USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 929 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 69 SER OG : rot 21:sc= -0.296 USER MOD Set 1.2: A 112 TYR OH : rot 180:sc= -0.696 USER MOD Set 2.1: A 74 ASN : amide:sc= -1.78 K(o=-1.9,f=-5.5!) USER MOD Set 2.2: A 105 ASN : amide:sc= -0.158 K(o=-1.9,f=-4.1!) USER MOD Set 3.1: A 87 TYR OH : rot 180:sc= -0.879 USER MOD Set 3.2: A 89 THR OG1 : rot -170:sc= 0 USER MOD Set 4.1: A 34 SER OG : rot 58:sc= 0.913 USER MOD Set 4.2: A 41 GLN : amide:sc= -1.5 K(o=-0.59,f=-1.2) USER MOD Single : A 1 ASN : amide:sc= 0.0363 K(o=0.036,f=-1.6) USER MOD Single : A 1 ASN N :NH3+ -174:sc= 0.0508 (180deg=-0.055) USER MOD Single : A 5 ASN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -148:sc= 0.689 USER MOD Single : A 10 THR OG1 : rot 143:sc= 0.815 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.336 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.13) USER MOD Single : A 30 THR OG1 : rot -73:sc= 0.54 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 130:sc= -0.722 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.672 K(o=-0.67,f=-1.4) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 51 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.6) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.63 K(o=-2.6,f=-6.8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -41:sc= 0.109 USER MOD Single : A 68 TYR OH : rot 33:sc=0.000895 USER MOD Single : A 71 GLN : amide:sc= -0.621 K(o=-0.62,f=-4.1) USER MOD Single : A 73 SER OG : rot 171:sc= 1.66 USER MOD Single : A 76 SER OG : rot -160:sc= 0.00511 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 36:sc= 0.0138 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -160:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.593) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -150:sc= -1.43 USER MOD Single : A 118 THR OG1 : rot 174:sc= -1.39 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -55:sc= -1.43 USER MOD Single : A 123 SER OG : rot -159:sc= -1.36 USER MOD Single : A 130 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -10.506 -12.170 -14.822 1.00 0.00 N ATOM 2 CA ASN A 1 -10.874 -10.914 -15.466 1.00 0.00 C ATOM 3 C ASN A 1 -9.810 -9.848 -15.226 1.00 0.00 C ATOM 4 O ASN A 1 -9.971 -8.977 -14.372 1.00 0.00 O ATOM 5 CB ASN A 1 -12.228 -10.427 -14.944 1.00 0.00 C ATOM 6 CG ASN A 1 -13.334 -11.438 -15.175 1.00 0.00 C ATOM 7 OD1 ASN A 1 -13.190 -12.362 -15.977 1.00 0.00 O ATOM 8 ND2 ASN A 1 -14.447 -11.268 -14.471 1.00 0.00 N ATOM 0 H1 ASN A 1 -11.191 -12.908 -15.082 1.00 0.00 H new ATOM 0 H2 ASN A 1 -9.556 -12.455 -15.134 1.00 0.00 H new ATOM 0 H3 ASN A 1 -10.508 -12.044 -13.790 1.00 0.00 H new ATOM 0 HA ASN A 1 -10.949 -11.092 -16.539 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.149 -10.217 -13.877 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.488 -9.489 -15.435 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -15.226 -11.917 -14.584 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -14.523 -10.488 -13.818 1.00 0.00 H new ATOM 15 N LEU A 2 -8.724 -9.923 -15.988 1.00 0.00 N ATOM 16 CA LEU A 2 -7.632 -8.963 -15.859 1.00 0.00 C ATOM 17 C LEU A 2 -7.092 -8.941 -14.434 1.00 0.00 C ATOM 18 O LEU A 2 -7.366 -8.016 -13.669 1.00 0.00 O ATOM 19 CB LEU A 2 -8.107 -7.565 -16.260 1.00 0.00 C ATOM 20 CG LEU A 2 -8.476 -7.378 -17.731 1.00 0.00 C ATOM 21 CD1 LEU A 2 -9.970 -7.578 -17.936 1.00 0.00 C ATOM 22 CD2 LEU A 2 -8.051 -6.000 -18.217 1.00 0.00 C ATOM 0 H LEU A 2 -8.576 -10.637 -16.701 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.828 -9.272 -16.527 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.976 -7.310 -15.653 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.323 -6.851 -16.009 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.945 -8.128 -18.317 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.214 -7.441 -18.989 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.248 -8.586 -17.627 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.520 -6.851 -17.338 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.322 -5.885 -19.267 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.554 -5.235 -17.626 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.972 -5.892 -18.107 1.00 0.00 H new ATOM 34 N ALA A 3 -6.321 -9.965 -14.082 1.00 0.00 N ATOM 35 CA ALA A 3 -5.738 -10.061 -12.749 1.00 0.00 C ATOM 36 C ALA A 3 -4.499 -10.949 -12.754 1.00 0.00 C ATOM 37 O ALA A 3 -4.384 -11.866 -13.568 1.00 0.00 O ATOM 38 CB ALA A 3 -6.766 -10.590 -11.760 1.00 0.00 C ATOM 0 H ALA A 3 -6.086 -10.740 -14.702 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.434 -9.061 -12.440 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.317 -10.656 -10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.620 -9.914 -11.727 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.098 -11.579 -12.075 1.00 0.00 H new ATOM 44 N LEU A 4 -3.574 -10.672 -11.842 1.00 0.00 N ATOM 45 CA LEU A 4 -2.342 -11.446 -11.742 1.00 0.00 C ATOM 46 C LEU A 4 -2.014 -11.761 -10.285 1.00 0.00 C ATOM 47 O LEU A 4 -2.811 -11.493 -9.388 1.00 0.00 O ATOM 48 CB LEU A 4 -1.183 -10.682 -12.384 1.00 0.00 C ATOM 49 CG LEU A 4 -0.578 -11.312 -13.639 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.556 -10.452 -14.175 1.00 0.00 C ATOM 51 CD2 LEU A 4 -0.086 -12.722 -13.344 1.00 0.00 C ATOM 0 H LEU A 4 -3.654 -9.917 -11.161 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.488 -12.386 -12.274 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.530 -9.680 -12.636 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.393 -10.569 -11.642 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.354 -11.371 -14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.974 -10.916 -15.068 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.175 -9.462 -14.425 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.333 -10.360 -13.416 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.341 -13.155 -14.248 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.675 -12.686 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.921 -13.336 -13.008 1.00 0.00 H new ATOM 63 N ASN A 5 -0.834 -12.329 -10.059 1.00 0.00 N ATOM 64 CA ASN A 5 -0.400 -12.679 -8.712 1.00 0.00 C ATOM 65 C ASN A 5 -0.318 -11.439 -7.828 1.00 0.00 C ATOM 66 O ASN A 5 -0.306 -11.537 -6.601 1.00 0.00 O ATOM 67 CB ASN A 5 0.962 -13.376 -8.758 1.00 0.00 C ATOM 68 CG ASN A 5 0.872 -14.846 -8.395 1.00 0.00 C ATOM 69 OD1 ASN A 5 1.634 -15.339 -7.564 1.00 0.00 O ATOM 70 ND2 ASN A 5 -0.064 -15.552 -9.019 1.00 0.00 N ATOM 0 H ASN A 5 -0.161 -12.557 -10.791 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.136 -13.360 -8.285 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.384 -13.277 -9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.646 -12.876 -8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.173 -16.546 -8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.674 -15.101 -9.701 1.00 0.00 H new ATOM 77 N LYS A 6 -0.266 -10.271 -8.460 1.00 0.00 N ATOM 78 CA LYS A 6 -0.190 -9.010 -7.731 1.00 0.00 C ATOM 79 C LYS A 6 -1.413 -8.820 -6.841 1.00 0.00 C ATOM 80 O LYS A 6 -1.328 -8.936 -5.619 1.00 0.00 O ATOM 81 CB LYS A 6 -0.070 -7.839 -8.709 1.00 0.00 C ATOM 82 CG LYS A 6 1.252 -7.097 -8.612 1.00 0.00 C ATOM 83 CD LYS A 6 2.305 -7.710 -9.520 1.00 0.00 C ATOM 84 CE LYS A 6 3.212 -8.663 -8.756 1.00 0.00 C ATOM 85 NZ LYS A 6 3.599 -9.841 -9.581 1.00 0.00 N ATOM 0 H LYS A 6 -0.275 -10.171 -9.475 1.00 0.00 H new ATOM 0 HA LYS A 6 0.696 -9.039 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.194 -8.212 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.884 -7.138 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.103 -6.051 -8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.605 -7.114 -7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.818 -8.245 -10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.904 -6.919 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.109 -8.133 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.704 -9.003 -7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.217 -10.466 -9.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.745 -10.362 -9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.106 -9.519 -10.430 1.00 0.00 H new ATOM 99 N ALA A 7 -2.552 -8.529 -7.462 1.00 0.00 N ATOM 100 CA ALA A 7 -3.793 -8.327 -6.727 1.00 0.00 C ATOM 101 C ALA A 7 -3.702 -7.103 -5.820 1.00 0.00 C ATOM 102 O ALA A 7 -2.864 -7.046 -4.919 1.00 0.00 O ATOM 103 CB ALA A 7 -4.131 -9.566 -5.911 1.00 0.00 C ATOM 0 H ALA A 7 -2.640 -8.428 -8.473 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.590 -8.153 -7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.061 -9.401 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.248 -10.420 -6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.327 -9.766 -5.203 1.00 0.00 H new ATOM 109 N THR A 8 -4.567 -6.125 -6.065 1.00 0.00 N ATOM 110 CA THR A 8 -4.583 -4.902 -5.272 1.00 0.00 C ATOM 111 C THR A 8 -6.009 -4.411 -5.046 1.00 0.00 C ATOM 112 O THR A 8 -6.906 -4.694 -5.840 1.00 0.00 O ATOM 113 CB THR A 8 -3.769 -3.783 -5.950 1.00 0.00 C ATOM 114 OG1 THR A 8 -4.635 -2.941 -6.717 1.00 0.00 O ATOM 115 CG2 THR A 8 -2.692 -4.369 -6.853 1.00 0.00 C ATOM 0 H THR A 8 -5.266 -6.156 -6.807 1.00 0.00 H new ATOM 0 HA THR A 8 -4.128 -5.142 -4.311 1.00 0.00 H new ATOM 0 HB THR A 8 -3.287 -3.192 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.150 -2.594 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.130 -3.561 -7.321 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.016 -4.985 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.158 -4.981 -7.625 1.00 0.00 H new ATOM 123 N ALA A 9 -6.210 -3.674 -3.959 1.00 0.00 N ATOM 124 CA ALA A 9 -7.526 -3.141 -3.631 1.00 0.00 C ATOM 125 C ALA A 9 -7.412 -1.872 -2.793 1.00 0.00 C ATOM 126 O ALA A 9 -6.543 -1.763 -1.927 1.00 0.00 O ATOM 127 CB ALA A 9 -8.350 -4.188 -2.896 1.00 0.00 C ATOM 0 H ALA A 9 -5.478 -3.432 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.030 -2.885 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.331 -3.777 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.470 -5.067 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.841 -4.471 -1.975 1.00 0.00 H new ATOM 133 N THR A 10 -8.293 -0.912 -3.056 1.00 0.00 N ATOM 134 CA THR A 10 -8.290 0.350 -2.328 1.00 0.00 C ATOM 135 C THR A 10 -9.710 0.812 -2.021 1.00 0.00 C ATOM 136 O THR A 10 -10.681 0.209 -2.478 1.00 0.00 O ATOM 137 CB THR A 10 -7.563 1.453 -3.120 1.00 0.00 C ATOM 138 OG1 THR A 10 -8.517 2.296 -3.774 1.00 0.00 O ATOM 139 CG2 THR A 10 -6.621 0.849 -4.150 1.00 0.00 C ATOM 0 H THR A 10 -9.019 -0.985 -3.769 1.00 0.00 H new ATOM 0 HA THR A 10 -7.759 0.174 -1.393 1.00 0.00 H new ATOM 0 HB THR A 10 -6.976 2.046 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.198 3.223 -3.760 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.119 1.647 -4.697 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.878 0.232 -3.645 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.190 0.234 -4.847 1.00 0.00 H new ATOM 147 N SER A 11 -9.823 1.885 -1.245 1.00 0.00 N ATOM 148 CA SER A 11 -11.126 2.426 -0.876 1.00 0.00 C ATOM 149 C SER A 11 -11.572 3.495 -1.869 1.00 0.00 C ATOM 150 O SER A 11 -12.741 3.556 -2.249 1.00 0.00 O ATOM 151 CB SER A 11 -11.075 3.014 0.536 1.00 0.00 C ATOM 152 OG SER A 11 -12.133 3.934 0.744 1.00 0.00 O ATOM 0 H SER A 11 -9.029 2.397 -0.860 1.00 0.00 H new ATOM 0 HA SER A 11 -11.850 1.611 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.138 2.211 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.119 3.514 0.691 1.00 0.00 H new ATOM 0 HG SER A 11 -12.079 4.294 1.654 1.00 0.00 H new ATOM 158 N SER A 12 -10.631 4.338 -2.284 1.00 0.00 N ATOM 159 CA SER A 12 -10.927 5.408 -3.230 1.00 0.00 C ATOM 160 C SER A 12 -10.145 5.218 -4.527 1.00 0.00 C ATOM 161 O SER A 12 -9.008 4.743 -4.515 1.00 0.00 O ATOM 162 CB SER A 12 -10.593 6.768 -2.615 1.00 0.00 C ATOM 163 OG SER A 12 -11.688 7.660 -2.727 1.00 0.00 O ATOM 0 H SER A 12 -9.658 4.301 -1.980 1.00 0.00 H new ATOM 0 HA SER A 12 -11.992 5.373 -3.459 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.329 6.641 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.722 7.192 -3.114 1.00 0.00 H new ATOM 0 HG SER A 12 -11.450 8.522 -2.325 1.00 0.00 H new ATOM 169 N ILE A 13 -10.762 5.591 -5.642 1.00 0.00 N ATOM 170 CA ILE A 13 -10.125 5.463 -6.947 1.00 0.00 C ATOM 171 C ILE A 13 -10.699 6.468 -7.940 1.00 0.00 C ATOM 172 O ILE A 13 -11.875 6.821 -7.869 1.00 0.00 O ATOM 173 CB ILE A 13 -10.290 4.042 -7.518 1.00 0.00 C ATOM 174 CG1 ILE A 13 -9.533 3.909 -8.840 1.00 0.00 C ATOM 175 CG2 ILE A 13 -11.764 3.716 -7.709 1.00 0.00 C ATOM 176 CD1 ILE A 13 -9.495 2.495 -9.376 1.00 0.00 C ATOM 0 H ILE A 13 -11.703 5.985 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.064 5.666 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.870 3.330 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.998 4.558 -9.582 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.512 4.264 -8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.864 2.709 -8.113 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.277 3.775 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.208 4.431 -8.402 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.942 2.477 -10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.003 1.845 -8.653 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.512 2.143 -9.547 1.00 0.00 H new ATOM 188 N GLU A 14 -9.861 6.923 -8.866 1.00 0.00 N ATOM 189 CA GLU A 14 -10.286 7.886 -9.874 1.00 0.00 C ATOM 190 C GLU A 14 -11.345 7.281 -10.791 1.00 0.00 C ATOM 191 O GLU A 14 -12.410 7.863 -10.999 1.00 0.00 O ATOM 192 CB GLU A 14 -9.087 8.356 -10.701 1.00 0.00 C ATOM 193 CG GLU A 14 -8.189 9.337 -9.967 1.00 0.00 C ATOM 194 CD GLU A 14 -7.857 10.560 -10.800 1.00 0.00 C ATOM 195 OE1 GLU A 14 -6.873 10.506 -11.566 1.00 0.00 O ATOM 196 OE2 GLU A 14 -8.581 11.571 -10.686 1.00 0.00 O ATOM 0 H GLU A 14 -8.884 6.640 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.721 8.743 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.498 7.488 -10.997 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.449 8.823 -11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.678 9.652 -9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.265 8.834 -9.682 1.00 0.00 H new ATOM 203 N THR A 15 -11.044 6.108 -11.341 1.00 0.00 N ATOM 204 CA THR A 15 -11.966 5.425 -12.237 1.00 0.00 C ATOM 205 C THR A 15 -12.989 4.608 -11.456 1.00 0.00 C ATOM 206 O THR A 15 -13.096 4.733 -10.236 1.00 0.00 O ATOM 207 CB THR A 15 -11.218 4.494 -13.210 1.00 0.00 C ATOM 208 OG1 THR A 