USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 842 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 2 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -1.63! C(o=-1.6!,f=-4.4!) USER MOD Set 1.3: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.484 X(o=0.66,f=0.45) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -151:sc= 1.15 (180deg=-0.488) USER MOD Set 3.1: A 29 LYS NZ :NH3+ 163:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 27 HIS : no HE2:sc= -0.749 K(o=1.6,f=-8.3!) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 155:sc= 2.4 (180deg=0.81) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00183) USER MOD Single : A 3 MET CE :methyl 161:sc= -2.11 (180deg=-2.75) USER MOD Single : A 4 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 40:sc= 0.151 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.583 K(o=0.58,f=-0.06) USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= -0.0377 (180deg=-1.57) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 139:sc= 0.0175 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.946) USER MOD Single : A 56 SER OG : rot -120:sc= 0.978 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -170:sc= -0.382 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.407 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 105 THR OG1 : rot -25:sc= 0.0246 USER MOD Single : A 110 SER OG : rot -26:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.267 -0.469 12.775 1.00 4.54 N ATOM 2 CA MET A 1 7.927 -1.551 13.729 1.00 3.33 C ATOM 3 C MET A 1 7.401 -2.808 13.034 1.00 1.91 C ATOM 4 O MET A 1 7.679 -3.894 13.524 1.00 2.85 O ATOM 5 CB MET A 1 6.988 -1.038 14.831 1.00 3.49 C ATOM 6 CG MET A 1 6.943 -1.953 16.062 1.00 3.85 C ATOM 7 SD MET A 1 7.154 -1.048 17.621 1.00 5.24 S ATOM 8 CE MET A 1 5.936 -1.881 18.671 1.00 5.39 C ATOM 0 H1 MET A 1 8.634 0.352 13.298 1.00 4.54 H new ATOM 0 H2 MET A 1 8.991 -0.808 12.110 1.00 4.54 H new ATOM 0 H3 MET A 1 7.415 -0.191 12.247 1.00 4.54 H new ATOM 0 HA MET A 1 8.853 -1.860 14.214 1.00 3.33 H new ATOM 0 HB2 MET A 1 7.309 -0.042 15.138 1.00 3.49 H new ATOM 0 HB3 MET A 1 5.982 -0.938 14.424 1.00 3.49 H new ATOM 0 HG2 MET A 1 5.990 -2.482 16.081 1.00 3.85 H new ATOM 0 HG3 MET A 1 7.725 -2.707 15.977 1.00 3.85 H new ATOM 0 HE1 MET A 1 5.947 -1.435 19.665 1.00 5.39 H new ATOM 0 HE2 MET A 1 4.943 -1.770 18.235 1.00 5.39 H new ATOM 0 HE3 MET A 1 6.184 -2.940 18.746 1.00 5.39 H new ATOM 20 N SER A 2 6.702 -2.684 11.895 1.00 1.29 N ATOM 21 CA SER A 2 6.097 -3.822 11.190 1.00 2.46 C ATOM 22 C SER A 2 6.891 -4.236 9.941 1.00 1.73 C ATOM 23 O SER A 2 7.455 -5.334 9.873 1.00 1.57 O ATOM 24 CB SER A 2 4.635 -3.471 10.854 1.00 4.57 C ATOM 25 OG SER A 2 3.937 -3.181 12.051 1.00 5.33 O ATOM 0 H SER A 2 6.541 -1.787 11.436 1.00 1.29 H new ATOM 0 HA SER A 2 6.121 -4.693 11.845 1.00 2.46 H new ATOM 0 HB2 SER A 2 4.600 -2.613 10.182 1.00 4.57 H new ATOM 0 HB3 SER A 2 4.159 -4.303 10.334 1.00 4.57 H new ATOM 0 HG SER A 2 3.133 -2.661 11.843 1.00 5.33 H new ATOM 31 N MET A 3 6.927 -3.340 8.950 1.00 1.40 N ATOM 32 CA MET A 3 7.349 -3.572 7.565 1.00 1.13 C ATOM 33 C MET A 3 8.865 -3.706 7.426 1.00 1.05 C ATOM 34 O MET A 3 9.569 -2.779 7.023 1.00 2.22 O ATOM 35 CB MET A 3 6.850 -2.413 6.690 1.00 1.00 C ATOM 36 CG MET A 3 5.369 -2.127 6.895 1.00 1.55 C ATOM 37 SD MET A 3 4.283 -3.568 6.868 1.00 2.39 S ATOM 38 CE MET A 3 4.667 -4.289 5.254 1.00 3.74 C ATOM 0 H MET A 3 6.644 -2.372 9.103 1.00 1.40 H new ATOM 0 HA MET A 3 6.915 -4.517 7.240 1.00 1.13 H new ATOM 0 HB2 MET A 3 7.425 -1.516 6.918 1.00 1.00 H new ATOM 0 HB3 MET A 3 7.030 -2.650 5.641 1.00 1.00 H new ATOM 0 HG2 MET A 3 5.245 -1.619 7.851 1.00 1.55 H new ATOM 0 HG3 MET A 3 5.041 -1.433 6.121 1.00 1.55 H new ATOM 0 HE1 MET A 3 4.346 -5.330 5.235 1.00 3.74 H new ATOM 0 HE2 MET A 3 4.146 -3.734 4.474 1.00 3.74 H new ATOM 0 HE3 MET A 3 5.742 -4.238 5.079 1.00 3.74 H new ATOM 48 N THR A 4 9.376 -4.858 7.850 1.00 0.86 N ATOM 49 CA THR A 4 10.789 -5.083 8.168 1.00 0.48 C ATOM 50 C THR A 4 10.950 -6.476 8.770 1.00 0.52 C ATOM 51 O THR A 4 11.697 -7.284 8.221 1.00 0.69 O ATOM 52 CB THR A 4 11.276 -3.969 9.127 1.00 0.86 C ATOM 53 OG1 THR A 4 11.743 -2.889 8.355 1.00 