 25.637 1.494 -14.045 1.00 0.00 H new ATOM 0 HG SER A 99 24.839 2.493 -15.979 1.00 0.00 H new ATOM 1509 N GLY A 100 24.612 1.864 -10.439 1.00 0.00 N ATOM 1510 CA GLY A 100 25.381 1.709 -9.218 1.00 0.00 C ATOM 1511 C GLY A 100 26.042 0.348 -9.118 1.00 0.00 C ATOM 1512 O GLY A 100 26.005 -0.291 -8.067 1.00 0.00 O ATOM 0 H GLY A 100 23.651 1.526 -10.386 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.145 2.485 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 100 24.726 1.856 -8.359 1.00 0.00 H new TER 1516 GLY A 100