15 -12.083 4.113 -14.287 1.00 0.00 O ATOM 209 CG2 THR A 15 -10.718 3.250 -12.492 1.00 0.00 C ATOM 0 H THR A 15 -10.167 5.612 -11.180 1.00 0.00 H new ATOM 0 HA THR A 15 -12.481 6.197 -12.808 1.00 0.00 H new ATOM 0 HB THR A 15 -10.359 5.035 -13.608 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.599 3.523 -14.902 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.193 2.608 -13.199 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.037 3.541 -11.692 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.565 2.709 -12.070 1.00 0.00 H new ATOM 217 N ALA A 16 -13.739 3.772 -12.166 1.00 0.00 N ATOM 218 CA ALA A 16 -14.751 2.932 -11.538 1.00 0.00 C ATOM 219 C ALA A 16 -14.162 1.596 -11.101 1.00 0.00 C ATOM 220 O ALA A 16 -14.739 0.539 -11.354 1.00 0.00 O ATOM 221 CB ALA A 16 -15.918 2.711 -12.488 1.00 0.00 C ATOM 0 H ALA A 16 -13.665 3.658 -13.177 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.114 3.447 -10.649 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.666 2.082 -12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.364 3.672 -12.746 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.562 2.221 -13.394 1.00 0.00 H new ATOM 227 N GLY A 17 -13.009 1.649 -10.442 1.00 0.00 N ATOM 228 CA GLY A 17 -12.359 0.436 -9.981 1.00 0.00 C ATOM 229 C GLY A 17 -11.770 -0.375 -11.118 1.00 0.00 C ATOM 230 O GLY A 17 -12.482 -1.118 -11.794 1.00 0.00 O ATOM 0 H GLY A 17 -12.513 2.512 -10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.569 0.696 -9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.080 -0.175 -9.439 1.00 0.00 H new ATOM 234 N HIS A 18 -10.466 -0.230 -11.332 1.00 0.00 N ATOM 235 CA HIS A 18 -9.781 -0.954 -12.397 1.00 0.00 C ATOM 236 C HIS A 18 -8.309 -0.561 -12.461 1.00 0.00 C ATOM 237 O HIS A 18 -7.461 -1.358 -12.862 1.00 0.00 O ATOM 238 CB HIS A 18 -10.453 -0.680 -13.742 1.00 0.00 C ATOM 239 CG HIS A 18 -10.895 -1.922 -14.454 1.00 0.00 C ATOM 240 ND1 HIS A 18 -12.215 -2.311 -14.541 1.00 0.00 N ATOM 241 CD2 HIS A 18 -10.183 -2.861 -15.119 1.00 0.00 C ATOM 242 CE1 HIS A 18 -12.295 -3.439 -15.224 1.00 0.00 C ATOM 243 NE2 HIS A 18 -11.076 -3.794 -15.588 1.00 0.00 N ATOM 0 H HIS A 18 -9.863 0.382 -10.782 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.845 -2.020 -12.178 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.317 -0.035 -13.583 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.760 -0.132 -14.380 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.112 -2.875 -15.256 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.203 -3.979 -15.447 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.837 -4.625 -16.129 1.00 0.00 H new ATOM 251 N GLU A 19 -8.012 0.672 -12.063 1.00 0.00 N ATOM 252 CA GLU A 19 -6.642 1.170 -12.078 1.00 0.00 C ATOM 253 C GLU A 19 -5.772 0.400 -11.088 1.00 0.00 C ATOM 254 O GLU A 19 -4.554 0.324 -11.244 1.00 0.00 O ATOM 255 CB GLU A 19 -6.614 2.663 -11.742 1.00 0.00 C ATOM 256 CG GLU A 19 -5.740 3.482 -12.677 1.00 0.00 C ATOM 257 CD GLU A 19 -6.345 3.629 -14.060 1.00 0.00 C ATOM 258 OE1 GLU A 19 -7.441 3.078 -14.291 1.00 0.00 O ATOM 259 OE2 GLU A 19 -5.722 4.298 -14.911 1.00 0.00 O ATOM 0 H GLU A 19 -8.702 1.344 -11.726 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.241 1.022 -13.081 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.631 3.053 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.257 2.790 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.581 4.471 -12.247 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.761 3.010 -12.761 1.00 0.00 H new ATOM 266 N GLY A 20 -6.408 -0.172 -10.071 1.00 0.00 N ATOM 267 CA GLY A 20 -5.678 -0.929 -9.070 1.00 0.00 C ATOM 268 C GLY A 20 -5.120 -2.228 -9.619 1.00 0.00 C ATOM 269 O GLY A 20 -4.038 -2.662 -9.224 1.00 0.00 O ATOM 0 H GLY A 20 -7.416 -0.125 -9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.860 -0.321 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.338 -1.147 -8.230 1.00 0.00 H new ATOM 273 N ASP A 21 -5.861 -2.849 -10.530 1.00 0.00 N ATOM 274 CA ASP A 21 -5.435 -4.106 -11.134 1.00 0.00 C ATOM 275 C ASP A 21 -4.287 -3.878 -12.113 1.00 0.00 C ATOM 276 O ASP A 21 -3.690 -4.827 -12.620 1.00 0.00 O ATOM 277 CB ASP A 21 -6.608 -4.777 -11.851 1.00 0.00 C ATOM 278 CG ASP A 21 -7.925 -4.557 -11.134 1.00 0.00 C ATOM 279 OD1 ASP A 21 -7.947 -4.647 -9.889 1.00 0.00 O ATOM 280 OD2 ASP A 21 -8.936 -4.294 -11.819 1.00 0.00 O ATOM 0 H ASP A 21 -6.759 -2.503 -10.866 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.084 -4.762 -10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.681 -4.387 -12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.416 -5.847 -11.933 1.00 0.00 H new ATOM 285 N LYS A 22 -3.985 -2.611 -12.376 1.00 0.00 N ATOM 286 CA LYS A 22 -2.909 -2.256 -13.295 1.00 0.00 C ATOM 287 C LYS A 22 -1.562 -2.742 -12.769 1.00 0.00 C ATOM 288 O LYS A 22 -0.585 -2.815 -13.513 1.00 0.00 O ATOM 289 CB LYS A 22 -2.870 -0.740 -13.504 1.00 0.00 C ATOM 290 CG LYS A 22 -4.146 -0.176 -14.103 1.00 0.00 C ATOM 291 CD LYS A 22 -4.106 -0.194 -15.622 1.00 0.00 C ATOM 292 CE LYS A 22 -3.150 0.856 -16.166 1.00 0.00 C ATOM 293 NZ LYS A 22 -3.217 0.950 -17.651 1.00 0.00 N ATOM 0 H LYS A 22 -4.470 -1.813 -11.966 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.104 -2.744 -14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.682 -0.254 -12.546 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.032 -0.493 -14.156 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.000 -0.756 -13.754 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.291 0.846 -13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.799 -1.181 -15.967 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.107 -0.016 -16.016 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.389 1.826 -15.729 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.132 0.612 -15.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.551 1.676 -17.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.964 0.032 -18.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.182 1.208 -17.939 1.00 0.00 H new ATOM 307 N ALA A 23 -1.519 -3.075 -11.483 1.00 0.00 N ATOM 308 CA ALA A 23 -0.293 -3.557 -10.860 1.00 0.00 C ATOM 309 C ALA A 23 0.067 -4.951 -11.364 1.00 0.00 C ATOM 310 O ALA A 23 1.163 -5.451 -11.108 1.00 0.00 O ATOM 311 CB ALA A 23 -0.437 -3.562 -9.345 1.00 0.00 C ATOM 0 H ALA A 23 -2.319 -3.020 -10.853 1.00 0.00 H new ATOM 0 HA ALA A 23 0.516 -2.880 -11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.486 -3.924 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.639 -2.550 -8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.261 -4.216 -9.060 1.00 0.00 H new ATOM 317 N VAL A 24 -0.863 -5.574 -12.080 1.00 0.00 N ATOM 318 CA VAL A 24 -0.644 -6.911 -12.620 1.00 0.00 C ATOM 319 C VAL A 24 0.741 -7.029 -13.249 1.00 0.00 C ATOM 320 O VAL A 24 1.473 -7.983 -12.987 1.00 0.00 O ATOM 321 CB VAL A 24 -1.706 -7.272 -13.674 1.00 0.00 C ATOM 322 CG1 VAL A 24 -3.030 -7.610 -13.004 1.00 0.00 C ATOM 323 CG2 VAL A 24 -1.877 -6.134 -14.669 1.00 0.00 C ATOM 0 H VAL A 24 -1.775 -5.175 -12.300 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.722 -7.606 -11.784 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.367 -8.153 -14.219 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.769 -7.863 -13.765 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.893 -8.460 -12.335 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.378 -6.750 -12.432 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.632 -6.406 -15.407 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.193 -5.234 -14.142 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.929 -5.945 -15.172 1.00 0.00 H new ATOM 333 N ASP A 25 1.093 -6.053 -14.078 1.00 0.00 N ATOM 334 CA ASP A 25 2.390 -6.046 -14.744 1.00 0.00 C ATOM 335 C ASP A 25 3.518 -6.258 -13.739 1.00 0.00 C ATOM 336 O ASP A 25 4.430 -7.049 -13.973 1.00 0.00 O ATOM 337 CB ASP A 25 2.597 -4.727 -15.490 1.00 0.00 C ATOM 338 CG ASP A 25 2.906 -4.935 -16.959 1.00 0.00 C ATOM 339 OD1 ASP A 25 3.910 -5.611 -17.264 1.00 0.00 O ATOM 340 OD2 ASP A 25 2.143 -4.421 -17.804 1.00 0.00 O ATOM 0 H ASP A 25 0.498 -5.256 -14.305 1.00 0.00 H new ATOM 0 HA ASP A 25 2.407 -6.867 -15.461 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.701 -4.114 -15.394 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.413 -4.174 -15.025 1.00 0.00 H new ATOM 345 N GLY A 26 3.448 -5.546 -12.619 1.00 0.00 N ATOM 346 CA GLY A 26 4.469 -5.670 -11.595 1.00 0.00 C ATOM 347 C GLY A 26 5.734 -4.910 -11.943 1.00 0.00 C ATOM 348 O GLY A 26 6.788 -5.142 -11.351 1.00 0.00 O ATOM 0 H GLY A 26 2.702 -4.885 -12.402 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.076 -5.301 -10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.709 -6.723 -11.452 1.00 0.00 H new ATOM 352 N ASN A 27 5.630 -4.000 -12.905 1.00 0.00 N ATOM 353 CA ASN A 27 6.776 -3.204 -13.333 1.00 0.00 C ATOM 354 C ASN A 27 6.392 -1.735 -13.483 1.00 0.00 C ATOM 355 O ASN A 27 5.326 -1.313 -13.037 1.00 0.00 O ATOM 356 CB ASN A 27 7.326 -3.737 -14.657 1.00 0.00 C ATOM 357 CG ASN A 27 8.841 -3.827 -14.659 1.00 0.00 C ATOM 358 OD1 ASN A 27 9.433 -4.506 -13.821 1.00 0.00 O ATOM 359 ND2 ASN A 27 9.473 -3.140 -15.603 1.00 0.00 N ATOM 0 H ASN A 27 4.764 -3.795 -13.404 1.00 0.00 H new ATOM 0 HA ASN A 27 7.549 -3.283 -12.568 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.906 -4.724 -14.851 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.002 -3.087 -15.470 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.491 -3.162 -15.654 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.940 -2.590 -16.277 1.00 0.00 H new ATOM 366 N ALA A 28 7.269 -0.963 -14.115 1.00 0.00 N ATOM 367 CA ALA A 28 7.021 0.459 -14.327 1.00 0.00 C ATOM 368 C ALA A 28 5.810 0.677 -15.228 1.00 0.00 C ATOM 369 O ALA A 28 5.288 1.787 -15.323 1.00 0.00 O ATOM 370 CB ALA A 28 8.252 1.126 -14.922 1.00 0.00 C ATOM 0 H ALA A 28 8.157 -1.297 -14.489 1.00 0.00 H new ATOM 0 HA ALA A 28 6.807 0.914 -13.360 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.053 2.187 -15.075 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.094 1.010 -14.240 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.492 0.660 -15.878 1.00 0.00 H new ATOM 376 N ALA A 29 5.370 -0.390 -15.887 1.00 0.00 N ATOM 377 CA ALA A 29 4.219 -0.315 -16.779 1.00 0.00 C ATOM 378 C ALA A 29 2.926 -0.133 -15.994 1.00 0.00 C ATOM 379 O ALA A 29 1.862 0.094 -16.571 1.00 0.00 O ATOM 380 CB ALA A 29 4.143 -1.562 -17.647 1.00 0.00 C ATOM 0 H ALA A 29 5.793 -1.316 -15.820 1.00 0.00 H new ATOM 0 HA ALA A 29 4.345 0.555 -17.423 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.279 -1.493 -18.308 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.051 -1.646 -18.244 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.044 -2.442 -17.012 1.00 0.00 H new ATOM 386 N THR A 30 3.023 -0.236 -14.672 1.00 0.00 N ATOM 387 CA THR A 30 1.860 -0.085 -13.806 1.00 0.00 C ATOM 388 C THR A 30 1.791 1.319 -13.216 1.00 0.00 C ATOM 389 O THR A 30 2.782 1.831 -12.694 1.00 0.00 O ATOM 390 CB THR A 30 1.876 -1.112 -12.659 1.00 0.00 C ATOM 391 OG1 THR A 30 2.802 -0.700 -11.646 1.00 0.00 O ATOM 392 CG2 THR A 30 2.259 -2.491 -13.172 1.00 0.00 C ATOM 0 H THR A 30 3.895 -0.423 -14.178 1.00 0.00 H new ATOM 0 HA THR A 30 0.981 -0.258 -14.426 1.00 0.00 H new ATOM 0 HB THR A 30 0.873 -1.166 -12.235 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.718 -0.830 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.263 -3.199 -12.343 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.537 -2.814 -13.922 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.252 -2.450 -13.619 1.00 0.00 H new ATOM 400 N ARG A 31 0.617 1.936 -13.302 1.00 0.00 N ATOM 401 CA ARG A 31 0.422 3.282 -12.777 1.00 0.00 C ATOM 402 C ARG A 31 -0.903 3.384 -12.027 1.00 0.00 C ATOM 403 O ARG A 31 -1.974 3.387 -12.636 1.00 0.00 O ATOM 404 CB ARG A 31 0.457 4.305 -13.913 1.00 0.00 C ATOM 405 CG ARG A 31 -0.422 3.935 -15.096 1.00 0.00 C ATOM 406 CD ARG A 31 0.404 3.429 -16.268 1.00 0.00 C ATOM 407 NE ARG A 31 0.372 4.353 -17.398 1.00 0.00 N ATOM 408 CZ ARG A 31 1.184 4.260 -18.446 1.00 0.00 C ATOM 409 NH1 ARG A 31 2.087 3.290 -18.505 1.00 0.00 N ATOM 410 NH2 ARG A 31 1.095 5.138 -19.436 1.00 0.00 N ATOM 0 H ARG A 31 -0.213 1.525 -13.730 1.00 0.00 H new ATOM 0 HA ARG A 31 1.233 3.496 -12.080 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.142 5.274 -13.527 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.485 4.418 -14.257 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.135 3.168 -14.795 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.001 4.805 -15.406 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.436 3.283 -15.948 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.027 2.456 -16.584 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.310 5.111 -17.382 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.159 2.614 -17.745 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.709 3.221 -19.310 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.403 5.886 -19.394 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.719 5.065 -20.240 1.00 0.00 H new ATOM 424 N TRP A 32 -0.823 3.468 -10.704 1.00 0.00 N ATOM 425 CA TRP A 32 -2.017 3.571 -9.871 1.00 0.00 C ATOM 426 C TRP A 32 -2.442 5.026 -9.706 1.00 0.00 C ATOM 427 O TRP A 32 -1.603 5.920 -9.609 1.00 0.00 O ATOM 428 CB TRP A 32 -1.761 2.942 -8.501 1.00 0.00 C ATOM 429 CG TRP A 32 -2.784 3.324 -7.473 1.00 0.00 C ATOM 430 CD1 TRP A 32 -2.561 3.988 -6.301 1.00 0.00 C ATOM 431 CD2 TRP A 32 -4.191 3.060 -7.525 1.00 0.00 C ATOM 432 NE1 TRP A 32 -3.743 4.153 -5.621 1.00 0.00 N ATOM 433 CE2 TRP A 32 -4.759 3.594 -6.352 1.00 0.00 C ATOM 434 CE3 TRP A 32 -5.026 2.428 -8.449 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -6.121 3.513 -6.081 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -6.379 2.348 -8.180 1.00 0.00 C ATOM 437 CH2 TRP A 32 -6.916 2.888 -7.004 1.00 0.00 C ATOM 0 H TRP A 32 0.055 3.467 -10.185 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.824 3.031 -10.366 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.747 1.857 -8.604 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.774 3.242 -8.150 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -1.597 4.333 -5.959 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.848 4.616 -4.718 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.621 2.009 -9.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.537 3.928 -5.