0.88 O ATOM 54 CG2 THR A 4 12.391 -4.338 10.087 1.00 1.27 C ATOM 0 H THR A 4 8.802 -5.690 7.987 1.00 0.86 H new ATOM 0 HA THR A 4 11.403 -5.038 7.269 1.00 0.48 H new ATOM 0 HB THR A 4 10.407 -3.743 9.745 1.00 0.86 H new ATOM 0 HG1 THR A 4 10.984 -2.443 7.924 1.00 0.88 H new ATOM 0 HG21 THR A 4 12.641 -3.474 10.703 1.00 1.27 H new ATOM 0 HG22 THR A 4 12.064 -5.158 10.727 1.00 1.27 H new ATOM 0 HG23 THR A 4 13.270 -4.648 9.522 1.00 1.27 H new ATOM 62 N ASP A 5 10.220 -6.746 9.860 1.00 0.66 N ATOM 63 CA ASP A 5 10.375 -7.942 10.698 1.00 0.75 C ATOM 64 C ASP A 5 9.162 -8.869 10.577 1.00 0.73 C ATOM 65 O ASP A 5 9.304 -10.086 10.515 1.00 0.95 O ATOM 66 CB ASP A 5 10.555 -7.498 12.165 1.00 0.84 C ATOM 67 CG ASP A 5 11.448 -8.411 13.016 1.00 1.37 C ATOM 68 OD1 ASP A 5 11.896 -9.461 12.510 1.00 2.75 O ATOM 69 OD2 ASP A 5 11.693 -8.012 14.175 1.00 1.83 O ATOM 0 H ASP A 5 9.485 -6.121 10.192 1.00 0.66 H new ATOM 0 HA ASP A 5 11.250 -8.498 10.361 1.00 0.75 H new ATOM 0 HB2 ASP A 5 10.975 -6.492 12.175 1.00 0.84 H new ATOM 0 HB3 ASP A 5 9.573 -7.437 12.633 1.00 0.84 H new ATOM 74 N LEU A 6 7.958 -8.287 10.487 1.00 0.64 N ATOM 75 CA LEU A 6 6.738 -9.034 10.206 1.00 0.75 C ATOM 76 C LEU A 6 6.803 -9.611 8.790 1.00 0.65 C ATOM 77 O LEU A 6 6.581 -10.801 8.567 1.00 0.73 O ATOM 78 CB LEU A 6 5.537 -8.090 10.402 1.00 0.90 C ATOM 79 CG LEU A 6 5.326 -7.573 11.836 1.00 1.03 C ATOM 80 CD1 LEU A 6 3.933 -6.946 11.971 1.00 1.62 C ATOM 81 CD2 LEU A 6 5.423 -8.676 12.899 1.00 1.77 C ATOM 0 H LEU A 6 7.809 -7.285 10.608 1.00 0.64 H new ATOM 0 HA LEU A 6 6.626 -9.877 10.888 1.00 0.75 H new ATOM 0 HB2 LEU A 6 5.660 -7.233 9.740 1.00 0.90 H new ATOM 0 HB3 LEU A 6 4.633 -8.610 10.086 1.00 0.90 H new ATOM 0 HG LEU A 6 6.122 -6.848 12.006 1.00 1.03 H new ATOM 0 HD11 LEU A 6 3.794 -6.584 12.990 1.00 1.62 H new ATOM 0 HD12 LEU A 6 3.840 -6.113 11.274 1.00 1.62 H new ATOM 0 HD13 LEU A 6 3.174 -7.695 11.746 1.00 1.62 H new ATOM 0 HD21 LEU A 6 5.265 -8.244 13.887 1.00 1.77 H new ATOM 0 HD22 LEU A 6 4.663 -9.433 12.708 1.00 1.77 H new ATOM 0 HD23 LEU A 6 6.411 -9.135 12.858 1.00 1.77 H new ATOM 93 N LEU A 7 7.193 -8.743 7.854 1.00 0.57 N ATOM 94 CA LEU A 7 7.332 -9.036 6.442 1.00 0.50 C ATOM 95 C LEU A 7 8.693 -9.643 6.091 1.00 0.61 C ATOM 96 O LEU A 7 8.799 -10.863 6.042 1.00 1.32 O ATOM 97 CB LEU A 7 6.955 -7.764 5.656 1.00 0.55 C ATOM 98 CG LEU A 7 5.626 -7.870 4.909 1.00 1.06 C ATOM 99 CD1 LEU A 7 5.790 -8.890 3.793 1.00 2.70 C ATOM 100 CD2 LEU A 7 4.439 -8.184 5.818 1.00 1.40 C ATOM 0 H LEU A 7 7.429 -7.776 8.079 1.00 0.57 H new ATOM 0 HA LEU A 7 6.643 -9.828 6.146 1.00 0.50 H new ATOM 0 HB2 LEU A 7 6.906 -6.923 6.347 1.00 0.55 H new ATOM 0 HB3 LEU A 7 7.747 -7.543 4.940 1.00 0.55 H new ATOM 0 HG LEU A 7 5.384 -6.895 4.486 1.00 1.06 H new ATOM 0 HD11 LEU A 7 4.853 -8.983 3.245 1.00 2.70 H new ATOM 0 HD12 LEU A 7 6.577 -8.563 3.114 1.00 2.70 H new ATOM 0 HD13 LEU A 7 6.058 -9.856 4.220 1.00 2.70 H new ATOM 0 HD21 LEU A 7 3.529 -8.245 5.221 1.00 1.40 H new ATOM 0 HD22 LEU A 7 4.607 -9.137 6.320 1.00 1.40 H new ATOM 0 HD23 LEU A 7 4.332 -7.395 6.563 1.00 1.40 H new ATOM 112 N ASN A 8 9.683 -8.787 5.815 1.00 0.43 N ATOM 113 CA ASN A 8 11.044 -9.038 5.334 1.00 0.42 C ATOM 114 C ASN A 8 11.565 -7.735 4.720 1.00 0.36 C ATOM 115 O ASN A 8 11.062 -7.321 3.676 1.00 0.40 O ATOM 116 CB ASN A 8 11.116 -10.134 4.246 1.00 0.52 C ATOM 117 CG ASN A 8 11.309 -11.540 4.784 1.00 0.72 C ATOM 118 OD1 ASN A 8 12.178 -11.810 5.595 1.00 1.44 O ATOM 119 ND2 ASN A 8 10.505 -12.477 4.326 1.00 1.36 N ATOM 0 H ASN A 8 9.530 -7.786 5.938 1.00 0.43 H new ATOM 0 HA ASN A 8 11.637 -9.380 6.182 1.00 0.42 H new ATOM 0 HB2 ASN A 8 10.199 -10.106 3.658 1.00 0.52 H new ATOM 0 HB3 ASN A 8 11.937 -9.902 3.567 1.00 0.52 H new ATOM 0 HD21 ASN A 8 10.606 -13.439 4.650 1.00 1.36 H new ATOM 0 HD22 ASN A 8 9.781 -12.241 3.648 1.00 1.36 H new ATOM 126 N ALA A 9 12.577 -7.100 5.322 1.00 0.34 N ATOM 127 CA ALA A 9 13.254 -5.937 4.733 1.00 0.33 C ATOM 128 C ALA A 9 13.723 -6.181 3.277 1.00 0.30 C ATOM 129 O ALA A 9 13.609 -5.295 2.430 1.00 0.31 O ATOM 130 CB ALA A 9 14.413 -5.541 5.654 1.00 0.41 C ATOM 0 H ALA A 9 12.950 -7.377 6.230 1.00 0.34 H new ATOM 0 HA ALA A 9 12.542 -5.115 4.659 1.00 0.33 H new ATOM 0 HB1 ALA A 9 14.931 -4.678 5.236 1.00 0.41 H new ATOM 0 HB2 ALA A 9 14.024 -5.288 6.640 1.00 0.41 H new ATOM 0 HB3 ALA A 9 15.109 -6.375 5.742 1.00 0.41 H new ATOM 136 N GLU A 10 14.180 -7.405 2.973 1.00 0.30 N ATOM 137 CA GLU A 10 14.517 -7.898 1.629 1.00 0.29 C ATOM 138 C GLU A 10 13.349 -7.777 0.645 1.00 0.32 C ATOM 139 O GLU A 10 13.475 -7.139 -0.401 1.00 0.53 O ATOM 140 CB GLU A 10 14.963 -9.367 1.739 1.00 0.38 C ATOM 141 CG GLU A 10 16.441 -9.468 2.138 1.00 1.11 C ATOM 142 CD GLU A 10 16.776 -10.812 2.795 1.00 1.66 C ATOM 143 OE1 GLU A 10 16.414 -11.852 2.202 1.00 2.45 O ATOM 144 OE2 GLU A 10 17.406 -10.771 3.875 1.00 2.50 O ATOM 0 H GLU A 10 14.332 -8.112 3.692 1.00 0.30 H new ATOM 0 HA GLU A 10 15.322 -7.278 1.235 1.00 0.29 H new ATOM 0 HB2 GLU A 10 14.348 -9.883 2.477 1.00 0.38 H new ATOM 0 HB3 GLU A 10 14.806 -9.870 0.785 1.00 0.38 H new ATOM 0 HG2 GLU A 10 17.064 -9.333 1.254 1.00 1.11 H new ATOM 0 HG3 GLU A 10 16.685 -8.659 2.826 1.00 1.11 H new ATOM 151 N ASP A 11 12.210 -8.388 0.976 1.00 0.25 N ATOM 152 CA ASP A 11 11.015 -8.368 0.143 1.00 0.28 C ATOM 153 C ASP A 11 10.457 -6.929 0.049 1.00 0.23 C ATOM 154 O ASP A 11 10.078 -6.478 -1.037 1.00 0.25 O ATOM 155 CB ASP A 11 9.963 -9.359 0.681 1.00 0.35 C ATOM 156 CG ASP A 11 10.387 -10.806 0.988 1.00 0.71 C ATOM 157 OD1 ASP A 11 11.568 -11.154 0.789 1.00 1.92 O ATOM 158 OD2 ASP A 11 9.514 -11.585 1.450 1.00 1.81 O ATOM 0 H ASP A 11 12.094 -8.916 1.841 1.00 0.25 H new ATOM 0 HA ASP A 11 11.276 -8.690 -0.865 1.00 0.28 H new ATOM 0 HB2 ASP A 11 9.551 -8.936 1.597 1.00 0.35 H new ATOM 0 HB3 ASP A 11 9.150 -9.401 -0.044 1.00 0.35 H new ATOM 163 N ILE A 12 10.488 -6.167 1.159 1.00 0.22 N ATOM 164 CA ILE A 12 10.142 -4.736 1.211 1.00 0.25 C ATOM 165 C ILE A 12 10.928 -3.923 0.180 1.00 0.28 C ATOM 166 O ILE A 12 10.355 -3.037 -0.449 1.00 0.37 O ATOM 167 CB ILE A 12 10.262 -4.163 2.653 1.00 0.29 C ATOM 168 CG1 ILE A 12 8.880 -4.034 3.329 1.00 0.42 C ATOM 169 CG2 ILE A 12 10.908 -2.779 2.749 1.00 0.36 C ATOM 170 CD1 ILE A 12 8.484 -5.344 3.985 1.00 0.53 C ATOM 0 H ILE A 12 10.762 -6.541 2.068 1.00 0.22 H new ATOM 0 HA ILE A 12 9.092 -4.644 0.934 1.00 0.25 H new ATOM 0 HB ILE A 12 10.906 -4.888 3.151 1.00 0.29 H new ATOM 0 HG12 ILE A 12 8.907 -3.240 4.076 1.00 0.42 H new ATOM 0 HG13 ILE A 12 8.132 -3.750 2.589 1.00 0.42 H new ATOM 0 HG21 ILE A 12 10.946 -2.467 3.793 1.00 0.36 H new ATOM 0 HG22 ILE A 12 11.920 -2.821 2.346 1.00 0.36 H new ATOM 0 HG23 ILE A 12 10.319 -2.062 2.177 1.00 0.36 H new ATOM 0 HD11 ILE A 12 7.507 -5.234 4.456 1.00 0.53 H new ATOM 0 HD12 ILE A 12 8.437 -6.129 3.230 1.00 0.53 H new ATOM 0 HD13 ILE A 12 9.223 -5.611 4.740 1.00 0.53 H new ATOM 182 N LYS A 13 12.210 -4.240 -0.041 1.00 0.30 N ATOM 183 CA LYS A 13 13.058 -3.596 -1.051 1.00 0.39 C ATOM 184 C LYS A 13 12.486 -3.735 -2.476 1.00 0.44 C ATOM 185 O LYS A 13 12.500 -2.779 -3.249 1.00 0.45 O ATOM 186 CB LYS A 13 14.503 -4.117 -0.887 1.00 0.47 C ATOM 187 CG LYS A 13 15.093 -4.813 -2.121 1.00 1.39 C ATOM 188 CD LYS A 13 16.343 -5.628 -1.778 1.00 2.59 C ATOM 189 CE LYS A 13 17.214 -5.784 -3.031 1.00 3.38 C ATOM 190 NZ LYS A 13 17.670 -7.179 -3.230 1.00 5.17 N ATOM 0 H LYS A 13 12.696 -4.965 0.487 1.00 0.30 H new ATOM 0 HA LYS A 13 13.075 -2.518 -0.889 1.00 0.39 H new ATOM 0 HB2 LYS A 13 15.146 -3.278 -0.621 1.00 0.47 H new ATOM 0 HB3 LYS A 13 14.527 -4.815 -0.050 1.00 0.47 H new ATOM 0 HG2 LYS A 13 14.342 -5.469 -2.561 1.00 1.39 H new ATOM 0 HG3 LYS A 13 15.343 -4.065 -2.874 1.00 1.39 H new ATOM 0 HD2 LYS A 13 16.908 -5.132 -0.989 1.00 2.59 H new ATOM 0 HD3 LYS A 13 16.057 -6.608 -1.397 1.00 2.59 H new ATOM 0 HE2 LYS A 13 16.649 -5.461 -3.906 1.00 3.38 H new ATOM 0 HE3 LYS A 13 18.081 -5.129 -2.951 1.00 3.38 H new ATOM 0 HZ1 LYS A 13 18.255 -7.234 -4.088 1.00 5.17 H new ATOM 0 HZ2 LYS A 13 18.232 -7.481 -2.409 1.00 5.17 H new ATOM 0 HZ3 LYS A 13 16.844 -7.803 -3.333 1.00 5.17 H new ATOM 204 N LYS A 14 11.960 -4.915 -2.830 1.00 0.50 N ATOM 205 CA LYS A 14 11.300 -5.158 -4.124 1.00 0.56 C ATOM 206 C LYS A 14 9.953 -4.455 -4.188 1.00 0.56 C ATOM 207 O LYS A 14 9.567 -3.967 -5.243 1.00 0.64 O ATOM 208 CB LYS A 14 11.138 -6.666 -4.354 