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.033 1.861 -8.888 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.978 2.810 -6.822 1.00 0.00 H new ATOM 448 N ALA A 33 -3.751 5.255 -9.675 1.00 0.00 N ATOM 449 CA ALA A 33 -4.287 6.601 -9.520 1.00 0.00 C ATOM 450 C ALA A 33 -5.506 6.605 -8.605 1.00 0.00 C ATOM 451 O ALA A 33 -6.454 5.848 -8.816 1.00 0.00 O ATOM 452 CB ALA A 33 -4.641 7.188 -10.877 1.00 0.00 C ATOM 0 H ALA A 33 -4.459 4.525 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.518 7.220 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.040 8.194 -10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.747 7.231 -11.499 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.390 6.561 -11.361 1.00 0.00 H new ATOM 458 N SER A 34 -5.476 7.459 -7.587 1.00 0.00 N ATOM 459 CA SER A 34 -6.577 7.558 -6.637 1.00 0.00 C ATOM 460 C SER A 34 -7.135 8.977 -6.596 1.00 0.00 C ATOM 461 O SER A 34 -6.384 9.949 -6.526 1.00 0.00 O ATOM 462 CB SER A 34 -6.113 7.140 -5.241 1.00 0.00 C ATOM 463 OG SER A 34 -7.182 6.591 -4.490 1.00 0.00 O ATOM 0 H SER A 34 -4.700 8.093 -7.399 1.00 0.00 H new ATOM 0 HA SER A 34 -7.369 6.885 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.310 6.407 -5.326 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.703 8.003 -4.717 1.00 0.00 H new ATOM 0 HG SER A 34 -7.562 5.827 -4.972 1.00 0.00 H new ATOM 469 N ALA A 35 -8.459 9.087 -6.642 1.00 0.00 N ATOM 470 CA ALA A 35 -9.119 10.386 -6.608 1.00 0.00 C ATOM 471 C ALA A 35 -8.831 11.115 -5.300 1.00 0.00 C ATOM 472 O ALA A 35 -8.607 10.487 -4.265 1.00 0.00 O ATOM 473 CB ALA A 35 -10.619 10.221 -6.804 1.00 0.00 C ATOM 0 H ALA A 35 -9.095 8.292 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.721 10.989 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.099 11.199 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.810 9.750 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.023 9.596 -6.008 1.00 0.00 H new ATOM 479 N TYR A 36 -8.839 12.441 -5.354 1.00 0.00 N ATOM 480 CA TYR A 36 -8.576 13.255 -4.172 1.00 0.00 C ATOM 481 C TYR A 36 -9.751 13.200 -3.200 1.00 0.00 C ATOM 482 O TYR A 36 -10.714 12.466 -3.413 1.00 0.00 O ATOM 483 CB TYR A 36 -8.302 14.705 -4.577 1.00 0.00 C ATOM 484 CG TYR A 36 -9.369 15.296 -5.470 1.00 0.00 C ATOM 485 CD1 TYR A 36 -10.548 15.801 -4.937 1.00 0.00 C ATOM 486 CD2 TYR A 36 -9.199 15.348 -6.848 1.00 0.00 C ATOM 487 CE1 TYR A 36 -11.527 16.341 -5.749 1.00 0.00 C ATOM 488 CE2 TYR A 36 -10.171 15.888 -7.668 1.00 0.00 C ATOM 489 CZ TYR A 36 -11.332 16.383 -7.115 1.00 0.00 C ATOM 490 OH TYR A 36 -12.303 16.920 -7.928 1.00 0.00 O ATOM 0 H TYR A 36 -9.024 12.976 -6.202 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.696 12.851 -3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.214 15.314 -3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.342 14.755 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.702 15.771 -3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.291 14.960 -7.286 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -12.439 16.728 -5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.022 15.922 -8.737 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.010 16.875 -8.862 1.00 0.00 H new ATOM 500 N GLY A 37 -9.661 13.984 -2.129 1.00 0.00 N ATOM 501 CA GLY A 37 -10.722 14.011 -1.139 1.00 0.00 C ATOM 502 C GLY A 37 -10.880 12.684 -0.424 1.00 0.00 C ATOM 503 O GLY A 37 -10.099 11.758 -0.638 1.00 0.00 O ATOM 0 H GLY A 37 -8.873 14.600 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.513 14.792 -0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.662 14.273 -1.625 1.00 0.00 H new ATOM 507 N ALA A 38 -11.893 12.592 0.432 1.00 0.00 N ATOM 508 CA ALA A 38 -12.152 11.369 1.182 1.00 0.00 C ATOM 509 C ALA A 38 -10.893 10.884 1.893 1.00 0.00 C ATOM 510 O ALA A 38 -10.688 9.682 2.062 1.00 0.00 O ATOM 511 CB ALA A 38 -12.688 10.286 0.257 1.00 0.00 C ATOM 0 H ALA A 38 -12.548 13.350 0.623 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.904 11.589 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.877 9.378 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.617 10.626 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.955 10.077 -0.522 1.00 0.00 H new ATOM 517 N SER A 39 -10.051 11.827 2.305 1.00 0.00 N ATOM 518 CA SER A 39 -8.810 11.495 2.993 1.00 0.00 C ATOM 519 C SER A 39 -9.025 11.433 4.502 1.00 0.00 C ATOM 520 O SER A 39 -10.005 11.951 5.037 1.00 0.00 O ATOM 521 CB SER A 39 -7.728 12.525 2.663 1.00 0.00 C ATOM 522 OG SER A 39 -6.931 12.097 1.573 1.00 0.00 O ATOM 0 H SER A 39 -10.206 12.827 2.174 1.00 0.00 H new ATOM 0 HA SER A 39 -8.484 10.513 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.193 13.481 2.424 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.097 12.687 3.537 1.00 0.00 H new ATOM 0 HG SER A 39 -6.870 12.816 0.910 1.00 0.00 H new ATOM 528 N PRO A 40 -8.087 10.783 5.206 1.00 0.00 N ATOM 529 CA PRO A 40 -6.916 10.161 4.580 1.00 0.00 C ATOM 530 C PRO A 40 -7.284 8.935 3.752 1.00 0.00 C ATOM 531 O PRO A 40 -8.359 8.359 3.924 1.00 0.00 O ATOM 532 CB PRO A 40 -6.047 9.758 5.774 1.00 0.00 C ATOM 533 CG PRO A 40 -7.006 9.596 6.903 1.00 0.00 C ATOM 534 CD PRO A 40 -8.097 10.603 6.667 1.00 0.00 C ATOM 0 HA PRO A 40 -6.420 10.836 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.508 8.831 5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.300 10.520 5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.409 8.584 6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.515 9.770 7.860 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.062 10.240 7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.899 11.539 7.188 1.00 0.00 H new ATOM 542 N GLN A 41 -6.386 8.540 2.856 1.00 0.00 N ATOM 543 CA GLN A 41 -6.617 7.381 2.001 1.00 0.00 C ATOM 544 C GLN A 41 -5.776 6.193 2.456 1.00 0.00 C ATOM 545 O GLN A 41 -5.049 6.277 3.445 1.00 0.00 O ATOM 546 CB GLN A 41 -6.295 7.723 0.545 1.00 0.00 C ATOM 547 CG GLN A 41 -7.234 7.066 -0.455 1.00 0.00 C ATOM 548 CD GLN A 41 -8.126 8.066 -1.161 1.00 0.00 C ATOM 549 OE1 GLN A 41 -9.149 8.493 -0.622 1.00 0.00 O ATOM 550 NE2 GLN A 41 -7.745 8.447 -2.375 1.00 0.00 N ATOM 0 H GLN A 41 -5.491 9.005 2.703 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.669 7.108 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.339 8.804 0.416 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.272 7.417 0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.647 6.522 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.854 6.333 0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.891 8.068 -2.784 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.307 9.118 -2.899 1.00 0.00 H new ATOM 559 N TRP A 42 -5.881 5.088 1.727 1.00 0.00 N ATOM 560 CA TRP A 42 -5.129 3.882 2.055 1.00 0.00 C ATOM 561 C TRP A 42 -5.300 2.822 0.972 1.00 0.00 C ATOM 562 O TRP A 42 -6.264 2.854 0.207 1.00 0.00 O ATOM 563 CB TRP A 42 -5.584 3.325 3.405 1.00 0.00 C ATOM 564 CG TRP A 42 -6.981 2.785 3.386 1.00 0.00 C ATOM 565 CD1 TRP A 42 -8.108 3.442 2.981 1.00 0.00 C ATOM 566 CD2 TRP A 42 -7.400 1.477 3.791 1.00 0.00 C ATOM 567 NE1 TRP A 42 -9.202 2.621 3.110 1.00 0.00 N ATOM 568 CE2 TRP A 42 -8.794 1.410 3.603 1.00 0.00 C ATOM 569 CE3 TRP A 42 -6.733 0.356 4.291 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -9.531 0.266 3.900 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -7.465 -0.779 4.586 1.00 0.00 C ATOM 572 CH2 TRP A 42 -8.852 -0.816 4.389 1.00 0.00 C ATOM 0 H TRP A 42 -6.479 5.002 0.905 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.073 4.147 2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.901 2.533 3.712 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.517 4.112 4.156 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.135 4.457 2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.163 2.873 2.876 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.664 0.376 4.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.600 0.234 3.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.960 -1.651 4.974 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.396 -1.718 4.628 1.00 0.00 H new ATOM 583 N ILE A 43 -4.359 1.886 0.913 1.00 0.00 N ATOM 584 CA ILE A 43 -4.407 0.817 -0.076 1.00 0.00 C ATOM 585 C ILE A 43 -3.732 -0.447 0.447 1.00 0.00 C ATOM 586 O ILE A 43 -2.749 -0.378 1.185 1.00 0.00 O ATOM 587 CB ILE A 43 -3.730 1.238 -1.395 1.00 0.00 C ATOM 588 CG1 ILE A 43 -3.774 0.091 -2.405 1.00 0.00 C ATOM 589 CG2 ILE A 43 -2.294 1.670 -1.137 1.00 0.00 C ATOM 590 CD1 ILE A 43 -3.486 0.525 -3.825 1.00 0.00 C ATOM 0 H ILE A 43 -3.554 1.846 1.538 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.460 0.612 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.275 2.085 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.049 -0.669 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.758 -0.377 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.828 1.965 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.286 2.515 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.737 0.841 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.534 -0.340 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.226 1.262 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.490 0.966 -3.876 1.00 0.00 H new ATOM 602 N TYR A 44 -4.265 -1.600 0.058 1.00 0.00 N ATOM 603 CA TYR A 44 -3.715 -2.879 0.488 1.00 0.00 C ATOM 604 C TYR A 44 -3.452 -3.789 -0.708 1.00 0.00 C ATOM 605 O TYR A 44 -4.131 -3.700 -1.731 1.00 0.00 O ATOM 606 CB TYR A 44 -4.670 -3.567 1.465 1.00 0.00 C ATOM 607 CG TYR A 44 -6.128 -3.259 1.203 1.00 0.00 C ATOM 608 CD1 TYR A 44 -6.710 -2.092 1.683 1.00 0.00 C ATOM 609 CD2 TYR A 44 -6.923 -4.137 0.475 1.00 0.00 C ATOM 610 CE1 TYR A 44 -8.041 -1.809 1.447 1.00 0.00 C ATOM 611 CE2 TYR A 44 -8.255 -3.860 0.233 1.00 0.00 C ATOM 612 CZ TYR A 44 -8.809 -2.695 0.722 1.00 0.00 C ATOM 613 OH TYR A 44 -10.135 -2.415 0.483 1.00 0.00 O ATOM 0 H TYR A 44 -5.077 -1.675 -0.554 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.767 -2.687 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.519 -4.645 1.410 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.419 -3.262 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.111 -1.395 2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.492 -5.051 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.478 -0.898 1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.859 -4.552 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.533 -3.140 -0.043 1.00 0.00 H new ATOM 623 N ILE A 45 -2.461 -4.663 -0.571 1.00 0.00 N ATOM 624 CA ILE A 45 -2.108 -5.591 -1.639 1.00 0.00 C ATOM 625 C ILE A 45 -2.010 -7.020 -1.115 1.00 0.00 C ATOM 626 O ILE A 45 -1.349 -7.280 -0.110 1.00 0.00 O ATOM 627 CB ILE A 45 -0.772 -5.206 -2.301 1.00 0.00 C ATOM 628 CG1 ILE A 45 -0.772 -3.721 -2.670 1.00 0.00 C ATOM 629 CG2 ILE A 45 -0.524 -6.063 -3.532 1.00 0.00 C ATOM 630 CD1 ILE A 45 0.392 -3.317 -3.548 1.00 0.00 C ATOM 0 H ILE A 45 -1.888 -4.748 0.269 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.902 -5.533 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 45 0.035 -5.385 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.704 -3.482 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.750 -3.128 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.424 -5.779 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.487 -7.113 -3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.331 -5.913 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.328 -2.252 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.328 -3.524 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.360 -3.884 -4.478 1.00 0.00 H new ATOM 642 N ASN A 46 -2.670 -7.944 -1.806 1.00 0.00 N ATOM 643 CA ASN A 46 -2.655 -9.348 -1.412 1.00 0.00 C ATOM 644 C ASN A 46 -2.013 -10.210 -2.495 1.00 0.00 C ATOM 645 O ASN A 46 -2.428 -10.181 -3.654 1.00 0.00 O ATOM 646 CB ASN A 46 -4.078 -9.835 -1.133 1.00 0.00 C ATOM 647 CG ASN A 46 -5.072 -9.341 -2.165 1.00 0.00 C ATOM 648 OD1 ASN A 46 -5.417 -10.057 -3.106 1.00 0.00 O ATOM 649 ND2 ASN A 46 -5.538 -8.108 -1.995 1.00 0.00 N ATOM 0 H ASN A 46 -3.221 -7.746 -2.641 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.062 -9.439 -0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.089 -10.925 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.387 -9.497 -0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.209 -7.720 -2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.225 -7.549 -1.201 1.00 0.00 H new ATOM 656 N LEU A 47 -1.001 -10.979 -2.109 1.00 0.00 N ATOM 657 CA LEU A 47 -0.301 -11.851 -3.046 1.00 0.00 C ATOM 658 C LEU A 47 -1.097 -13.126 -3.301 1.00 0.00 C ATOM 659 O LEU A 47 -1.351 -13.492 -4.447 1.00 0.00 O ATOM 660 CB LEU A 47 1.087 -12.201 -2.507 1.00 0.00 C ATOM 661 CG LEU A 47 2.210 -12.276 -3.543 1.00 0.00 C ATOM 662 CD1 LEU A 47 2.887 -10.923 -3.693 1.00 0.00 C ATOM 663 CD2 LEU A 47 3.224 -13.341 -3.154 1.00 0.00 C ATOM 0 H LEU A 47 -0.647 -11.017 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.193 -11.317 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.361 -11.459 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.025 -13.163 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 47 1.775 -12.551 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.683 -10.995 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.155 -10.184 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.309 -10.619 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.016 -13.380 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.654 -13.096 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.730 -14.311 -3.098 1.00 0.00 H new ATOM 675 N GLY A 48 -1.491 -13.797 -2.223 1.00 0.00 N ATOM 676 CA GLY A 48 -2.257 -15.023 -2.351 1.00 0.00 C ATOM 677 C GLY A 48 -1.838 -16.077 -1.344 1.00 0.00 C ATOM 678 O GLY A 48 -2.535 -17.074 -1.154 1.00 0.00 O ATOM 0 H GLY A 48 -1.293 -13.513 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.316 -14.801 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.136 -15.420 -3.359 1.00 0.00 H new ATOM 682 N SER A 49 -0.697 -15.857 -0.700 1.00 0.00 N ATOM 683 CA SER A 49 -0.183 -16.798 0.288 1.00 0.00 C ATOM 684 C SER A 49 0.708 -16.087 1.302 1.00 0.00 C ATOM 685 O SER A 49 1.093 -14.934 1.110 1.00 0.00 O ATOM 686 CB SER A 49 0.601 -17.917 -0.401 1.00 0.00 C ATOM 687 OG SER A 49 1.245 -17.442 -1.569 1.00 0.00 O ATOM 0 H SER A 49 -0.110 -15.035 -0.845 1.00 0.00 H new ATOM 0 HA SER A 49 -1.032 -17.232 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.342 -18.323 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.074 -18.732 -0.660 1.00 0.00 H new ATOM 0 HG SER A 49 1.741 -18.175 -1.990 1.00 0.00 H new ATOM 693 N THR A 50 1.034 -16.786 2.386 1.00 0.00 N ATOM 694 CA THR A 50 1.877 -16.223 3.433 1.00 0.00 C ATOM 695 C THR A 50 3.323 -16.095 2.964 1.00 0.00 C ATOM 696 O THR A 50 3.896 -17.043 2.427 1.00 0.00 O ATOM 697 CB THR A 50 1.838 -17.084 4.709 1.00 0.00 C ATOM 698 OG1 THR A 50 1.181 -18.328 4.442 1.00 0.00 O ATOM 699 CG2 THR A 50 1.117 -16.354 5.832 1.00 0.00 C ATOM 0 H THR A 50 0.727 -17.743 2.561 1.00 0.00 H new ATOM 0 HA THR A 50 1.482 -15.233 3.660 1.00 0.00 H new ATOM 0 HB THR A 50 2.864 -17.277 5.022 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.162 -18.870 5.258 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.102 -16.982 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.637 -15.422 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.094 -16.134 5.525 1.00 0.00 H new ATOM 707 N GLN A 51 3.905 -14.919 3.171 1.00 0.00 N ATOM 708 CA GLN A 51 5.284 -14.668 2.768 1.00 0.00 C ATOM 709 C GLN A 51 6.021 -13.856 3.827 1.00 0.00 C ATOM 710 O GLN A 51 5.444 -12.970 4.457 1.00 0.00 O ATOM 711 CB GLN A 51 5.320 -13.932 1.428 1.00 0.00 C ATOM 712 CG GLN A 51 5.264 -14.858 0.223 1.00 0.00 C ATOM 713 CD GLN A 51 6.637 -15.167 -0.340 1.00 0.00 C ATOM 714 OE1 GLN A 51 6.975 -14.746 -1.447 1.00 0.00 O ATOM 715 NE2 GLN A 51 7.437 -15.906 0.420 1.00 0.00 N ATOM 0 H GLN A 51 3.444 -14.125 3.615 1.00 0.00 H new ATOM 0 HA GLN A 51 5.785 -15.630 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.481 -13.238 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.231 -13.335 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.774 -15.789 0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.652 -14.400 -0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.116 -16.234 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.373 -16.146 0.093 1.00 0.00 H new ATOM 724 N SER A 52 7.300 -14.166 4.020 1.00 0.00 N ATOM 725 CA SER A 52 8.115 -13.468 5.008 1.00 0.00 C ATOM 726 C SER A 52 8.698 -12.185 4.421 1.00 0.00 C ATOM 727 O SER A 52 9.231 -12.184 3.311 1.00 0.00 O ATOM 728 CB SER A 52 9.243 -14.375 5.501 1.00 0.00 C ATOM 729 OG SER A 52 9.735 -13.940 6.757 1.00 0.00 O ATOM 0 H SER A 52 7.794 -14.895 3.505 1.00 0.00 H new ATOM 0 HA SER A 52 7.476 -13.204 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.880 -15.399 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.053 -14.382 4.772 1.00 0.00 H new ATOM 0 HG SER A 52 10.454 -14.537 7.051 1.00 0.00 H new ATOM 735 N ILE A 53 8.590 -11.096 5.175 1.00 0.00 N ATOM 736 CA ILE A 53 9.108 -9.807 4.732 1.00 0.00 C ATOM 737 C ILE A 53 10.160 -9.275 5.699 1.00 0.00 C ATOM 738 O ILE A 53 10.104 -9.539 6.899 1.00 0.00 O ATOM 739 CB ILE A 53 7.980 -8.767 4.592 1.00 0.00 C ATOM 740 CG1 ILE A 53 7.007 -8.876 5.769 1.00 0.00 C ATOM 741 CG2 ILE A 53 7.247 -8.953 3.272 1.00 0.00 C ATOM 742 CD1 ILE A 53 5.907 -7.838 5.742 1.00 0.00 C ATOM 0 H ILE A 53 8.149 -11.080 6.095 1.00 0.00 H new ATOM 0 HA ILE A 53 9.566 -9.968 3.756 1.00 0.00 H new ATOM 0 HB ILE A 53 8.422 -7.771 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.558 -9.869 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.564 -8.779 6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.453 -8.211 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.948 -8.829 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.814 -9.953 3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.256 -7.975 6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.347 -6.841 5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.325 -7.948 4.827 1.00 0.00 H new ATOM 754 N SER A 54 11.117 -8.521 5.167 1.00 0.00 N ATOM 755 CA SER A 54 12.184 -7.953 5.982 1.00 0.00 C ATOM 756 C SER A 54 12.320 -6.454 5.729 1.00 0.00 C ATOM 757 O SER A 54 12.464 -5.666 6.664 1.00 0.00 O ATOM 758 CB SER A 54 13.510 -8.654 5.686 1.00 0.00 C ATOM 759 OG SER A 54 13.693 -8.833 4.292 1.00 0.00 O ATOM 0 H SER A 54 11.175 -8.290 4.175 1.00 0.00 H new ATOM 0 HA SER A 54 11.928 -8.106 7.030 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.334 -8.067 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.533 -9.622 6.186 1.00 0.00 H new ATOM 0 HG SER A 54 14.549 -9.282 4.129 1.00 0.00 H new ATOM 765 N ARG A 55 12.275 -6.069 4.458 1.00 0.00 N ATOM 766 CA ARG A 55 12.395 -4.665 4.080 1.00 0.00 C ATOM 767 C ARG A 55 11.653 -4.388 2.776 1.00 0.00 C ATOM 768 O ARG A 55 11.803 -5.118 1.796 1.00 0.00 O ATOM 769 CB ARG A 55 13.868 -4.279 3.934 1.00 0.00 C ATOM 770 CG ARG A 55 14.090 -3.031 3.096 1.00 0.00 C ATOM 771 CD ARG A 55 14.469 -3.380 1.666 1.00 0.00 C ATOM 772 NE ARG A 55 13.537 -2.808 0.697 1.00 0.00 N ATOM 773 CZ ARG A 55 13.579 -3.068 -0.605 1.00 0.00 C ATOM 774 NH1 ARG A 55 14.502 -3.887 -1.091 1.00 0.00 N ATOM 775 NH2 ARG A 55 12.697 -2.509 -1.423 1.00 0.00 N ATOM 0 H ARG A 55 12.156 -6.709 3.672 1.00 0.00 H new ATOM 0 HA ARG A 55 11.945 -4.062 4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.294 -4.121 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 55 14.410 -5.110 3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.184 -2.426 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.877 -2.426 3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.476 -3.017 1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.491 -4.464 1.551 1.00 0.00 H new ATOM 0 HE ARG A 55 12.815 -2.174 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.182 -4.319 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.532 -4.085 -2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.986 -1.879 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.730 -2.709 -2.423 1.00 0.00 H new ATOM 789 N VAL A 56 10.852 -3.327 2.772 1.00 0.00 N ATOM 790 CA VAL A 56 10.087 -2.953 1.588 1.00 0.00 C ATOM 791 C VAL A 56 10.129 -1.446 1.361 1.00 0.00 C ATOM 792 O VAL A 56 10.128 -0.663 2.311 1.00 0.00 O ATOM 793 CB VAL A 56 8.618 -3.403 1.704 1.00 0.00 C ATOM 794 CG1 VAL A 56 8.518 -4.919 1.645 1.00 0.00 C ATOM 795 CG2 VAL A 56 7.998 -2.867 2.985 1.00 0.00 C ATOM 0 H VAL A 56 10.716 -2.712 3.574 1.00 0.00 H new ATOM 0 HA VAL A 56 10.548 -3.459 0.740 1.00 0.00 H new ATOM 0 HB VAL A 56 8.062 -2.995 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.473 -5.218 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.922 -5.274 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.087 -5.353 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.960 -3.194 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.553 -3.245 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.036 -1.778 2.979 1.00 0.00 H new ATOM 805 N LYS A 57 10.166 -1.045 0.094 1.00 0.00 N ATOM 806 CA LYS A 57 10.207 0.369 -0.260 1.00 0.00 C ATOM 807 C LYS A 57 9.021 0.743 -1.143 1.00 0.00 C ATOM 808 O LYS A 57 8.682 0.023 -2.084 1.00 0.00 O ATOM 809 CB LYS A 57 11.517 0.697 -0.981 1.00 0.00 C ATOM 810 CG LYS A 57 11.556 0.212 -2.421 1.00 0.00 C ATOM 811 CD LYS A 57 12.976 0.198 -2.965 1.00 0.00 C ATOM 812 CE LYS A 57 13.078 -0.636 -4.233 1.00 0.00 C ATOM 813 NZ LYS A 57 12.848 0.182 -5.455 1.00 0.00 N ATOM 0 H LYS A 57 10.168 -1.680 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 57 10.150 0.951 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.670 1.776 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.346 0.249 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.133 -0.791 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.934 0.858 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.298 1.219 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.652 -0.202 -2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.064 -1.098 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.349 -1.445 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.926 -0.423 -6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.898 0.602 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.560 0.939 -5.505 1.00 0.00 H new ATOM 827 N LEU A 58 8.394 1.873 -0.835 1.00 0.00 N ATOM 828 CA LEU A 58 7.246 2.344 -1.602 1.00 0.00 C ATOM 829 C LEU A 58 7.347 3.841 -1.869 1.00 0.00 C ATOM 830 O LEU A 58 8.054 4.561 -1.166 1.00 0.00 O ATOM 831 CB LEU A 58 5.946 2.034 -0.855 1.00 0.00 C ATOM 832 CG LEU A 58 5.602 2.967 0.306 1.00 0.00 C ATOM 833 CD1 LEU A 58 4.181 3.491 0.166 1.00 0.00 C ATOM 834 CD2 LEU A 58 5.779 2.250 1.637 1.00 0.00 C ATOM 0 H LEU A 58 8.661 2.480 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 58 7.241 1.822 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.124 2.059 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.004 1.015 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 58 6.285 3.816 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.954 4.153 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.087 4.042 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.483 2.654 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.530 2.929 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.120 1.382 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.814 1.924 1.740 1.00 0.00 H new ATOM 846 N ASN A 59 6.633 4.305 -2.890 1.00 0.00 N ATOM 847 CA ASN A 59 6.641 5.717 -3.251 1.00 0.00 C ATOM 848 C ASN A 59 5.280 6.354 -2.988 1.00 0.00 C ATOM 849 O ASN A 59 4.257 5.670 -2.970 1.00 0.00 O ATOM 850 CB ASN A 59 7.021 5.889 -4.722 1.00 0.00 C ATOM 851 CG ASN A 59 7.250 7.341 -5.096 1.00 0.00 C ATOM 852 OD1 ASN A 59 7.538 8.175 -4.239 1.00 0.00 O ATOM 853 ND2 ASN A 59 7.120 7.648 -6.381 1.00 0.00 N ATOM 0 H ASN A 59 6.041 3.722 -3.482 1.00 0.00 H new ATOM 0 HA ASN A 59 7.384 6.219 -2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.925 5.317 -4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.231 5.476 -5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.260 8.609 -6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.880 6.923 -7.057 1.00 0.00 H new ATOM 860 N TRP A 60 5.275 7.666 -2.786 1.00 0.00 N ATOM 861 CA TRP A 60 4.039 8.396 -2.526 1.00 0.00 C ATOM 862 C TRP A 60 3.697 9.320 -3.688 1.00 0.00 C ATOM 863 O TRP A 60 2.790 10.146 -3.590 1.00 0.00 O ATOM 864 CB TRP A 60 4.163 9.204 -1.233 1.00 0.00 C ATOM 865 CG TRP A 60 4.996 8.529 -0.186 1.00 0.00 C ATOM 866 CD1 TRP A 60 6.314 8.761 0.089 1.00 0.00 C ATOM 867 CD2 TRP A 60 4.569 7.508 0.723 1.00 0.00 C ATOM 868 NE1 TRP A 60 6.731 7.947 1.113 1.00 0.00 N ATOM 869 CE2 TRP A 60 5.678 7.170 1.521 1.00 0.00 C ATOM 870 CE3 TRP A 60 3.355 6.850 0.942 1.00 0.00 C ATOM 871 CZ2 TRP A 60 5.609 6.201 2.519 1.00 0.00 C ATOM 872 CZ3 TRP A 60 3.288 5.890 1.932 1.00 0.00 C ATOM 873 CH2 TRP A 60 4.409 5.573 2.712 1.00 0.00 C ATOM 0 H TRP A 60 6.113 8.247 -2.797 1.00 0.00 H new ATOM 0 HA TRP A 60 3.233 7.670 -2.416 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.599 10.177 -1.462 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.167 9.387 -0.831 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.936 9.479 -0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.672 7.924 1.506 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.485 7.088 0.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.472 5.954 3.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.356 5.374 2.109 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.324 4.819 3.480 1.00 0.00 H new ATOM 884 N GLU A 61 4.429 9.176 -4.789 1.00 0.00 N ATOM 885 CA GLU A 61 4.202 10.001 -5.970 1.00 0.00 C ATOM 886 C GLU A 61 4.118 11.477 -5.595 1.00 0.00 C ATOM 887 O GLU A 61 4.430 11.861 -4.467 1.00 0.00 O ATOM 888 CB GLU A 61 2.916 9.570 -6.680 1.00 0.00 C ATOM 889 CG GLU A 61 1.662 10.211 -6.110 1.00 0.00 C ATOM 890 CD GLU A 61 0.851 10.943 -7.161 1.00 0.00 C ATOM 891 OE1 GLU A 61 0.855 10.499 -8.328 1.00 0.00 O ATOM 892 OE2 GLU A 61 0.214 11.960 -6.817 1.00 0.00 O ATOM 0 H GLU A 61 5.183 8.496 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 61 5.046 9.863 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.993 9.821 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.821 8.486 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.042 9.441 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.942 10.909 -5.321 1.00 0.00 H new ATOM 899 N ASP A 62 3.696 12.301 -6.547 1.00 0.00 N ATOM 900 CA ASP A 62 3.571 13.735 -6.319 1.00 0.00 C ATOM 901 C ASP A 62 2.796 14.015 -5.035 1.00 0.00 C ATOM 902 O ASP A 62 3.198 14.849 -4.224 1.00 0.00 O ATOM 903 CB ASP A 62 2.875 14.404 -7.505 1.00 0.00 C ATOM 904 CG ASP A 62 3.828 15.231 -8.344 1.00 0.00 C ATOM 905 OD1 ASP A 62 4.945 14.747 -8.626 1.00 0.00 O ATOM 906 OD2 ASP A 62 3.459 16.363 -8.721 1.00 0.00 O ATOM 0 H ASP A 62 3.434 12.000 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 62 4.574 14.150 -6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.415 13.639 -8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.071 15.042 -7.138 1.00 0.00 H new ATOM 911 N ALA A 63 1.681 13.312 -4.858 1.00 0.00 N ATOM 912 CA ALA A 63 0.850 13.485 -3.673 1.00 0.00 C ATOM 913 C ALA A 63 1.704 13.595 -2.414 1.00 0.00 C ATOM 914 O ALA A 63 2.274 12.607 -1.950 1.00 0.00 O ATOM 915 CB ALA A 63 -0.133 12.331 -3.545 1.00 0.00 C ATOM 0 H ALA A 63 1.333 12.618 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 63 0.291 14.414 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.747 12.473 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.773 12.299 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.416 11.393 -3.461 1.00 0.00 H new ATOM 921 N TYR A 64 1.790 14.802 -1.867 1.00 0.00 N ATOM 922 CA TYR A 64 2.578 15.042 -0.664 1.00 0.00 C ATOM 923 C TYR A 64 1.747 14.790 0.591 1.00 0.00 C ATOM 924 O TYR A 64 0.728 15.442 0.815 1.00 0.00 O ATOM 925 CB TYR A 64 3.112 16.475 -0.656 1.00 0.00 C ATOM 926 CG TYR A 64 4.602 16.567 -0.894 1.00 0.00 C ATOM 927 CD1 TYR A 64 5.219 15.793 -1.869 1.00 0.00 C ATOM 928 CD2 TYR A 64 5.393 17.429 -0.144 1.00 0.00 C ATOM 929 CE1 TYR A 64 6.580 15.874 -2.089 1.00 0.00 C ATOM 930 CE2 TYR A 64 6.755 17.517 -0.359 1.00 0.00 C ATOM 931 CZ TYR A 64 7.344 16.737 -1.332 1.00 0.00 C ATOM 932 OH TYR A 64 8.700 16.821 -1.549 1.00 0.00 O ATOM 0 H TYR A 64 1.324 15.630 -2.238 1.00 0.00 H new ATOM 0 HA TYR A 64 3.419 14.348 -0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.594 17.051 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.877 16.936 0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.624 15.117 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.935 18.040 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.044 15.264 -2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.355 18.193 0.232 1.00 0.00 H new ATOM 0 HH TYR A 64 9.090 17.476 -0.933 1.00 0.00 H new ATOM 942 N ALA A 65 2.191 13.839 1.406 1.00 0.00 N ATOM 943 CA ALA A 65 1.491 13.501 2.639 1.00 0.00 C ATOM 944 C ALA A 65 2.275 13.969 3.860 1.00 0.00 C ATOM 945 O ALA A 65 3.461 14.286 3.767 1.00 0.00 O ATOM 946 CB ALA A 65 1.243 12.002 2.711 1.00 0.00 C ATOM 0 H ALA A 65 3.033 13.289 1.234 1.00 0.00 H new ATOM 0 HA ALA A 65 0.531 14.017 