1.00 0.66 C ATOM 209 CG LYS A 14 12.312 -7.260 -5.152 1.00 1.02 C ATOM 210 CD LYS A 14 12.904 -8.530 -4.518 1.00 1.26 C ATOM 211 CE LYS A 14 13.180 -9.609 -5.577 1.00 1.94 C ATOM 212 NZ LYS A 14 12.429 -10.854 -5.287 1.00 3.26 N ATOM 0 H LYS A 14 11.980 -5.735 -2.224 1.00 0.50 H new ATOM 0 HA LYS A 14 11.927 -4.748 -4.916 1.00 0.56 H new ATOM 0 HB2 LYS A 14 11.061 -7.173 -3.392 1.00 0.66 H new ATOM 0 HB3 LYS A 14 10.206 -6.853 -4.888 1.00 0.66 H new ATOM 0 HG2 LYS A 14 11.974 -7.491 -6.162 1.00 1.02 H new ATOM 0 HG3 LYS A 14 13.097 -6.509 -5.242 1.00 1.02 H new ATOM 0 HD2 LYS A 14 13.830 -8.282 -3.999 1.00 1.26 H new ATOM 0 HD3 LYS A 14 12.214 -8.920 -3.770 1.00 1.26 H new ATOM 0 HE2 LYS A 14 12.901 -9.235 -6.562 1.00 1.94 H new ATOM 0 HE3 LYS A 14 14.248 -9.825 -5.609 1.00 1.94 H new ATOM 0 HZ1 LYS A 14 12.636 -11.563 -6.019 1.00 3.26 H new ATOM 0 HZ2 LYS A 14 12.714 -11.223 -4.357 1.00 3.26 H new ATOM 0 HZ3 LYS A 14 11.409 -10.651 -5.281 1.00 3.26 H new ATOM 226 N ALA A 15 9.289 -4.346 -3.044 1.00 0.51 N ATOM 227 CA ALA A 15 8.095 -3.552 -2.853 1.00 0.61 C ATOM 228 C ALA A 15 8.324 -2.065 -3.167 1.00 0.55 C ATOM 229 O ALA A 15 7.696 -1.553 -4.095 1.00 0.61 O ATOM 230 CB ALA A 15 7.606 -3.791 -1.430 1.00 0.61 C ATOM 0 H ALA A 15 9.584 -4.829 -2.195 1.00 0.51 H new ATOM 0 HA ALA A 15 7.324 -3.861 -3.558 1.00 0.61 H new ATOM 0 HB1 ALA A 15 6.704 -3.205 -1.252 1.00 0.61 H new ATOM 0 HB2 ALA A 15 7.384 -4.850 -1.295 1.00 0.61 H new ATOM 0 HB3 ALA A 15 8.380 -3.489 -0.724 1.00 0.61 H new ATOM 236 N VAL A 16 9.233 -1.373 -2.456 1.00 0.47 N ATOM 237 CA VAL A 16 9.568 0.026 -2.788 1.00 0.45 C ATOM 238 C VAL A 16 9.965 0.180 -4.259 1.00 0.35 C ATOM 239 O VAL A 16 9.571 1.161 -4.879 1.00 0.49 O ATOM 240 CB VAL A 16 10.566 0.729 -1.853 1.00 0.53 C ATOM 241 CG1 VAL A 16 9.922 1.163 -0.527 1.00 1.82 C ATOM 242 CG2 VAL A 16 11.771 -0.124 -1.557 1.00 2.41 C ATOM 0 H VAL A 16 9.743 -1.752 -1.658 1.00 0.47 H new ATOM 0 HA VAL A 16 8.634 0.560 -2.613 1.00 0.45 H new ATOM 0 HB VAL A 16 10.887 1.619 -2.395 1.00 0.53 H new ATOM 0 HG11 VAL A 16 10.669 1.654 0.097 1.00 1.82 H new ATOM 0 HG12 VAL A 16 9.105 1.856 -0.729 1.00 1.82 H new ATOM 0 HG13 VAL A 16 9.534 0.287 -0.007 1.00 1.82 H new ATOM 0 HG21 VAL A 16 12.445 0.417 -0.893 1.00 2.41 H new ATOM 0 HG22 VAL A 16 11.453 -1.049 -1.076 1.00 2.41 H new ATOM 0 HG23 VAL A 16 12.288 -0.358 -2.487 1.00 2.41 H new ATOM 252 N GLY A 17 10.634 -0.830 -4.836 1.00 0.23 N ATOM 253 CA GLY A 17 10.994 -0.900 -6.252 1.00 0.29 C ATOM 254 C GLY A 17 9.820 -1.099 -7.221 1.00 0.38 C ATOM 255 O GLY A 17 9.937 -0.712 -8.379 1.00 0.56 O ATOM 0 H GLY A 17 10.947 -1.645 -4.309 1.00 0.23 H new ATOM 0 HA2 GLY A 17 11.515 0.018 -6.523 1.00 0.29 H new ATOM 0 HA3 GLY A 17 11.700 -1.719 -6.390 1.00 0.29 H new ATOM 259 N ALA A 18 8.691 -1.671 -6.782 1.00 0.39 N ATOM 260 CA ALA A 18 7.522 -1.952 -7.616 1.00 0.45 C ATOM 261 C ALA A 18 6.776 -0.664 -7.991 1.00 0.36 C ATOM 262 O ALA A 18 6.556 -0.395 -9.166 1.00 0.60 O ATOM 263 CB ALA A 18 6.611 -2.941 -6.878 1.00 0.71 C ATOM 0 H ALA A 18 8.565 -1.957 -5.811 1.00 0.39 H new ATOM 0 HA ALA A 18 7.849 -2.401 -8.554 1.00 0.45 H new ATOM 0 HB1 ALA A 18 5.736 -3.157 -7.491 1.00 0.71 H new ATOM 0 HB2 ALA A 18 7.157 -3.865 -6.686 1.00 0.71 H new ATOM 0 HB3 ALA A 18 6.292 -2.505 -5.932 1.00 0.71 H new ATOM 269 N PHE A 19 6.430 0.155 -6.989 1.00 0.39 N ATOM 270 CA PHE A 19 5.864 1.496 -7.180 1.00 0.46 C ATOM 271 C PHE A 19 6.946 2.564 -7.500 1.00 0.52 C ATOM 272 O PHE A 19 6.612 3.744 -7.582 1.00 0.65 O ATOM 273 CB PHE A 19 5.107 1.907 -5.907 1.00 0.57 C ATOM 274 CG PHE A 19 3.943 1.041 -5.433 1.00 0.54 C ATOM 275 CD1 PHE A 19 2.965 0.594 -6.335 1.00 2.03 C ATOM 276 CD2 PHE A 19 3.756 0.788 -4.059 1.00 1.93 C ATOM 277 CE1 PHE A 19 1.840 -0.102 -5.854 1.00 1.96 C ATOM 278 CE2 PHE A 19 2.630 0.103 -3.581 1.00 2.03 C ATOM 279 CZ PHE A 19 1.664 -0.340 -4.484 1.00 0.62 C ATOM 0 H PHE A 19 6.537 -0.100 -6.007 1.00 0.39 H new ATOM 0 HA PHE A 19 5.192 1.449 -8.037 1.00 0.46 H new ATOM 0 HB2 PHE A 19 5.832 1.960 -5.094 1.00 0.57 H new ATOM 0 HB3 PHE A 19 4.726 2.917 -6.061 1.00 0.57 H new ATOM 0 HD1 PHE A 19 3.075 0.783 -7.393 1.00 2.03 H new ATOM 0 HD2 PHE A 19 4.500 