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.720 11.764 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.635 11.692 1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.196 11.474 2.687 1.00 0.00 H new ATOM 952 N THR A 66 1.605 14.010 5.008 1.00 0.00 N ATOM 953 CA THR A 66 2.238 14.441 6.247 1.00 0.00 C ATOM 954 C THR A 66 2.724 13.248 7.061 1.00 0.00 C ATOM 955 O THR A 66 3.446 13.407 8.044 1.00 0.00 O ATOM 956 CB THR A 66 1.273 15.278 7.110 1.00 0.00 C ATOM 957 OG1 THR A 66 2.007 16.003 8.103 1.00 0.00 O ATOM 958 CG2 THR A 66 0.241 14.387 7.785 1.00 0.00 C ATOM 0 H THR A 66 0.624 13.750 5.104 1.00 0.00 H new ATOM 0 HA THR A 66 3.092 15.058 5.967 1.00 0.00 H new ATOM 0 HB THR A 66 0.753 15.980 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.712 15.431 8.471 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.429 14.999 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.335 13.858 7.026 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.747 13.664 8.425 1.00 0.00 H new ATOM 966 N ALA A 67 2.324 12.051 6.643 1.00 0.00 N ATOM 967 CA ALA A 67 2.721 10.829 7.332 1.00 0.00 C ATOM 968 C ALA A 67 2.121 9.600 6.659 1.00 0.00 C ATOM 969 O ALA A 67 1.251 9.715 5.795 1.00 0.00 O ATOM 970 CB ALA A 67 2.305 10.889 8.795 1.00 0.00 C ATOM 0 H ALA A 67 1.725 11.902 5.831 1.00 0.00 H new ATOM 0 HA ALA A 67 3.807 10.747 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.608 9.970 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.786 11.741 9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.223 10.999 8.861 1.00 0.00 H new ATOM 976 N TYR A 68 2.591 8.424 7.059 1.00 0.00 N ATOM 977 CA TYR A 68 2.103 7.172 6.493 1.00 0.00 C ATOM 978 C TYR A 68 2.230 6.032 7.499 1.00 0.00 C ATOM 979 O TYR A 68 2.942 6.146 8.496 1.00 0.00 O ATOM 980 CB TYR A 68 2.874 6.830 5.217 1.00 0.00 C ATOM 981 CG TYR A 68 4.275 7.401 5.185 1.00 0.00 C ATOM 982 CD1 TYR A 68 5.344 6.702 5.730 1.00 0.00 C ATOM 983 CD2 TYR A 68 4.528 8.641 4.611 1.00 0.00 C ATOM 984 CE1 TYR A 68 6.624 7.219 5.703 1.00 0.00 C ATOM 985 CE2 TYR A 68 5.805 9.166 4.579 1.00 0.00 C ATOM 986 CZ TYR A 68 6.850 8.452 5.127 1.00 0.00 C ATOM 987 OH TYR A 68 8.124 8.972 5.098 1.00 0.00 O ATOM 0 H TYR A 68 3.310 8.311 7.774 1.00 0.00 H new ATOM 0 HA TYR A 68 1.048 7.300 6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.930 5.746 5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.319 7.203 4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.171 5.737 6.183 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.712 9.204 4.183 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.444 6.661 6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.984 10.130 4.127 1.00 0.00 H new ATOM 0 HH TYR A 68 8.773 8.243 5.009 1.00 0.00 H new ATOM 997 N SER A 69 1.533 4.933 7.228 1.00 0.00 N ATOM 998 CA SER A 69 1.564 3.771 8.110 1.00 0.00 C ATOM 999 C SER A 69 1.550 2.476 7.304 1.00 0.00 C ATOM 1000 O SER A 69 0.795 2.341 6.339 1.00 0.00 O ATOM 1001 CB SER A 69 0.373 3.802 9.069 1.00 0.00 C ATOM 1002 OG SER A 69 0.653 4.602 10.205 1.00 0.00 O ATOM 0 H SER A 69 0.940 4.822 6.405 1.00 0.00 H new ATOM 0 HA SER A 69 2.488 3.808 8.687 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.504 4.193 8.552 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.131 2.788 9.386 1.00 0.00 H new ATOM 0 HG SER A 69 1.383 5.221 9.997 1.00 0.00 H new ATOM 1008 N ILE A 70 2.389 1.528 7.705 1.00 0.00 N ATOM 1009 CA ILE A 70 2.473 0.243 7.021 1.00 0.00 C ATOM 1010 C ILE A 70 2.224 -0.911 7.986 1.00 0.00 C ATOM 1011 O ILE A 70 2.892 -1.029 9.013 1.00 0.00 O ATOM 1012 CB ILE A 70 3.847 0.050 6.352 1.00 0.00 C ATOM 1013 CG1 ILE A 70 3.710 -0.815 5.098 1.00 0.00 C ATOM 1014 CG2 ILE A 70 4.829 -0.576 7.330 1.00 0.00 C ATOM 1015 CD1 ILE A 70 5.037 -1.230 4.503 1.00 0.00 C ATOM 0 H ILE A 70 3.021 1.625 8.500 1.00 0.00 H new ATOM 0 HA ILE A 70 1.700 0.244 6.252 1.00 0.00 H new ATOM 0 HB ILE A 70 4.232 1.026 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.136 -1.708 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.140 -0.266 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.795 -0.706 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.944 0.075 8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.452 -1.546 7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.863 -1.841 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.605 -0.342 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.600 -1.807 5.237 1.00 0.00 H new ATOM 1027 N GLN A 71 1.259 -1.759 7.649 1.00 0.00 N ATOM 1028 CA GLN A 71 0.922 -2.905 8.486 1.00 0.00 C ATOM 1029 C GLN A 71 0.364 -4.048 7.645 1.00 0.00 C ATOM 1030 O GLN A 71 -0.360 -3.823 6.674 1.00 0.00 O ATOM 1031 CB GLN A 71 -0.093 -2.500 9.556 1.00 0.00 C ATOM 1032 CG GLN A 71 -1.522 -2.426 9.043 1.00 0.00 C ATOM 1033 CD GLN A 71 -2.472 -1.804 10.046 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -2.047 -1.264 11.068 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -3.767 -1.876 9.760 1.00 0.00 N ATOM 0 H GLN A 71 0.696 -1.675 6.802 1.00 0.00 H new ATOM 0 HA GLN A 71 1.835 -3.249 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.047 -3.215 10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.189 -1.529 9.963 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.543 -1.846 8.121 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.867 -3.430 8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.075 -2.333 8.902 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.453 -1.474 10.399 1.00 0.00 H new ATOM 1044 N VAL A 72 0.705 -5.276 8.023 1.00 0.00 N ATOM 1045 CA VAL A 72 0.238 -6.456 7.304 1.00 0.00 C ATOM 1046 C VAL A 72 -0.849 -7.182 8.087 1.00 0.00 C ATOM 1047 O VAL A 72 -1.376 -6.657 9.068 1.00 0.00 O ATOM 1048 CB VAL A 72 1.393 -7.434 7.022 1.00 0.00 C ATOM 1049 CG1 VAL A 72 2.532 -6.726 6.305 1.00 0.00 C ATOM 1050 CG2 VAL A 72 1.880 -8.070 8.315 1.00 0.00 C ATOM 0 H VAL A 72 1.303 -5.480 8.824 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.173 -6.108 6.356 1.00 0.00 H new ATOM 0 HB VAL A 72 1.023 -8.226 6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.338 -7.434 6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.172 -6.324 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.903 -5.912 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.696 -8.758 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.232 -7.292 8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.061 -8.616 8.783 1.00 0.00 H new ATOM 1060 N SER A 73 -1.181 -8.391 7.647 1.00 0.00 N ATOM 1061 CA SER A 73 -2.209 -9.189 8.305 1.00 0.00 C ATOM 1062 C SER A 73 -1.705 -10.602 8.583 1.00 0.00 C ATOM 1063 O SER A 73 -1.118 -11.245 7.714 1.00 0.00 O ATOM 1064 CB SER A 73 -3.470 -9.245 7.442 1.00 0.00 C ATOM 1065 OG SER A 73 -4.174 -8.016 7.486 1.00 0.00 O ATOM 0 H SER A 73 -0.753 -8.840 6.837 1.00 0.00 H new ATOM 0 HA SER A 73 -2.449 -8.715 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.199 -9.476 6.412 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.117 -10.051 7.790 1.00 0.00 H new ATOM 0 HG SER A 73 -4.893 -8.027 6.820 1.00 0.00 H new ATOM 1071 N ASN A 74 -1.939 -11.078 9.802 1.00 0.00 N ATOM 1072 CA ASN A 74 -1.509 -12.414 10.196 1.00 0.00 C ATOM 1073 C ASN A 74 -1.860 -12.691 11.655 1.00 0.00 C ATOM 1074 O ASN A 74 -2.147 -11.770 12.420 1.00 0.00 O ATOM 1075 CB ASN A 74 -0.002 -12.571 9.984 1.00 0.00 C ATOM 1076 CG ASN A 74 0.346 -13.821 9.200 1.00 0.00 C ATOM 1077 OD1 ASN A 74 1.059 -14.697 9.691 1.00 0.00 O ATOM 1078 ND2 ASN A 74 -0.159 -13.911 7.976 1.00 0.00 N ATOM 0 H ASN A 74 -2.424 -10.558 10.533 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.034 -13.136 9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.381 -11.697 9.457 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.497 -12.603 10.953 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.039 -14.730 7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.745 -13.161 7.610 1.00 0.00 H new ATOM 1085 N ASP A 75 -1.834 -13.964 12.032 1.00 0.00 N ATOM 1086 CA ASP A 75 -2.148 -14.363 13.399 1.00 0.00 C ATOM 1087 C ASP A 75 -1.933 -15.860 13.592 1.00 0.00 C ATOM 1088 O ASP A 75 -1.354 -16.290 14.590 1.00 0.00 O ATOM 1089 CB ASP A 75 -3.593 -13.995 13.741 1.00 0.00 C ATOM 1090 CG ASP A 75 -3.811 -13.827 15.232 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -3.058 -13.050 15.857 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -4.732 -14.472 15.775 1.00 0.00 O ATOM 0 H ASP A 75 -1.599 -14.738 11.410 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.476 -13.828 14.070 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.859 -13.069 13.231 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.261 -14.770 13.364 1.00 0.00 H new ATOM 1097 N SER A 76 -2.402 -16.650 12.631 1.00 0.00 N ATOM 1098 CA SER A 76 -2.264 -18.100 12.697 1.00 0.00 C ATOM 1099 C SER A 76 -1.276 -18.600 11.647 1.00 0.00 C ATOM 1100 O SER A 76 -1.037 -19.800 11.527 1.00 0.00 O ATOM 1101 CB SER A 76 -3.623 -18.772 12.496 1.00 0.00 C ATOM 1102 OG SER A 76 -4.557 -17.872 11.924 1.00 0.00 O ATOM 0 H SER A 76 -2.881 -16.310 11.797 1.00 0.00 H new ATOM 0 HA SER A 76 -1.881 -18.360 13.684 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.510 -19.643 11.850 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.999 -19.132 13.453 1.00 0.00 H new ATOM 0 HG SER A 76 -5.467 -18.194 12.092 1.00 0.00 H new ATOM 1108 N GLY A 77 -0.705 -17.669 10.889 1.00 0.00 N ATOM 1109 CA GLY A 77 0.249 -18.034 9.859 1.00 0.00 C ATOM 1110 C GLY A 77 -0.423 -18.552 8.604 1.00 0.00 C ATOM 1111 O GLY A 77 0.248 -18.910 7.635 1.00 0.00 O ATOM 0 H GLY A 77 -0.886 -16.669 10.970 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.859 -17.166 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.924 -18.797 10.247 1.00 0.00 H new ATOM 1115 N SER A 78 -1.751 -18.593 8.619 1.00 0.00 N ATOM 1116 CA SER A 78 -2.513 -19.078 7.474 1.00 0.00 C ATOM 1117 C SER A 78 -3.790 -18.261 7.287 1.00 0.00 C ATOM 1118 O SER A 78 -4.177 -17.940 6.163 1.00 0.00 O ATOM 1119 CB SER A 78 -2.862 -20.556 7.654 1.00 0.00 C ATOM 1120 OG SER A 78 -3.273 -21.137 6.429 1.00 0.00 O ATOM 0 H SER A 78 -2.322 -18.296 9.411 1.00 0.00 H new ATOM 0 HA SER A 78 -1.895 -18.965 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.996 -21.092 8.042 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.657 -20.658 8.393 1.00 0.00 H new ATOM 0 HG SER A 78 -3.489 -22.082 6.571 1.00 0.00 H new ATOM 1126 N THR A 79 -4.439 -17.930 8.398 1.00 0.00 N ATOM 1127 CA THR A 79 -5.672 -17.152 8.358 1.00 0.00 C ATOM 1128 C THR A 79 -5.464 -15.760 8.945 1.00 0.00 C ATOM 1129 O THR A 79 -5.835 -15.479 10.084 1.00 0.00 O ATOM 1130 CB THR A 79 -6.804 -17.857 9.129 1.00 0.00 C ATOM 1131 OG1 THR A 79 -6.882 -19.232 8.737 1.00 0.00 O ATOM 1132 CG2 THR A 79 -8.140 -17.175 8.870 1.00 0.00 C ATOM 0 H THR A 79 -4.132 -18.188 9.336 1.00 0.00 H new ATOM 0 HA THR A 79 -5.956 -17.062 7.309 1.00 0.00 H new ATOM 0 HB THR A 79 -6.581 -17.795 10.194 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.603 -19.673 9.233 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.925 -17.690 9.424 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.087 -16.136 9.196 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.366 -17.210 7.804 1.00 0.00 H new ATOM 1140 N PRO A 80 -4.856 -14.868 8.149 1.00 0.00 N ATOM 1141 CA PRO A 80 -4.586 -13.490 8.569 1.00 0.00 C ATOM 1142 C PRO A 80 -5.860 -12.660 8.692 1.00 0.00 C ATOM 1143 O PRO A 80 -6.759 -12.757 7.855 1.00 0.00 O ATOM 1144 CB PRO A 80 -3.699 -12.944 7.447 1.00 0.00 C ATOM 1145 CG PRO A 80 -4.048 -13.767 6.255 1.00 0.00 C ATOM 1146 CD PRO A 80 -4.386 -15.134 6.780 1.00 0.00 C ATOM 0 HA PRO A 80 -4.124 -13.449 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.892 -11.886 7.268 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.642 -13.037 7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.892 -13.336 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.214 -13.813 5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.156 -15.617 6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.517 -15.793 6.774 1.00 0.00 H new ATOM 1154 N THR A 81 -5.931 -11.843 9.738 1.00 0.00 N ATOM 1155 CA THR A 81 -7.095 -10.998 9.970 1.00 0.00 C ATOM 1156 C THR A 81 -6.710 -9.724 10.714 1.00 0.00 C ATOM 1157 O THR A 81 -7.048 -8.620 10.290 1.00 0.00 O ATOM 1158 CB THR A 81 -8.179 -11.741 10.774 1.00 0.00 C ATOM 1159 OG1 THR A 81 -7.695 -12.040 12.088 1.00 0.00 O ATOM 1160 CG2 THR A 81 -8.584 -13.029 10.073 1.00 0.00 C ATOM 0 H THR A 81 -5.195 -11.749 10.438 1.00 0.00 H new ATOM 0 HA THR A 81 -7.496 -10.737 8.990 1.00 0.00 H new ATOM 0 HB THR A 81 -9.054 -11.095 10.847 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.390 -12.511 12.593 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.350 -13.537 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.978 -12.796 9.084 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.714 -13.678 9.973 1.00 0.00 H new ATOM 1168 N ASN A 82 -6.001 -9.886 11.826 1.00 0.00 N ATOM 1169 CA ASN A 82 -5.571 -8.748 12.630 1.00 0.00 C ATOM 1170 C ASN A 82 -4.049 -8.629 12.633 1.00 0.00 C ATOM 1171 O ASN A 82 -3.344 -9.543 12.203 1.00 0.00 O ATOM 1172 CB ASN A 82 -6.084 -8.886 14.064 1.00 0.00 C ATOM 1173 CG ASN A 82 -6.786 -7.632 14.551 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -7.929 -7.366 14.182 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -6.101 -6.857 15.383 1.00 0.00 N ATOM 0 H ASN A 82 -5.712 -10.794 12.191 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.989 -7.844 12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.772 -9.730 14.121 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.248 -9.111 14.726 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.520 -6.000 15.744 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.155 -7.118 15.661 1.00 0.00 H new ATOM 1182 N TRP A 83 -3.551 -7.498 13.119 1.00 0.00 N ATOM 1183 CA TRP A 83 -2.113 -7.260 13.178 1.00 0.00 C ATOM 1184 C TRP A 83 -1.812 -5.900 13.800 1.00 0.00 C ATOM 1185 O TRP A 83 -2.720 -5.110 14.060 1.00 0.00 O ATOM 1186 CB TRP A 83 -1.504 -7.339 11.777 1.00 0.00 C ATOM 1187 CG TRP A 83 -0.062 -7.744 11.778 1.00 0.00 C ATOM 1188 CD1 TRP A 83 0.975 -7.087 11.179 1.00 0.00 C ATOM 1189 CD2 TRP A 83 0.504 -8.899 12.408 1.00 0.00 C ATOM 1190 NE1 TRP A 83 2.150 -7.763 11.398 1.00 0.00 N ATOM 1191 CE2 TRP A 83 1.889 -8.878 12.150 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -0.024 -9.947 13.166 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 2.749 -9.865 12.623 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 0.831 -10.927 13.635 1.00 0.00 C ATOM 1195 CH2 TRP A 83 2.204 -10.880 13.362 1.00 0.00 C ATOM 0 H TRP A 83 -4.121 -6.732 13.478 1.00 0.00 H new ATOM 0 HA TRP A 83 -1.667 -8.033 13.804 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.074 -8.052 11.181 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.601 -6.368 11.291 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.884 -6.170 10.616 1.00 0.00 H new ATOM 0 HE1 TRP A 83 3.069 -7.481 11.056 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.081 -9.991 13.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 3.808 -9.831 12.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.434 -11.742 14.222 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.846 -11.661 13.742 1.00 0.00 H new ATOM 1206 N THR A 84 -0.531 -5.634 14.038 1.00 0.00 N ATOM 1207 CA THR A 84 -0.111 -4.370 14.630 1.00 0.00 C ATOM 1208 C THR A 84 0.726 -3.555 13.650 1.00 0.00 C ATOM 1209 O THR A 84 1.530 -4.105 12.897 1.00 0.00 O ATOM 1210 CB THR A 84 0.703 -4.596 15.918 1.00 0.00 C ATOM 1211 OG1 THR A 84 0.708 -5.989 16.256 1.00 0.00 O ATOM 1212 CG2 THR A 84 0.125 -3.792 17.072 1.00 0.00 C ATOM 0 H THR A 84 0.233 -6.277 13.830 1.00 0.00 H new ATOM 0 HA THR A 84 -1.019 -3.819 14.875 1.00 0.00 H new ATOM 0 HB THR A 84 1.725 -4.261 15.739 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.229 -6.125 17.075 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.717 -3.968 17.970 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.149 -2.731 16.824 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.905 -4.100 17.250 1.00 0.00 H new ATOM 1220 N THR A 85 0.533 -2.239 13.667 1.00 0.00 N ATOM 1221 CA THR A 85 1.270 -1.349 12.780 1.00 0.00 C ATOM 1222 C THR A 85 2.769 -1.607 12.862 1.00 0.00 C ATOM 1223 O THR A 85 3.267 -2.123 13.863 1.00 0.00 O ATOM 1224 CB THR A 85 0.995 0.130 13.115 1.00 0.00 C ATOM 1225 OG1 THR A 85 1.073 0.334 14.530 1.00 0.00 O ATOM 1226 CG2 THR A 85 -0.375 0.554 12.611 1.00 0.00 C ATOM 0 H THR A 85 -0.127 -1.767 14.285 1.00 0.00 H new ATOM 0 HA THR A 85 0.925 -1.555 11.767 1.00 0.00 H new ATOM 0 HB THR A 85 1.751 0.739 12.618 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.899 1.276 14.735 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.546 1.601 12.859 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.421 0.425 11.530 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.142 -0.060 13.082 1.00 0.00 H new ATOM 1234 N VAL A 86 3.487 -1.244 11.804 1.00 0.00 N ATOM 1235 CA VAL A 86 4.932 -1.436 11.757 1.00 0.00 C ATOM 1236 C VAL A 86 5.664 -0.098 11.776 1.00 0.00 C ATOM 1237 O VAL A 86 6.867 -0.040 12.034 1.00 0.00 O ATOM 1238 CB VAL A 86 5.354 -2.222 10.503 1.00 0.00 C ATOM 1239 CG1 VAL A 86 6.784 -2.720 10.640 1.00 0.00 C ATOM 1240 CG2 VAL A 86 4.399 -3.380 10.254 1.00 0.00 C ATOM 0 H VAL A 86 3.091 -0.815 10.967 1.00 0.00 H new ATOM 0 HA VAL A 86 5.204 -2.009 12.643 1.00 0.00 H new ATOM 0 HB VAL A 86 5.309 -1.552 9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.064 -3.273 9.744 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.455 -1.870 10.766 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.860 -3.374 11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.712 -3.925 9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.409 -4.051 11.113 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.390 -2.994 10.107 1.00 0.00 H new ATOM 1250 N TYR A 87 4.931 0.975 11.501 1.00 0.00 N ATOM 1251 CA TYR A 87 5.511 2.313 11.484 1.00 0.00 C ATOM 1252 C TYR A 87 4.420 3.379 11.484 1.00 0.00 C ATOM 1253 O TYR A 87 3.295 3.132 11.052 1.00 0.00 O ATOM 1254 CB TYR A 87 6.410 2.487 10.259 1.00 0.00 C ATOM 1255 CG TYR A 87 7.145 3.808 10.229 1.00 0.00 C ATOM 1256 CD1 TYR A 87 8.067 4.134 11.215 1.00 0.00 C ATOM 1257 CD2 TYR A 87 6.915 4.730 9.216 1.00 0.00 C ATOM 1258 CE1 TYR A 87 8.741 5.340 11.193 1.00 0.00 C ATOM 1259 CE2 TYR A 87 7.585 5.938 9.185 1.00 0.00 C ATOM 1260 CZ TYR A 87 8.497 6.238 10.175 1.00 0.00 C ATOM 1261 OH TYR A 87 9.165 7.440 10.148 1.00 0.00 O ATOM 0 H TYR A 87 3.934 0.945 11.287 1.00 0.00 H new ATOM 0 HA TYR A 87 6.111 2.433 12.386 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.137 1.676 10.235 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.803 2.398 9.358 1.00 0.00 H new ATOM 0 HD1 TYR A 87 8.261 3.433 12.013 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.201 4.499 8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 87 9.454 5.578 11.968 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.395 6.644 8.390 1.00 0.00 H new ATOM 0 HH TYR A 87 8.879 7.956 9.365 1.00 0.00 H new ATOM 1271 N SER A 88 4.763 4.568 11.971 1.00 0.00 N ATOM 1272 CA SER A 88 3.814 5.673 12.031 1.00 0.00 C ATOM 1273 C SER A 88 4.452 6.904 12.667 1.00 0.00 C ATOM 1274 O SER A 88 5.045 6.825 13.743 1.00 0.00 O ATOM 1275 CB SER A 88 2.570 5.263 12.823 1.00 0.00 C ATOM 1276 OG SER A 88 2.926 4.593 14.020 1.00 0.00 O ATOM 0 H SER A 88 5.692 4.790 12.330 1.00 0.00 H new ATOM 0 HA SER A 88 3.521 5.923 11.011 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.978 6.147 13.060 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.943 4.614 12.212 1.00 0.00 H new ATOM 0 HG SER A 88 3.739 4.995 14.390 1.00 0.00 H new ATOM 1282 N THR A 89 4.326 8.043 11.992 1.00 0.00 N ATOM 1283 CA THR A 89 4.891 9.291 12.489 1.00 0.00 C ATOM 1284 C THR A 89 4.051 10.487 12.052 1.00 0.00 C ATOM 1285 O THR A 89 2.943 10.326 11.540 1.00 0.00 O ATOM 1286 CB THR A 89 6.337 9.487 11.998 1.00 0.00 C ATOM 1287 OG1 THR A 89 6.345 9.759 10.592 1.00 0.00 O ATOM 1288 CG2 THR A 89 7.179 8.254 12.287 1.00 0.00 C ATOM 0 H THR A 89 3.838 8.126 11.100 1.00 0.00 H new ATOM 0 HA THR A 89 4.890 9.228 13.577 1.00 0.00 H new ATOM 0 HB THR A 89 6.767 10.334 12.533 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.266 9.726 10.258 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.196 8.417 11.931 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.196 8.068 13.361 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.749 7.392 11.776 1.00 0.00 H new ATOM 1296 N THR A 90 4.587 11.686 12.256 1.00 0.00 N ATOM 1297 CA THR A 90 3.887 12.909 11.884 1.00 0.00 C ATOM 1298 C THR A 90 4.814 13.873 11.152 1.00 0.00 C ATOM 1299 O THR A 90 4.998 15.015 11.573 1.00 0.00 O ATOM 1300 CB THR A 90 3.300 13.618 13.119 1.00 0.00 C ATOM 1301 OG1 THR A 90 4.217 13.535 14.214 1.00 0.00 O ATOM 1302 CG2 THR A 90 1.968 12.998 13.517 1.00 0.00 C ATOM 0 H THR A 90 5.504 11.836 12.677 1.00 0.00 H new ATOM 0 HA THR A 90 3.073 12.617 11.220 1.00 0.00 H new ATOM 0 HB THR A 90 3.134 14.665 12.865 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.837 13.990 14.994 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.573 13.515 14.391 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.263 13.090 12.691 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.114 11.944 13.754 1.00 0.00 H new ATOM 1310 N THR A 91 5.399 13.405 10.053 1.00 0.00 N ATOM 1311 CA THR A 91 6.307 14.225 9.263 1.00 0.00 C ATOM 1312 C THR A 91 6.170 13.922 7.775 1.00 0.00 C ATOM 1313 O THR A 91 5.700 14.755 7.002 1.00 0.00 O ATOM 1314 CB THR A 91 7.772 14.006 9.686 1.00 0.00 C ATOM 1315 OG1 THR A 91 8.630 14.089 8.542 1.00 0.00 O ATOM 1316 CG2 THR A 91 7.946 12.654 10.359 1.00 0.00 C ATOM 0 H THR A 91 5.259 12.462 9.691 1.00 0.00 H new ATOM 0 HA THR A 91 6.034 15.264 9.446 1.00 0.00 H new ATOM 0 HB THR A 91 8.041 14.785 10.399 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.560 13.950 8.820 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.989 12.523 10.648 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.314 12.605 11.246 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.660 11.863 9.666 1.00 0.00 H new ATOM 1324 N GLY A 92 6.582 12.720 7.380 1.00 0.00 N ATOM 1325 CA GLY A 92 6.495 12.328 5.985 1.00 0.00 C ATOM 1326 C GLY A 92 7.098 13.361 5.054 1.00 0.00 C ATOM 1327 O GLY A 92 7.854 14.231 5.487 1.00 0.00 O ATOM 0 H GLY A 92 6.974 12.012 8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.006 11.375 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.450 12.170 5.720 1.00 0.00 H new ATOM 1331 N ASP A 93 6.763 13.265 3.772 1.00 0.00 N ATOM 1332 CA ASP A 93 7.278 14.198 2.777 1.00 0.00 C ATOM 1333 C ASP A 93 6.624 13.959 1.419 1.00 0.00 C ATOM 1334 O ASP A 93 5.751 14.716 0.996 1.00 0.00 O ATOM 1335 CB ASP A 93 8.796 14.064 2.655 1.00 0.00 C ATOM 1336 CG ASP A 93 9.535 15.188 3.354 1.00 0.00 C ATOM 1337 OD1 ASP A 93 9.055 16.340 3.293 1.00 0.00 O ATOM 1338 OD2 ASP A 93 10.593 14.918 3.960 1.00 0.00 O ATOM 0 H ASP A 93 6.138 12.551 3.398 1.00 0.00 H new ATOM 0 HA ASP A 93 7.037 15.209 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.109 13.109 3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.073 14.051 1.601 1.00 0.00 H new ATOM 1343 N GLY A 94 7.054 12.900 0.739 1.00 0.00 N ATOM 1344 CA GLY A 94 6.501 12.581 -0.565 1.00 0.00 C ATOM 1345 C GLY A 94 7.428 11.713 -1.391 1.00 0.00 C ATOM 1346 O GLY A 94 6.989 11.027 -2.314 1.00 0.00 O ATOM 0 H GLY A 94 7.775 12.258 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.547 12.069 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 94 6.296 13.505 -1.105 1.00 0.00 H new ATOM 1350 N ALA A 95 8.715 11.744 -1.061 1.00 0.00 N ATOM 1351 CA ALA A 95 9.707 10.954 -1.780 1.00 0.00 C ATOM 1352 C ALA A 95 9.648 9.488 -1.365 1.00 0.00 C ATOM 1353 O ALA A 95 9.160 9.159 -0.283 1.00 0.00 O ATOM 1354 CB ALA A 95 11.102 11.515 -1.543 1.00 0.00 C ATOM 0 H ALA A 95 9.095 12.308 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 95 9.479 11.013 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.832 10.915 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.145 12.545 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.329 11.487 -0.477 1.00 0.00 H new ATOM 1360 N ILE A 96 10.144 8.612 -2.231 1.00 0.00 N ATOM 1361 CA ILE A 96 10.148 7.181 -1.954 1.00 0.00 C ATOM 1362 C ILE A 96 10.672 6.894 -0.551 1.00 0.00 C ATOM 1363 O ILE A 96 11.774 7.310 -0.192 1.00 0.00 O ATOM 1364 CB ILE A 96 11.002 6.410 -2.977 1.00 0.00 C ATOM 1365 CG1 ILE A 96 10.607 6.801 -4.403 1.00 0.00 C ATOM 1366 CG2 ILE A 96 10.850 4.911 -2.772 1.00 0.00 C ATOM 1367 CD1 ILE A 96 11.583 7.752 -5.061 1.00 0.00 C ATOM 0 H ILE A 96 10.549 8.868 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 96 9.114 6.843 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 96 12.049 6.673 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.526 5.899 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.619 7.262 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.460 4.380 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.176 4.646 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.804 4.630 -2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.240 7.986 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.646 8.670 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.567 7.286 -5.112 1.00 0.00 H new ATOM 1379 N ASP A 97 9.877 6.180 0.237 1.00 0.00 N ATOM 1380 CA ASP A 97 10.262 5.834 1.601 1.00 0.00 C ATOM 1381 C ASP A 97 10.503 4.334 1.733 1.00 0.00 C ATOM 1382 O ASP A 97 9.631 3.524 1.419 1.00 0.00 O ATOM 1383 CB ASP A 97 9.180 6.278 2.587 1.00 0.00 C ATOM 1384 CG ASP A 97 9.297 5.579 3.927 1.00 0.00 C ATOM 1385 OD1 ASP A 97 8.766 4.457 4.059 1.00 0.00 O ATOM 1386 OD2 ASP A 97 9.919 6.155 4.845 1.00 0.00 O ATOM 0 H ASP A 97 8.962 5.829 -0.045 1.00 0.00 H new ATOM 0 HA ASP A 97 11.191 6.355 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.248 7.356 2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.198 6.076 2.160 1.00 0.00 H new ATOM 1391 N ASP A 98 11.694 3.971 2.200 1.00 0.00 N ATOM 1392 CA ASP A 98 12.051 2.568 2.373 1.00 0.00 C ATOM 1393 C ASP A 98 11.903 2.146 3.832 1.00 0.00 C ATOM 1394 O ASP A 98 12.635 2.618 4.701 1.00 0.00 O ATOM 1395 CB ASP A 98 13.485 2.322 1.901 1.00 0.00 C ATOM 1396 CG ASP A 98 13.938 0.896 2.144 1.00 0.00 C ATOM 1397 OD1 ASP A 98 13.092 -0.019 2.057 1.00 0.00 O ATOM 1398 OD2 ASP A 98 15.139 0.694 2.423 1.00 0.00 O ATOM 0 H ASP A 98 12.427 4.629 2.465 1.00 0.00 H new ATOM 0 HA ASP A 98 11.370 1.968 1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.558 2.547 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.157 3.007 2.418 1.00 0.00 H new ATOM 1403 N ILE A 99 10.950 1.256 4.092 1.00 0.00 N ATOM 1404 CA ILE A 99 10.707 0.772 5.445 1.00 0.00 C ATOM 1405 C ILE A 99 11.293 -0.622 5.644 1.00 0.00 C ATOM 1406 O ILE A 99 11.194 -1.480 4.767 1.00 0.00 O ATOM 1407 CB ILE A 99 9.202 0.734 5.766 1.00 0.00 C ATOM 1408 CG1 ILE A 99 8.982 0.373 7.237 1.00 0.00 C ATOM 1409 CG2 ILE A 99 8.491 -0.259 4.859 1.00 0.00 C ATOM 1410 CD1 ILE A 99 7.718 0.965 7.822 1.00 0.00 C ATOM 0 H ILE A 99 10.334 0.856 3.384 1.00 0.00 H new ATOM 0 HA ILE A 99 11.198 1.470 6.123 1.00 0.00 H new ATOM 0 HB ILE A 99 8.782 1.724 5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.945 -0.712 7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.837 0.716 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.428 -0.274 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.624 0.038 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.911 -1.254 5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.627 0.668 8.867 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.761 2.052 7.756 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.854 0.602 7.265 1.00 0.00 H new ATOM 1422 N THR A 100 11.904 -0.841 6.804 1.00 0.00 N ATOM 1423 CA THR A 100 12.505 -2.131 7.119 1.00 0.00 C ATOM 1424 C THR A 100 12.076 -2.616 8.499 1.00 0.00 C ATOM 1425 O THR A 100 12.055 -1.846 9.460 1.00 0.00 O ATOM 1426 CB THR A 100 14.043 -2.061 7.068 1.00 0.00 C ATOM 1427 OG1 THR A 100 14.544 -1.415 8.243 1.00 0.00 O ATOM 1428 CG2 THR A 100 14.509 -1.308 5.831 1.00 0.00 C ATOM 0 H THR A 100 11.996 -0.142 7.541 1.00 0.00 H new ATOM 0 HA THR A 100 12.155 -2.835 6.364 1.00 0.00 H new ATOM 0 HB THR A 100 14.430 -3.079 7.022 1.00 0.00 H new ATOM 0 HG1 THR A 100 15.522 -1.376 8.203 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.598 -1.271 5.816 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.151 -1.819 4.937 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.112 -0.293 5.852 1.00 0.00 H new ATOM 1436 N PHE A 101 11.733 -3.896 8.591 1.00 0.00 N ATOM 1437 CA PHE A 101 11.303 -4.483 9.855 1.00 0.00 C ATOM 1438 C PHE A 101 11.832 -5.907 10.001 1.00 0.00 C ATOM 1439 O PHE A 101 12.557 -6.403 9.138 1.00 0.00 O ATOM 1440 CB PHE A 101 9.776 -4.482 9.950 1.00 0.00 C ATOM 1441 CG PHE A 101 9.093 -4.394 8.615 1.00 0.00 C ATOM 1442 CD1 PHE A 101 8.834 -5.538 7.878 1.00 0.00 C ATOM 1443 CD2 PHE A 101 8.711 -3.167 8.097 1.00 0.00 C ATOM 1444 CE1 PHE A 101 8.205 -5.462 6.649 1.00 0.00 C ATOM 1445 