1.131 -3.356 1.00 1.93 H new ATOM 0 HE1 PHE A 19 1.099 -0.459 -6.554 1.00 1.96 H new ATOM 0 HE2 PHE A 19 2.512 -0.080 -2.523 1.00 2.03 H new ATOM 0 HZ PHE A 19 0.787 -0.862 -4.130 1.00 0.62 H new ATOM 289 N SER A 20 8.235 2.201 -7.653 1.00 0.68 N ATOM 290 CA SER A 20 9.348 3.130 -7.952 1.00 0.84 C ATOM 291 C SER A 20 9.294 3.658 -9.394 1.00 0.78 C ATOM 292 O SER A 20 10.147 3.365 -10.235 1.00 1.00 O ATOM 293 CB SER A 20 10.706 2.471 -7.677 1.00 1.13 C ATOM 294 OG SER A 20 11.743 3.431 -7.720 1.00 2.03 O ATOM 0 H SER A 20 8.540 1.231 -7.571 1.00 0.68 H new ATOM 0 HA SER A 20 9.231 3.984 -7.285 1.00 0.84 H new ATOM 0 HB2 SER A 20 10.691 1.988 -6.700 1.00 1.13 H new ATOM 0 HB3 SER A 20 10.894 1.691 -8.415 1.00 1.13 H new ATOM 0 HG SER A 20 12.601 2.993 -7.541 1.00 2.03 H new ATOM 300 N ALA A 21 8.244 4.420 -9.690 1.00 0.65 N ATOM 301 CA ALA A 21 7.901 4.933 -11.006 1.00 0.70 C ATOM 302 C ALA A 21 6.847 6.046 -10.873 1.00 0.73 C ATOM 303 O ALA A 21 6.584 6.545 -9.780 1.00 1.30 O ATOM 304 CB ALA A 21 7.390 3.752 -11.843 1.00 0.75 C ATOM 0 H ALA A 21 7.575 4.710 -8.976 1.00 0.65 H new ATOM 0 HA ALA A 21 8.766 5.374 -11.500 1.00 0.70 H new ATOM 0 HB1 ALA A 21 7.122 4.102 -12.840 1.00 0.75 H new ATOM 0 HB2 ALA A 21 8.172 2.996 -11.921 1.00 0.75 H new ATOM 0 HB3 ALA A 21 6.513 3.319 -11.363 1.00 0.75 H new ATOM 310 N THR A 22 6.263 6.456 -12.002 1.00 0.73 N ATOM 311 CA THR A 22 5.219 7.476 -12.078 1.00 0.78 C ATOM 312 C THR A 22 4.067 6.954 -12.937 1.00 1.50 C ATOM 313 O THR A 22 4.236 6.724 -14.129 1.00 3.32 O ATOM 314 CB THR A 22 5.786 8.808 -12.604 1.00 0.70 C ATOM 315 OG1 THR A 22 6.473 8.646 -13.827 1.00 1.27 O ATOM 316 CG2 THR A 22 6.785 9.430 -11.627 1.00 1.17 C ATOM 0 H THR A 22 6.513 6.075 -12.915 1.00 0.73 H new ATOM 0 HA THR A 22 4.833 7.681 -11.079 1.00 0.78 H new ATOM 0 HB THR A 22 4.917 9.453 -12.733 1.00 0.70 H new ATOM 0 HG1 THR A 22 5.989 8.009 -14.392 1.00 1.27 H new ATOM 0 HG21 THR A 22 7.160 10.368 -12.038 1.00 1.17 H new ATOM 0 HG22 THR A 22 6.291 9.623 -10.675 1.00 1.17 H new ATOM 0 HG23 THR A 22 7.617 8.744 -11.471 1.00 1.17 H new ATOM 324 N ASP A 23 2.916 6.677 -12.307 1.00 0.54 N ATOM 325 CA ASP A 23 1.710 6.049 -12.885 1.00 0.70 C ATOM 326 C ASP A 23 1.866 4.531 -13.091 1.00 0.69 C ATOM 327 O ASP A 23 0.881 3.823 -13.289 1.00 0.88 O ATOM 328 CB ASP A 23 1.267 6.745 -14.188 1.00 0.94 C ATOM 329 CG ASP A 23 -0.226 6.611 -14.515 1.00 2.37 C ATOM 330 OD1 ASP A 23 -1.013 6.310 -13.589 1.00 3.70 O ATOM 331 OD2 ASP A 23 -0.584 6.944 -15.667 1.00 3.32 O ATOM 0 H ASP A 23 2.791 6.898 -11.319 1.00 0.54 H new ATOM 0 HA ASP A 23 0.919 6.186 -12.148 1.00 0.70 H new ATOM 0 HB2 ASP A 23 1.516 7.804 -14.120 1.00 0.94 H new ATOM 0 HB3 ASP A 23 1.844 6.335 -15.017 1.00 0.94 H new ATOM 336 N SER A 24 3.093 4.001 -12.981 1.00 0.71 N ATOM 337 CA SER A 24 3.372 2.569 -13.102 1.00 0.72 C ATOM 338 C SER A 24 3.062 1.860 -11.782 1.00 0.84 C ATOM 339 O SER A 24 3.929 1.303 -11.109 1.00 1.63 O ATOM 340 CB SER A 24 4.800 2.318 -13.600 1.00 0.83 C ATOM 341 OG SER A 24 4.834 1.173 -14.423 1.00 1.34 O ATOM 0 H SER A 24 3.925 4.563 -12.804 1.00 0.71 H new ATOM 0 HA SER A 24 2.715 2.141 -13.859 1.00 0.72 H new ATOM 0 HB2 SER A 24 5.157 3.185 -14.156 1.00 0.83 H new ATOM 0 HB3 SER A 24 5.471 2.185 -12.751 1.00 0.83 H new ATOM 0 HG SER A 24 5.750 1.023 -14.737 1.00 1.34 H new ATOM 347 N PHE A 25 1.796 1.954 -11.381 1.00 0.73 N ATOM 348 CA PHE A 25 1.305 1.383 -10.144 1.00 0.72 C ATOM 349 C PHE A 25 1.205 -0.142 -10.234 1.00 0.87 C ATOM 350 O PHE A 25 0.940 -0.688 -11.302 1.00 2.04 O ATOM 351 CB PHE A 25 -0.093 1.938 -9.867 1.00 0.94 C ATOM 352 CG PHE A 25 -0.498 1.749 -8.427 1.00 1.05 C ATOM 353 CD1 PHE A 25 0.264 2.339 -7.402 1.00 1.87 C ATOM 354 CD2 PHE A 25 -1.593 0.931 -8.108 1.00 1.91 C ATOM 355 CE1 PHE A 25 -0.061 2.112 -6.060 1.00 2.07 C ATOM 356 CE2 PHE A 25 -1.902 0.683 -6.766 1.00 1.94 C ATOM 357 CZ PHE A 25 -1.116 1.247 -5.741 1.00 1.42 C ATOM 0 H PHE A 25 1.077 2.438 -11.920 1.00 0.73 H new ATOM 0 HA PHE A 25 2.002 1.643 -9.347 1.00 0.72 H new ATOM 0 HB2 PHE A 25 -0.118 2.999 -10.115 1.00 0.94 H new ATOM 0 HB3 PHE A 25 -0.815 1.442 -10.515 1.00 0.94 H new ATOM 0 HD1 PHE A 25 1.104 2.970 -7.652 