CE2 PHE A 101 8.082 -3.084 6.869 1.00 0.00 C ATOM 1446 CZ PHE A 101 7.829 -4.232 6.143 1.00 0.00 C ATOM 0 H PHE A 101 11.744 -4.547 7.806 1.00 0.00 H new ATOM 0 HA PHE A 101 11.710 -3.878 10.665 1.00 0.00 H new ATOM 0 HB2 PHE A 101 9.451 -5.391 10.457 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.459 -3.642 10.568 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.127 -6.501 8.268 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.907 -2.266 8.659 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.008 -6.362 6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.788 -2.122 6.477 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.339 -4.168 5.183 1.00 0.00 H new ATOM 1456 N ALA A 102 11.462 -6.560 11.098 1.00 0.00 N ATOM 1457 CA ALA A 102 11.897 -7.926 11.357 1.00 0.00 C ATOM 1458 C ALA A 102 11.196 -8.911 10.427 1.00 0.00 C ATOM 1459 O ALA A 102 10.124 -8.622 9.896 1.00 0.00 O ATOM 1460 CB ALA A 102 11.642 -8.296 12.810 1.00 0.00 C ATOM 0 H ALA A 102 10.862 -6.164 11.822 1.00 0.00 H new ATOM 0 HA ALA A 102 12.968 -7.982 11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.972 -9.319 12.988 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.195 -7.618 13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.576 -8.216 13.024 1.00 0.00 H new ATOM 1466 N ALA A 103 11.807 -10.075 10.234 1.00 0.00 N ATOM 1467 CA ALA A 103 11.240 -11.103 9.370 1.00 0.00 C ATOM 1468 C ALA A 103 9.876 -11.557 9.880 1.00 0.00 C ATOM 1469 O ALA A 103 9.781 -12.264 10.883 1.00 0.00 O ATOM 1470 CB ALA A 103 12.189 -12.288 9.266 1.00 0.00 C ATOM 0 H ALA A 103 12.696 -10.330 10.665 1.00 0.00 H new ATOM 0 HA ALA A 103 11.103 -10.674 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.753 -13.048 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.140 -11.957 8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.355 -12.709 10.258 1.00 0.00 H new ATOM 1476 N THR A 104 8.822 -11.146 9.181 1.00 0.00 N ATOM 1477 CA THR A 104 7.463 -11.510 9.564 1.00 0.00 C ATOM 1478 C THR A 104 6.687 -12.064 8.375 1.00 0.00 C ATOM 1479 O THR A 104 6.796 -11.557 7.260 1.00 0.00 O ATOM 1480 CB THR A 104 6.702 -10.303 10.143 1.00 0.00 C ATOM 1481 OG1 THR A 104 5.413 -10.716 10.612 1.00 0.00 O ATOM 1482 CG2 THR A 104 6.539 -9.212 9.095 1.00 0.00 C ATOM 0 H THR A 104 8.883 -10.561 8.347 1.00 0.00 H new ATOM 0 HA THR A 104 7.545 -12.280 10.331 1.00 0.00 H new ATOM 0 HB THR A 104 7.281 -9.902 10.975 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.824 -9.936 10.680 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.999 -8.370 9.527 1.00 0.00 H new ATOM 0 HG22 THR A 104 7.522 -8.879 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.980 -9.604 8.245 1.00 0.00 H new ATOM 1490 N ASN A 105 5.902 -13.108 8.622 1.00 0.00 N ATOM 1491 CA ASN A 105 5.107 -13.732 7.570 1.00 0.00 C ATOM 1492 C ASN A 105 3.746 -13.055 7.445 1.00 0.00 C ATOM 1493 O ASN A 105 3.077 -12.792 8.444 1.00 0.00 O ATOM 1494 CB ASN A 105 4.923 -15.223 7.857 1.00 0.00 C ATOM 1495 CG ASN A 105 4.696 -15.505 9.329 1.00 0.00 C ATOM 1496 OD1 ASN A 105 5.597 -15.337 10.152 1.00 0.00 O ATOM 1497 ND2 ASN A 105 3.486 -15.936 9.669 1.00 0.00 N ATOM 0 H ASN A 105 5.799 -13.539 9.541 1.00 0.00 H new ATOM 0 HA ASN A 105 5.640 -13.614 6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.076 -15.599 7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.804 -15.767 7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 105 3.274 -16.142 10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 105 2.770 -16.061 8.954 1.00 0.00 H new ATOM 1504 N ALA A 106 3.340 -12.776 6.209 1.00 0.00 N ATOM 1505 CA ALA A 106 2.057 -12.133 5.953 1.00 0.00 C ATOM 1506 C ALA A 106 1.542 -12.472 4.559 1.00 0.00 C ATOM 1507 O ALA A 106 2.321 -12.774 3.654 1.00 0.00 O ATOM 1508 CB ALA A 106 2.180 -10.626 6.120 1.00 0.00 C ATOM 0 H ALA A 106 3.882 -12.985 5.370 1.00 0.00 H new ATOM 0 HA ALA A 106 1.338 -12.511 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.215 -10.158 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.496 -10.397 7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.918 -10.241 5.416 1.00 0.00 H new ATOM 1514 N LYS A 107 0.225 -12.422 4.391 1.00 0.00 N ATOM 1515 CA LYS A 107 -0.395 -12.724 3.107 1.00 0.00 C ATOM 1516 C LYS A 107 -0.598 -11.452 2.289 1.00 0.00 C ATOM 1517 O LYS A 107 -0.316 -11.421 1.091 1.00 0.00 O ATOM 1518 CB LYS A 107 -1.738 -13.427 3.318 1.00 0.00 C ATOM 1519 CG LYS A 107 -1.606 -14.845 3.846 1.00 0.00 C ATOM 1520 CD LYS A 107 -2.856 -15.662 3.568 1.00 0.00 C ATOM 1521 CE LYS A 107 -2.518 -16.996 2.920 1.00 0.00 C ATOM 1522 NZ LYS A 107 -3.313 -18.113 3.500 1.00 0.00 N ATOM 0 H LYS A 107 -0.434 -12.175 5.129 1.00 0.00 H new ATOM 0 HA LYS A 107 0.272 -13.387 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.339 -12.843 4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.279 -13.449 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.745 -15.328 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.419 -14.819 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.393 -15.835 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.523 -15.098 2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.705 -16.936 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.455 -17.202 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.763 -18.994 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.535 -17.902 4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.197 -18.225 2.964 1.00 0.00 H new ATOM 1536 N PHE A 108 -1.089 -10.405 2.944 1.00 0.00 N ATOM 1537 CA PHE A 108 -1.329 -9.131 2.277 1.00 0.00 C ATOM 1538 C PHE A 108 -0.971 -7.962 3.191 1.00 0.00 C ATOM 1539 O PHE A 108 -1.132 -8.040 4.409 1.00 0.00 O ATOM 1540 CB PHE A 108 -2.793 -9.026 1.844 1.00 0.00 C ATOM 1541 CG PHE A 108 -3.757 -8.998 2.995 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -4.031 -7.813 3.658 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -4.390 -10.157 3.412 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -4.918 -7.786 4.718 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -5.279 -10.136 4.471 1.00 0.00 C ATOM 1546 CZ PHE A 108 -5.544 -8.948 5.124 1.00 0.00 C ATOM 0 H PHE A 108 -1.328 -10.414 3.935 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.692 -9.086 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.924 -8.122 1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.034 -9.871 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.546 -6.900 3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.187 -11.088 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.121 -6.856 5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.765 -11.047 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.239 -8.928 5.950 1.00 0.00 H new ATOM 1556 N VAL A 109 -0.484 -6.880 2.594 1.00 0.00 N ATOM 1557 CA VAL A 109 -0.104 -5.694 3.353 1.00 0.00 C ATOM 1558 C VAL A 109 -1.089 -4.554 3.122 1.00 0.00 C ATOM 1559 O VAL A 109 -1.735 -4.482 2.076 1.00 0.00 O ATOM 1560 CB VAL A 109 1.313 -5.218 2.979 1.00 0.00 C ATOM 1561 CG1 VAL A 109 1.778 -4.127 3.932 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.285 -6.389 2.980 1.00 0.00 C ATOM 0 H VAL A 109 -0.343 -6.799 1.587 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.119 -5.975 4.406 1.00 0.00 H new ATOM 0 HB VAL A 109 1.284 -4.800 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.781 -3.803 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.094 -3.280 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.793 -4.515 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.281 -6.035 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.313 -6.838 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.958 -7.134 2.254 1.00 0.00 H new ATOM 1572 N ARG A 110 -1.197 -3.664 4.103 1.00 0.00 N ATOM 1573 CA ARG A 110 -2.104 -2.527 4.007 1.00 0.00 C ATOM 1574 C ARG A 110 -1.418 -1.244 4.466 1.00 0.00 C ATOM 1575 O ARG A 110 -0.850 -1.188 5.557 1.00 0.00 O ATOM 1576 CB ARG A 110 -3.359 -2.775 4.846 1.00 0.00 C ATOM 1577 CG ARG A 110 -3.857 -4.211 4.788 1.00 0.00 C ATOM 1578 CD ARG A 110 -5.364 -4.286 4.977 1.00 0.00 C ATOM 1579 NE ARG A 110 -6.017 -5.010 3.889 1.00 0.00 N ATOM 1580 CZ ARG A 110 -7.319 -5.267 3.855 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -8.104 -4.859 4.843 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -7.839 -5.932 2.832 1.00 0.00 N ATOM 0 H ARG A 110 -0.667 -3.709 4.974 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.391 -2.411 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.150 -2.514 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.152 -2.110 4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.587 -4.652 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.363 -4.800 5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.586 -4.777 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.772 -3.277 5.038 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.441 -5.336 3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.708 -4.347 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.104 -5.057 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.238 -6.247 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.840 -6.129 2.807 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.475 -0.215 3.627 1.00 0.00 N ATOM 1597 CA VAL A 111 -0.860 1.067 3.946 1.00 0.00 C ATOM 1598 C VAL A 111 -1.897 2.185 3.964 1.00 0.00 C ATOM 1599 O VAL A 111 -2.747 2.271 3.078 1.00 0.00 O ATOM 1600 CB VAL A 111 0.249 1.426 2.938 1.00 0.00 C ATOM 1601 CG1 VAL A 111 1.212 0.261 2.768 1.00 0.00 C ATOM 1602 CG2 VAL A 111 -0.358 1.826 1.601 1.00 0.00 C ATOM 0 H VAL A 111 -1.941 -0.245 2.720 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.420 0.968 4.938 1.00 0.00 H new ATOM 0 HB VAL A 111 0.810 2.276 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.988 0.532 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.670 0.024 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.669 -0.610 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.438 2.077 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.943 0.996 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.005 2.692 1.740 1.00 0.00 H new ATOM 1612 N TYR A 112 -1.819 3.040 4.977 1.00 0.00 N ATOM 1613 CA TYR A 112 -2.753 4.151 5.112 1.00 0.00 C ATOM 1614 C TYR A 112 -2.037 5.408 5.600 1.00 0.00 C ATOM 1615 O TYR A 112 -0.966 5.331 6.201 1.00 0.00 O ATOM 1616 CB TYR A 112 -3.880 3.785 6.078 1.00 0.00 C ATOM 1617 CG TYR A 112 -3.397 3.446 7.471 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -3.010 2.153 7.797 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -3.330 4.419 8.461 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -2.569 1.838 9.068 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -2.890 4.113 9.733 1.00 0.00 C ATOM 1622 CZ TYR A 112 -2.510 2.822 10.033 1.00 0.00 C ATOM 1623 OH TYR A 112 -2.072 2.514 11.300 1.00 0.00 O ATOM 0 H TYR A 112 -1.119 2.985 5.717 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.179 4.355 4.130 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -4.581 4.618 6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.430 2.934 5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.054 1.380 7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -3.627 5.432 8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.272 0.827 9.305 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.844 4.882 10.490 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.090 3.320 11.857 1.00 0.00 H new ATOM 1633 N ALA A 113 -2.639 6.563 5.340 1.00 0.00 N ATOM 1634 CA ALA A 113 -2.062 7.836 5.754 1.00 0.00 C ATOM 1635 C ALA A 113 -2.885 8.474 6.868 1.00 0.00 C ATOM 1636 O ALA A 113 -4.011 8.058 7.140 1.00 0.00 O ATOM 1637 CB ALA A 113 -1.957 8.780 4.566 1.00 0.00 C ATOM 0 H ALA A 113 -3.527 6.644 4.844 1.00 0.00 H new ATOM 0 HA ALA A 113 -1.061 7.645 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.524 9.726 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.321 8.333 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.950 8.958 4.153 1.00 0.00 H new ATOM 1643 N THR A 114 -2.316 9.490 7.511 1.00 0.00 N ATOM 1644 CA THR A 114 -2.996 10.185 8.596 1.00 0.00 C ATOM 1645 C THR A 114 -3.672 11.456 8.096 1.00 0.00 C ATOM 1646 O THR A 114 -4.631 11.941 8.699 1.00 0.00 O ATOM 1647 CB THR A 114 -2.018 10.549 9.729 1.00 0.00 C ATOM 1648 OG1 THR A 114 -2.743 11.026 10.867 1.00 0.00 O ATOM 1649 CG2 THR A 114 -1.029 11.611 9.271 1.00 0.00 C ATOM 0 H THR A 114 -1.385 9.849 7.298 1.00 0.00 H new ATOM 0 HA THR A 114 -3.753 9.503 8.984 1.00 0.00 H new ATOM 0 HB THR A 114 -1.463 9.651 10.002 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.114 11.254 11.583 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.349 11.851 10.088 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.458 11.234 8.422 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.571 12.509 8.974 1.00 0.00 H new ATOM 1657 N THR A 115 -3.168 11.993 6.990 1.00 0.00 N ATOM 1658 CA THR A 115 -3.724 13.209 6.409 1.00 0.00 C ATOM 1659 C THR A 115 -3.737 13.134 4.886 1.00 0.00 C ATOM 1660 O THR A 115 -2.983 12.368 4.286 1.00 0.00 O ATOM 1661 CB THR A 115 -2.928 14.455 6.844 1.00 0.00 C ATOM 1662 OG1 THR A 115 -2.657 14.397 8.248 1.00 0.00 O ATOM 1663 CG2 THR A 115 -3.698 15.727 6.523 1.00 0.00 C ATOM 0 H THR A 115 -2.376 11.605 6.478 1.00 0.00 H new ATOM 0 HA THR A 115 -4.747 13.295 6.775 1.00 0.00 H new ATOM 0 HB THR A 115 -1.987 14.469 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.604 15.307 8.609 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.117 16.594 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.878 15.782 5.449 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.652 15.718 7.051 1.00 0.00 H new ATOM 1671 N ARG A 116 -4.598 13.935 4.266 1.00 0.00 N ATOM 1672 CA ARG A 116 -4.710 13.960 2.813 1.00 0.00 C ATOM 1673 C ARG A 116 -3.361 14.268 2.170 1.00 0.00 C ATOM 1674 O ARG A 116 -2.448 14.767 2.827 1.00 0.00 O ATOM 1675 CB ARG A 116 -5.744 14.998 2.376 1.00 0.00 C ATOM 1676 CG ARG A 116 -5.265 16.434 2.518 1.00 0.00 C ATOM 1677 CD ARG A 116 -6.375 17.346 3.014 1.00 0.00 C ATOM 1678 NE ARG A 116 -6.411 18.611 2.285 1.00 0.00 N ATOM 1679 CZ ARG A 116 -7.322 19.555 2.495 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -8.266 19.377 3.408 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -7.289 20.679 1.791 1.00 0.00 N ATOM 0 H ARG A 116 -5.228 14.576 4.748 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.035 12.974 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -6.012 14.815 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -6.650 14.866 