1.00 1.87 H new ATOM 0 HD2 PHE A 25 -2.193 0.496 -8.893 1.00 1.91 H new ATOM 0 HE1 PHE A 25 0.498 2.600 -5.275 1.00 2.07 H new ATOM 0 HE2 PHE A 25 -2.746 0.057 -6.515 1.00 1.94 H new ATOM 0 HZ PHE A 25 -1.327 1.012 -4.708 1.00 1.42 H new ATOM 367 N ASP A 26 1.344 -0.828 -9.095 1.00 0.65 N ATOM 368 CA ASP A 26 1.404 -2.288 -9.095 1.00 0.75 C ATOM 369 C ASP A 26 0.998 -2.943 -7.756 1.00 0.69 C ATOM 370 O ASP A 26 1.649 -3.876 -7.316 1.00 0.70 O ATOM 371 CB ASP A 26 2.811 -2.713 -9.611 1.00 1.14 C ATOM 372 CG ASP A 26 2.778 -3.680 -10.807 1.00 1.40 C ATOM 373 OD1 ASP A 26 1.674 -4.157 -11.169 1.00 2.17 O ATOM 374 OD2 ASP A 26 3.883 -4.033 -11.279 1.00 2.46 O ATOM 0 H ASP A 26 1.416 -0.399 -8.172 1.00 0.65 H new ATOM 0 HA ASP A 26 0.643 -2.672 -9.775 1.00 0.75 H new ATOM 0 HB2 ASP A 26 3.366 -1.819 -9.896 1.00 1.14 H new ATOM 0 HB3 ASP A 26 3.359 -3.182 -8.794 1.00 1.14 H new ATOM 379 N HIS A 27 -0.089 -2.510 -7.093 1.00 0.74 N ATOM 380 CA HIS A 27 -0.515 -3.013 -5.763 1.00 0.74 C ATOM 381 C HIS A 27 -0.428 -4.536 -5.603 1.00 0.70 C ATOM 382 O HIS A 27 0.177 -5.036 -4.657 1.00 0.69 O ATOM 383 CB HIS A 27 -1.939 -2.546 -5.417 1.00 0.78 C ATOM 384 CG HIS A 27 -2.987 -2.995 -6.415 1.00 1.42 C ATOM 385 ND1 HIS A 27 -3.917 -3.982 -6.195 1.00 2.51 N ATOM 386 CD2 HIS A 27 -3.089 -2.632 -7.733 1.00 2.63 C ATOM 387 CE1 HIS A 27 -4.567 -4.214 -7.348 1.00 3.28 C ATOM 388 NE2 HIS A 27 -4.067 -3.437 -8.322 1.00 3.41 N ATOM 0 H HIS A 27 -0.709 -1.791 -7.466 1.00 0.74 H new ATOM 0 HA HIS A 27 0.202 -2.581 -5.065 1.00 0.74 H new ATOM 0 HB2 HIS A 27 -2.205 -2.923 -4.430 1.00 0.78 H new ATOM 0 HB3 HIS A 27 -1.950 -1.458 -5.357 1.00 0.78 H new ATOM 0 HD1 HIS A 27 -4.085 -4.457 -5.308 1.00 2.51 H new ATOM 0 HD2 HIS A 27 -2.516 -1.862 -8.227 1.00 2.63 H new ATOM 0 HE1 HIS A 27 -5.373 -4.922 -7.473 1.00 3.28 H new ATOM 396 N LYS A 28 -1.018 -5.281 -6.542 1.00 0.74 N ATOM 397 CA LYS A 28 -1.008 -6.735 -6.569 1.00 0.89 C ATOM 398 C LYS A 28 0.415 -7.295 -6.564 1.00 0.76 C ATOM 399 O LYS A 28 0.766 -8.149 -5.752 1.00 0.79 O ATOM 400 CB LYS A 28 -1.899 -7.216 -7.726 1.00 1.16 C ATOM 401 CG LYS A 28 -1.273 -7.217 -9.129 1.00 1.46 C ATOM 402 CD LYS A 28 -0.973 -5.862 -9.798 1.00 2.15 C ATOM 403 CE LYS A 28 -1.937 -5.517 -10.941 1.00 2.21 C ATOM 404 NZ LYS A 28 -3.301 -5.149 -10.486 1.00 3.07 N ATOM 0 H LYS A 28 -1.529 -4.871 -7.324 1.00 0.74 H new ATOM 0 HA LYS A 28 -1.440 -7.137 -5.653 1.00 0.89 H new ATOM 0 HB2 LYS A 28 -2.230 -8.230 -7.501 1.00 1.16 H new ATOM 0 HB3 LYS A 28 -2.790 -6.589 -7.752 1.00 1.16 H new ATOM 0 HG2 LYS A 28 -0.338 -7.775 -9.075 1.00 1.46 H new ATOM 0 HG3 LYS A 28 -1.939 -7.773 -9.789 1.00 1.46 H new ATOM 0 HD2 LYS A 28 -1.019 -5.076 -9.045 1.00 2.15 H new ATOM 0 HD3 LYS A 28 0.046 -5.874 -10.184 1.00 2.15 H new ATOM 0 HE2 LYS A 28 -1.521 -4.690 -11.517 1.00 2.21 H new ATOM 0 HE3 LYS A 28 -2.007 -6.371 -11.614 1.00 2.21 H new ATOM 0 HZ1 LYS A 28 -3.754 -4.545 -11.201 1.00 3.07 H new ATOM 0 HZ2 LYS A 28 -3.867 -6.011 -10.353 1.00 3.07 H new ATOM 0 HZ3 LYS A 28 -3.239 -4.633 -9.585 1.00 3.07 H new ATOM 418 N LYS A 29 1.238 -6.732 -7.444 1.00 0.73 N ATOM 419 CA LYS A 29 2.624 -7.064 -7.737 1.00 0.60 C ATOM 420 C LYS A 29 3.513 -6.719 -6.562 1.00 0.42 C ATOM 421 O LYS A 29 4.287 -7.571 -6.155 1.00 0.37 O ATOM 422 CB LYS A 29 3.028 -6.282 -8.991 1.00 0.87 C ATOM 423 CG LYS A 29 3.409 -7.184 -10.164 1.00 1.09 C ATOM 424 CD LYS A 29 4.856 -7.683 -10.056 1.00 1.65 C ATOM 425 CE LYS A 29 5.595 -7.299 -11.340 1.00 1.79 C ATOM 426 NZ LYS A 29 6.991 -7.780 -11.324 1.00 3.11 N ATOM 0 H LYS A 29 0.917 -5.957 -8.025 1.00 0.73 H new ATOM 0 HA LYS A 29 2.736 -8.134 -7.913 1.00 0.60 H new ATOM 0 HB2 LYS A 29 2.203 -5.636 -9.290 1.00 0.87 H new ATOM 0 HB3 LYS A 29 3.870 -5.633 -8.751 1.00 0.87 H new ATOM 0 HG2 LYS A 29 2.732 -8.038 -10.200 1.00 1.09 H new ATOM 0 HG3 LYS A 29 3.282 -6.637 -11.098 1.00 1.09 H new ATOM 0 HD2 LYS A 29 5.346 -7.240 -9.189 1.00 1.65 H new ATOM 0 HD3 LYS A 29 4.875 -8.764 -9.916 1.00 1.65 H new ATOM 0 HE2 LYS A 29 5.074 -7.719 -12.201 1.00 1.79 H new ATOM 0 HE3 LYS A 29 5.583 -6.215 -11.458 1.00 1.79 H new ATOM 0 HZ1 LYS A 29 7.374 -7.766 -12.291 1.00 3.11 H new ATOM 0 HZ2 LYS A 29 7.564 -7.161 -10.716 1.00 3.11 H new ATOM 0 HZ3 LYS A 29 7.019 -8.752 -10.954 1.00 3.11 H new ATOM 440 N PHE A 30 3.334 -5.528 -5.983 1.00 0.42 N ATOM 441 CA PHE A 30 3.883 -5.088 -4.712 1.00 0.40 C ATOM 442 C PHE A 30 3.649 -6.166 -3.661 1.00 0.34 C ATOM 443 O PHE A 30 4.625 -6.738 -3.193 1.00 0.33 O ATOM 444 CB PHE A 30 3.274 -3.733 -4.311 1.00 0.48 C ATOM 445 CG PHE A 30 3.899 -3.125 -3.076 1.00 0.50 C ATOM 446 CD1 PHE A 30 3.595 -3.614 -1.790 1.00 1.86 C ATOM 447 CD2 PHE A 30 4.806 -2.063 -3.219 1.00 2.04 C ATOM 448 CE1 PHE A 30 4.252 -3.088 -0.669 1.00 1.81 C ATOM 449 CE2 PHE A 30 5.407 -1.490 -2.090 1.00 2.20 C ATOM 450 CZ PHE A 30 5.159 -2.030 -0.825 1.00 0.86 C ATOM 0 H PHE A 30 2.765 -4.805 -6.423 1.00 0.42 H new ATOM 0 HA PHE A 30 4.959 -4.937 -4.800 1.00 0.40 H new ATOM 0 HB2 PHE A 30 3.382 -3.036 -5.142 1.00 0.48 H new ATOM 0 HB3 PHE A 30 2.205 -3.862 -4.140 1.00 0.48 H new ATOM 0 HD1 PHE A 30 2.857 -4.393 -1.668 1.00 1.86 H new ATOM 0 HD2 PHE A 30 5.042 -1.686 -4.203 1.00 2.04 H new ATOM 0 HE1 PHE A 30 4.060 -3.496 0.312 1.00 1.81 H new ATOM 0 HE2 PHE A 30 6.059 -0.635 -2.197 1.00 2.20 H new ATOM 0 HZ PHE A 30 5.669 -1.630 0.038 1.00 0.86 H new ATOM 460 N PHE A 31 2.383 -6.481 -3.337 1.00 0.39 N ATOM 461 CA PHE A 31 2.006 -7.473 -2.322 1.00 0.37 C ATOM 462 C PHE A 31 2.563 -8.877 -2.591 1.00 0.30 C ATOM 463 O PHE A 31 2.947 -9.573 -1.651 1.00 0.40 O ATOM 464 CB PHE A 31 0.488 -7.549 -2.179 1.00 0.45 C ATOM 465 CG PHE A 31 -0.108 -6.597 -1.155 1.00 0.56 C ATOM 466 CD1 PHE A 31 -0.022 -5.207 -1.340 1.00 1.80 C ATOM 467 CD2 PHE A 31 -0.811 -7.105 -0.047 1.00 1.68 C ATOM 468 CE1 PHE A 31 -0.614 -4.333 -0.415 1.00 1.90 C ATOM 469 CE2 PHE A 31 -1.396 -6.236 0.887 1.00 1.72 C ATOM 470 CZ PHE A 31 -1.290 -4.849 0.706 1.00 0.90 C ATOM 0 H PHE A 31 1.578 -6.042 -3.784 1.00 0.39 H new ATOM 0 HA PHE A 31 2.457 -7.125 -1.392 1.00 0.37 H new ATOM 0 HB2 PHE A 31 0.036 -7.345 -3.150 1.00 0.45 H new ATOM 0 HB3 PHE A 31 0.214 -8.569 -1.908 1.00 0.45 H new ATOM 0 HD1 PHE A 31 0.501 -4.810 -2.197 1.00 1.80 H new ATOM 0 HD2 PHE A 31 -0.901 -8.173 0.086 1.00 1.68 H new ATOM 0 HE1 PHE A 31 -0.551 -3.265 -0.564 1.00 1.90 H new ATOM 0 HE2 PHE A 31 -1.925 -6.633 1.741 1.00 1.72 H new ATOM 0 HZ PHE A 31 -1.728 -4.176 1.428 1.00 0.90 H new ATOM 480 N GLN A 32 2.601 -9.297 -3.856 1.00 0.34 N ATOM 481 CA GLN A 32 3.198 -10.560 -4.293 1.00 0.39 C ATOM 482 C GLN A 32 4.736 -10.552 -4.151 1.00 0.39 C ATOM 483 O GLN A 32 5.300 -11.524 -3.657 1.00 0.57 O ATOM 484 CB GLN A 32 2.724 -10.831 -5.732 1.00 0.59 C ATOM 485 CG GLN A 32 1.235 -11.246 -5.773 1.00 0.71 C ATOM 486 CD GLN A 32 0.565 -10.962 -7.120 1.00 1.15 C ATOM 487 OE1 GLN A 32 1.165 -11.070 -8.179 1.00 1.91 O ATOM 488 NE2 GLN A 32 -0.707 -10.600 -7.155 1.00 1.46 N ATOM 0 H GLN A 32 2.207 -8.755 -4.625 1.00 0.34 H new ATOM 0 HA GLN A 32 2.868 -11.376 -3.651 1.00 0.39 H new ATOM 0 HB2 GLN A 32 2.870 -9.937 -6.338 1.00 0.59 H new ATOM 0 HB3 GLN A 32 3.334 -11.619 -6.174 1.00 0.59 H new ATOM 0 HG2 GLN A 32 1.155 -12.310 -5.553 1.00 0.71 H new ATOM 0 HG3 GLN A 32 0.695 -10.717 -4.988 1.00 0.71 H new ATOM 0 HE21 GLN A 32 -1.233 -10.502 -6.287 1.00 1.46 H new ATOM 0 HE22 GLN A 32 -1.161 -10.419 -8.050 1.00 1.46 H new ATOM 497 N MET A 33 5.407 -9.451 -4.516 1.00 0.38 N ATOM 498 CA MET A 33 6.863 -9.229 -4.401 1.00 0.41 C ATOM 499 C MET A 33 7.340 -9.152 -2.953 1.00 0.42 C ATOM 500 O MET A 33 8.259 -9.870 -2.568 1.00 0.63 O ATOM 501 CB MET A 33 7.295 -7.928 -5.112 1.00 0.44 C ATOM 502 CG MET A 33 7.881 -8.219 -6.491 1.00 0.57 C ATOM 503 SD MET A 33 8.321 -6.738 -7.435 1.00 1.75 S ATOM 504 CE MET A 33 9.359 -7.504 -8.702 1.00 1.44 C ATOM 0 H MET A 33 4.928 -8.647 -4.921 1.00 0.38 H new ATOM 0 HA MET A 33 7.321 -10.095 -4.879 1.00 0.41 H new ATOM 0 HB2 MET A 33 6.437 -7.263 -5.212 1.00 0.44 H new ATOM 0 HB3 MET A 33 8.033 -7.406 -4.503 1.00 0.44 H new ATOM 0 HG2 MET A 33 8.770 -8.839 -6.373 1.00 0.57 H new ATOM 0 HG3 MET A 33 7.160 -8.802 -7.065 1.00 0.57 H new ATOM 0 HE1 MET A 33 9.726 -6.737 -9.384 1.00 1.44 H new ATOM 0 HE2 MET A 33 10.204 -8.002 -8.227 1.00 1.44 H new ATOM 0 HE3 MET A 33 8.773 -8.235 -9.259 1.00 1.44 H new ATOM 514 N VAL A 34 6.732 -8.253 -2.175 1.00 