2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.425 16.471 3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.900 16.794 1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -7.334 16.840 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.234 17.544 4.077 1.00 0.00 H new ATOM 0 HE ARG A 116 -5.698 18.779 1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -8.294 18.514 3.951 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -8.964 20.103 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.564 20.819 1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -7.989 21.403 1.953 1.00 0.00 H new ATOM 1695 N ALA A 117 -3.243 13.968 0.880 1.00 0.00 N ATOM 1696 CA ALA A 117 -2.008 14.215 0.148 1.00 0.00 C ATOM 1697 C ALA A 117 -2.059 15.554 -0.579 1.00 0.00 C ATOM 1698 O ALA A 117 -1.417 16.522 -0.167 1.00 0.00 O ATOM 1699 CB ALA A 117 -1.744 13.086 -0.838 1.00 0.00 C ATOM 0 H ALA A 117 -3.989 13.553 0.321 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.190 14.253 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.818 13.284 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.655 12.144 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.570 13.021 -1.546 1.00 0.00 H new ATOM 1705 N THR A 118 -2.825 15.606 -1.664 1.00 0.00 N ATOM 1706 CA THR A 118 -2.958 16.825 -2.450 1.00 0.00 C ATOM 1707 C THR A 118 -4.174 16.759 -3.368 1.00 0.00 C ATOM 1708 O THR A 118 -5.007 15.861 -3.246 1.00 0.00 O ATOM 1709 CB THR A 118 -1.701 17.086 -3.301 1.00 0.00 C ATOM 1710 OG1 THR A 118 -0.620 16.264 -2.843 1.00 0.00 O ATOM 1711 CG2 THR A 118 -1.295 18.550 -3.233 1.00 0.00 C ATOM 0 H THR A 118 -3.364 14.816 -2.019 1.00 0.00 H new ATOM 0 HA THR A 118 -3.085 17.644 -1.742 1.00 0.00 H new ATOM 0 HB THR A 118 -1.933 16.838 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.145 16.363 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.405 18.709 -3.842 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.108 19.171 -3.609 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.081 18.820 -2.199 1.00 0.00 H new ATOM 1719 N ALA A 119 -4.268 17.714 -4.287 1.00 0.00 N ATOM 1720 CA ALA A 119 -5.381 17.761 -5.228 1.00 0.00 C ATOM 1721 C ALA A 119 -5.421 16.507 -6.094 1.00 0.00 C ATOM 1722 O ALA A 119 -6.438 16.205 -6.719 1.00 0.00 O ATOM 1723 CB ALA A 119 -5.283 19.005 -6.099 1.00 0.00 C ATOM 0 H ALA A 119 -3.587 18.465 -4.400 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.308 17.804 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.120 19.027 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.312 19.894 -5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.346 18.986 -6.656 1.00 0.00 H new ATOM 1729 N TYR A 120 -4.309 15.781 -6.129 1.00 0.00 N ATOM 1730 CA TYR A 120 -4.216 14.562 -6.922 1.00 0.00 C ATOM 1731 C TYR A 120 -4.888 13.394 -6.206 1.00 0.00 C ATOM 1732 O TYR A 120 -5.872 12.837 -6.692 1.00 0.00 O ATOM 1733 CB TYR A 120 -2.752 14.225 -7.208 1.00 0.00 C ATOM 1734 CG TYR A 120 -2.541 13.519 -8.528 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -3.425 12.543 -8.967 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -1.454 13.830 -9.338 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -3.235 11.895 -10.172 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -1.256 13.188 -10.545 1.00 0.00 C ATOM 1739 CZ TYR A 120 -2.150 12.221 -10.958 1.00 0.00 C ATOM 1740 OH TYR A 120 -1.958 11.579 -12.159 1.00 0.00 O ATOM 0 H TYR A 120 -3.459 16.016 -5.617 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.734 14.733 -7.866 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.168 15.145 -7.200 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.369 13.597 -6.404 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -4.277 12.286 -8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.753 14.586 -9.018 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -3.933 11.137 -10.497 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.407 13.441 -11.162 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.149 11.926 -12.590 1.00 0.00 H new ATOM 1750 N GLY A 121 -4.349 13.029 -5.047 1.00 0.00 N ATOM 1751 CA GLY A 121 -4.909 11.931 -4.282 1.00 0.00 C ATOM 1752 C GLY A 121 -3.844 10.993 -3.748 1.00 0.00 C ATOM 1753 O GLY A 121 -3.019 11.386 -2.921 1.00 0.00 O ATOM 0 H GLY A 121 -3.534 13.474 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.487 12.331 -3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.601 11.370 -4.910 1.00 0.00 H new ATOM 1757 N TYR A 122 -3.859 9.753 -4.221 1.00 0.00 N ATOM 1758 CA TYR A 122 -2.889 8.755 -3.784 1.00 0.00 C ATOM 1759 C TYR A 122 -2.445 7.880 -4.952 1.00 0.00 C ATOM 1760 O TYR A 122 -3.270 7.301 -5.658 1.00 0.00 O ATOM 1761 CB TYR A 122 -3.486 7.885 -2.677 1.00 0.00 C ATOM 1762 CG TYR A 122 -3.426 8.522 -1.307 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -4.234 9.606 -0.987 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -2.562 8.040 -0.332 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -4.182 10.192 0.262 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -2.504 8.619 0.921 1.00 0.00 C ATOM 1767 CZ TYR A 122 -3.316 9.694 1.213 1.00 0.00 C ATOM 1768 OH TYR A 122 -3.262 10.274 2.460 1.00 0.00 O ATOM 0 H TYR A 122 -4.532 9.414 -4.908 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.016 9.278 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -4.525 7.664 -2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -2.956 6.933 -2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -4.915 9.997 -1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -1.924 7.198 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -4.816 11.035 0.493 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.826 8.232 1.667 1.00 0.00 H new ATOM 0 HH TYR A 122 -3.088 11.234 2.367 1.00 0.00 H new ATOM 1778 N SER A 123 -1.133 7.786 -5.146 1.00 0.00 N ATOM 1779 CA SER A 123 -0.576 6.983 -6.229 1.00 0.00 C ATOM 1780 C SER A 123 0.680 6.249 -5.771 1.00 0.00 C ATOM 1781 O SER A 123 1.498 6.797 -5.030 1.00 0.00 O ATOM 1782 CB SER A 123 -0.252 7.868 -7.434 1.00 0.00 C ATOM 1783 OG SER A 123 -1.102 9.002 -7.477 1.00 0.00 O ATOM 0 H SER A 123 -0.436 8.256 -4.568 1.00 0.00 H new ATOM 0 HA SER A 123 -1.322 6.244 -6.520 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.788 8.191 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.362 7.292 -8.353 1.00 0.00 H new ATOM 0 HG SER A 123 -1.119 9.364 -8.388 1.00 0.00 H new ATOM 1789 N LEU A 124 0.826 5.006 -6.215 1.00 0.00 N ATOM 1790 CA LEU A 124 1.983 4.194 -5.851 1.00 0.00 C ATOM 1791 C LEU A 124 2.642 3.599 -7.091 1.00 0.00 C ATOM 1792 O LEU A 124 2.573 2.392 -7.324 1.00 0.00 O ATOM 1793 CB LEU A 124 1.565 3.077 -4.894 1.00 0.00 C ATOM 1794 CG LEU A 124 0.307 2.297 -5.280 1.00 0.00 C ATOM 1795 CD1 LEU A 124 0.669 0.891 -5.734 1.00 0.00 C ATOM 1796 CD2 LEU A 124 -0.668 2.249 -4.114 1.00 0.00 C ATOM 0 H LEU A 124 0.158 4.538 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 124 2.707 4.838 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 124 2.392 2.373 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.410 3.511 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.176 2.811 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.238 0.351 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.330 0.947 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.176 0.366 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.557 1.690 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.194 1.758 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.952 3.264 -3.835 1.00 0.00 H new ATOM 1808 N TRP A 125 3.281 4.453 -7.882 1.00 0.00 N ATOM 1809 CA TRP A 125 3.954 4.009 -9.098 1.00 0.00 C ATOM 1810 C TRP A 125 5.222 3.230 -8.765 1.00 0.00 C ATOM 1811 O TRP A 125 5.824 2.607 -9.639 1.00 0.00 O ATOM 1812 CB TRP A 125 4.297 5.210 -9.983 1.00 0.00 C ATOM 1813 CG TRP A 125 3.138 6.135 -10.203 1.00 0.00 C ATOM 1814 CD1 TRP A 125 1.812 5.808 -10.184 1.00 0.00 C ATOM 1815 CD2 TRP A 125 3.202 7.539 -10.477 1.00 0.00 C ATOM 1816 NE1 TRP A 125 1.048 6.923 -10.429 1.00 0.00 N ATOM 1817 CE2 TRP A 125 1.877 7.997 -10.612 1.00 0.00 C ATOM 1818 CE3 TRP A 125 4.250 8.453 -10.620 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 1.575 9.329 -10.885 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 3.948 9.774 -10.890 1.00 0.00 C ATOM 1821 CH2 TRP A 125 2.621 10.202 -11.019 1.00 0.00 C ATOM 0 H TRP A 125 3.348 5.455 -7.704 1.00 0.00 H new ATOM 0 HA TRP A 125 3.276 3.349 -9.639 1.00 0.00 H new ATOM 0 HB2 TRP A 125 5.116 5.767 -9.527 1.00 0.00 H new ATOM 0 HB3 TRP A 125 4.655 4.851 -10.948 1.00 0.00 H new ATOM 0 HD1 TRP A 125 1.421 4.818 -10.003 1.00 0.00 H new ATOM 0 HE1 TRP A 125 0.029 6.947 -10.468 1.00 0.00 H new ATOM 0 HE3 TRP A 125 5.277 8.133 -10.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.552 9.661 -10.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 4.749 10.489 -11.004 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.419 11.242 -11.228 1.00 0.00 H new ATOM 1832 N GLU A 126 5.620 3.270 -7.497 1.00 0.00 N ATOM 1833 CA GLU A 126 6.817 2.566 -7.052 1.00 0.00 C ATOM 1834 C GLU A 126 6.603 1.950 -5.672 1.00 0.00 C ATOM 1835 O GLU A 126 7.201 2.384 -4.687 1.00 0.00 O ATOM 1836 CB GLU A 126 8.013 3.520 -7.016 1.00 0.00 C ATOM 1837 CG GLU A 126 8.810 3.544 -8.310 1.00 0.00 C ATOM 1838 CD GLU A 126 8.964 4.944 -8.874 1.00 0.00 C ATOM 1839 OE1 GLU A 126 9.384 5.846 -8.119 1.00 0.00 O ATOM 1840 OE2 GLU A 126 8.664 5.137 -10.071 1.00 0.00 O ATOM 0 H GLU A 126 5.132 3.781 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 126 7.022 1.765 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.657 4.527 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 126 8.673 3.232 -6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 126 9.797 3.117 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 126 8.317 2.911 -9.048 1.00 0.00 H new ATOM 1847 N PHE A 127 5.747 0.936 -5.610 1.00 0.00 N ATOM 1848 CA PHE A 127 5.452 0.261 -4.351 1.00 0.00 C ATOM 1849 C PHE A 127 5.751 -1.233 -4.453 1.00 0.00 C ATOM 1850 O PHE A 127 5.011 -1.981 -5.091 1.00 0.00 O ATOM 1851 CB PHE A 127 3.988 0.474 -3.964 1.00 0.00 C ATOM 1852 CG PHE A 127 3.572 -0.296 -2.743 1.00 0.00 C ATOM 1853 CD1 PHE A 127 4.494 -0.609 -1.758 1.00 0.00 C ATOM 1854 CD2 PHE A 127 2.259 -0.707 -2.582 1.00 0.00 C ATOM 1855 CE1 PHE A 127 4.115 -1.317 -0.633 1.00 0.00 C ATOM 1856 CE2 PHE A 127 1.873 -1.415 -1.459 1.00 0.00 C ATOM 1857 CZ PHE A 127 2.803 -1.722 -0.484 1.00 0.00 C ATOM 0 H PHE A 127 5.245 0.563 -6.416 1.00 0.00 H new ATOM 0 HA PHE A 127 6.090 0.690 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.818 1.536 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.353 0.183 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.522 -0.296 -1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.529 -0.472 -3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.844 -1.553 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.846 -1.728 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.504 -2.278 0.393 1.00 0.00 H new ATOM 1867 N GLU A 128 6.840 -1.657 -3.820 1.00 0.00 N ATOM 1868 CA GLU A 128 7.236 -3.060 -3.840 1.00 0.00 C ATOM 1869 C GLU A 128 6.873 -3.748 -2.527 1.00 0.00 C ATOM 1870 O GLU A 128 7.302 -3.325 -1.453 1.00 0.00 O ATOM 1871 CB GLU A 128 8.740 -3.184 -4.094 1.00 0.00 C ATOM 1872 CG GLU A 128 9.101 -3.311 -5.565 1.00 0.00 C ATOM 1873 CD GLU A 128 9.737 -2.051 -6.121 1.00 0.00 C ATOM 1874 OE1 GLU A 128 9.183 -0.956 -5.892 1.00 0.00 O ATOM 1875 OE2 GLU A 128 10.788 -2.162 -6.785 1.00 0.00 O ATOM 0 H GLU A 128 7.463 -1.050 -3.288 1.00 0.00 H new ATOM 0 HA GLU A 128 6.695 -3.552 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 128 9.243 -2.311 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 128 9.120 -4.054 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 128 9.787 -4.148 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 128 8.203 -3.543 -6.137 1.00 0.00 H new ATOM 1882 N VAL A 129 6.079 -4.809 -2.622 1.00 0.00 N ATOM 1883 CA VAL A 129 5.658 -5.556 -1.443 1.00 0.00 C ATOM 1884 C VAL A 129 5.580 -7.050 -1.738 1.00 0.00 C ATOM 1885 O VAL A 129 4.746 -7.494 -2.528 1.00 0.00 O ATOM 1886 CB VAL A 129 4.289 -5.072 -0.932 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.292 -4.983 -2.077 1.00 0.00 C ATOM 1888 CG2 VAL A 129 3.774 -5.993 0.165 1.00 0.00 C ATOM 0 H VAL A 129 5.714 -5.171 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 129 6.408 -5.380 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 129 4.410 -4.074 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.330 -4.639 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.659 -4.280 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.172 -5.966 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.805 -5.636 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.668 -7.004 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.480 -6.000 0.996 1.00 0.00 H new ATOM 1898 N TYR A 130 6.452 -7.821 -1.099 1.00 0.00 N ATOM 1899 CA TYR A 130 6.482 -9.266 -1.293 1.00 0.00 C ATOM 1900 C TYR A 130 7.584 -9.905 -0.456 1.00 0.00 C ATOM 1901 O TYR A 130 8.514 -9.232 -0.013 1.00 0.00 O ATOM 1902 CB TYR A 130 6.691 -9.597 -2.772 1.00 0.00 C ATOM 1903 CG TYR A 130 7.792 -8.791 -3.424 1.00 0.00 C ATOM 1904 CD1 TYR A 130 9.124 -8.994 -3.085 1.00 0.00 C ATOM 1905 CD2 TYR A 130 7.499 -7.825 -4.379 1.00 0.00 C ATOM 1906 CE1 TYR A 130 10.132 -8.258 -3.676 1.00 0.00 C ATOM 1907 CE2 TYR A 130 8.501 -7.086 -4.978 1.00 0.00 C ATOM 1908 CZ TYR A 130 9.816 -7.306 -4.623 1.00 0.00 C ATOM 1909 OH TYR A 130 10.817 -6.572 -5.216 1.00 0.00 O ATOM 0 H TYR A 130 7.148 -7.470 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 130 5.524 -9.672 -0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.923 -10.658 -2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 130 5.759 -9.424 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 130 9.376 -9.741 -2.346 1.00 0.00 H new ATOM 0 HD2 TYR A 130 6.471 -7.649 -4.658 1.00 0.00 H new ATOM 0 HE1 TYR A 130 11.162 -8.427 -3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 130 8.256 -6.340 -5.720 1.00 0.00 H new ATOM 0 HH TYR A 130 10.547 -6.325 -6.125 1.00 0.00 H new ATOM 1919 N GLY A 131 7.474 -11.213 -0.244 1.00 0.00 N ATOM 1920 CA GLY A 131 8.468 -11.924 0.540 1.00 0.00 C ATOM 1921 C GLY A 131 9.163 -13.012 -0.255 1.00 0.00 C ATOM 1922 O GLY A 131 10.346 -12.893 -0.579 1.00 0.00 O ATOM 0 H GLY A 131 6.715 -11.793 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.211 -11.216 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 131 7.989 -12.366 1.414 1.00 0.00 H new TER 1926 GLY A 131