0.31 N ATOM 515 CA VAL A 34 6.959 -8.079 -0.738 1.00 0.34 C ATOM 516 C VAL A 34 6.529 -9.329 0.047 1.00 0.36 C ATOM 517 O VAL A 34 6.999 -9.552 1.149 1.00 0.66 O ATOM 518 CB VAL A 34 6.228 -6.822 -0.265 1.00 0.39 C ATOM 519 CG1 VAL A 34 4.738 -7.038 -0.186 1.00 0.45 C ATOM 520 CG2 VAL A 34 6.684 -6.288 1.093 1.00 0.43 C ATOM 0 H VAL A 34 6.040 -7.600 -2.544 1.00 0.31 H new ATOM 0 HA VAL A 34 8.025 -7.951 -0.550 1.00 0.34 H new ATOM 0 HB VAL A 34 6.483 -6.082 -1.024 1.00 0.39 H new ATOM 0 HG11 VAL A 34 4.255 -6.122 0.154 1.00 0.45 H new ATOM 0 HG12 VAL A 34 4.356 -7.305 -1.171 1.00 0.45 H new ATOM 0 HG13 VAL A 34 4.524 -7.843 0.517 1.00 0.45 H new ATOM 0 HG21 VAL A 34 6.110 -5.396 1.345 1.00 0.43 H new ATOM 0 HG22 VAL A 34 6.524 -7.050 1.856 1.00 0.43 H new ATOM 0 HG23 VAL A 34 7.744 -6.037 1.048 1.00 0.43 H new ATOM 530 N GLY A 35 5.626 -10.156 -0.494 1.00 0.33 N ATOM 531 CA GLY A 35 5.121 -11.344 0.189 1.00 0.34 C ATOM 532 C GLY A 35 4.059 -11.051 1.254 1.00 0.31 C ATOM 533 O GLY A 35 3.760 -11.922 2.059 1.00 0.35 O ATOM 0 H GLY A 35 5.226 -10.016 -1.422 1.00 0.33 H new ATOM 0 HA2 GLY A 35 4.699 -12.024 -0.552 1.00 0.34 H new ATOM 0 HA3 GLY A 35 5.957 -11.863 0.658 1.00 0.34 H new ATOM 537 N LEU A 36 3.450 -9.866 1.262 1.00 0.39 N ATOM 538 CA LEU A 36 2.387 -9.432 2.180 1.00 0.43 C ATOM 539 C LEU A 36 1.272 -10.466 2.302 1.00 0.44 C ATOM 540 O LEU A 36 0.902 -10.888 3.390 1.00 0.50 O ATOM 541 CB LEU A 36 1.808 -8.101 1.669 1.00 0.44 C ATOM 542 CG LEU A 36 2.488 -6.877 2.280 1.00 0.67 C ATOM 543 CD1 LEU A 36 2.173 -5.584 1.531 1.00 0.63 C ATOM 544 CD2 LEU A 36 2.006 -6.725 3.694 1.00 1.10 C ATOM 0 H LEU A 36 3.696 -9.138 0.591 1.00 0.39 H new ATOM 0 HA LEU A 36 2.822 -9.310 3.172 1.00 0.43 H new ATOM 0 HB2 LEU A 36 1.908 -8.061 0.584 1.00 0.44 H new ATOM 0 HB3 LEU A 36 0.742 -8.066 1.892 1.00 0.44 H new ATOM 0 HG LEU A 36 3.564 -7.039 2.223 1.00 0.67 H new ATOM 0 HD11 LEU A 36 2.685 -4.751 2.013 1.00 0.63 H new ATOM 0 HD12 LEU A 36 2.512 -5.670 0.499 1.00 0.63 H new ATOM 0 HD13 LEU A 36 1.098 -5.407 1.547 1.00 0.63 H new ATOM 0 HD21 LEU A 36 2.480 -5.855 4.149 1.00 1.10 H new ATOM 0 HD22 LEU A 36 0.924 -6.591 3.697 1.00 1.10 H new ATOM 0 HD23 LEU A 36 2.263 -7.618 4.264 1.00 1.10 H new ATOM 556 N LYS A 37 0.790 -10.898 1.142 1.00 0.43 N ATOM 557 CA LYS A 37 -0.126 -12.026 0.951 1.00 0.46 C ATOM 558 C LYS A 37 0.390 -13.389 1.431 1.00 0.41 C ATOM 559 O LYS A 37 -0.421 -14.243 1.773 1.00 0.52 O ATOM 560 CB LYS A 37 -0.421 -12.133 -0.544 1.00 0.60 C ATOM 561 CG LYS A 37 -1.697 -11.382 -0.919 1.00 0.71 C ATOM 562 CD LYS A 37 -1.874 -11.321 -2.441 1.00 1.07 C ATOM 563 CE LYS A 37 -1.599 -12.635 -3.184 1.00 0.84 C ATOM 564 NZ LYS A 37 -2.430 -13.750 -2.661 1.00 2.47 N ATOM 0 H LYS A 37 1.039 -10.450 0.260 1.00 0.43 H new ATOM 0 HA LYS A 37 -1.003 -11.811 1.562 1.00 0.46 H new ATOM 0 HB2 LYS A 37 0.419 -11.731 -1.111 1.00 0.60 H new ATOM 0 HB3 LYS A 37 -0.520 -13.182 -0.822 1.00 0.60 H new ATOM 0 HG2 LYS A 37 -2.559 -11.875 -0.469 1.00 0.71 H new ATOM 0 HG3 LYS A 37 -1.660 -10.371 -0.513 1.00 0.71 H new ATOM 0 HD2 LYS A 37 -2.894 -11.005 -2.660 1.00 1.07 H new ATOM 0 HD3 LYS A 37 -1.210 -10.552 -2.837 1.00 1.07 H new ATOM 0 HE2 LYS A 37 -1.799 -12.500 -4.247 1.00 0.84 H new ATOM 0 HE3 LYS A 37 -0.544 -12.892 -3.089 1.00 0.84 H new ATOM 0 HZ1 LYS A 37 -1.812 -14.498 -2.287 1.00 2.47 H new ATOM 0 HZ2 LYS A 37 -3.046 -13.397 -1.901 1.00 2.47 H new ATOM 0 HZ3 LYS A 37 -3.015 -14.137 -3.429 1.00 2.47 H new ATOM 578 N LYS A 38 1.708 -13.629 1.382 1.00 0.34 N ATOM 579 CA LYS A 38 2.370 -14.846 1.888 1.00 0.38 C ATOM 580 C LYS A 38 2.435 -14.834 3.422 1.00 0.33 C ATOM 581 O LYS A 38 2.473 -15.891 4.046 1.00 0.42 O ATOM 582 CB LYS A 38 3.766 -15.024 1.222 1.00 0.48 C ATOM 583 CG LYS A 38 4.990 -14.872 2.156 1.00 1.25 C ATOM 584 CD LYS A 38 6.342 -14.831 1.424 1.00 1.31 C ATOM 585 CE LYS A 38 7.420 -14.316 2.394 1.00 1.92 C ATOM 586 NZ LYS A 38 8.722 -14.053 1.734 1.00 2.75 N ATOM 0 H LYS A 38 2.366 -12.963 0.977 1.00 0.34 H new ATOM 0 HA LYS A 38 1.776 -15.717 1.611 1.00 0.38 H new ATOM 0 HB2 LYS A 38 3.804 -16.013 0.764 1.00 0.48 H new ATOM 0 HB3 LYS A 38 3.857 -14.296 0.416 1.00 0.48 H new ATOM 0 HG2 LYS A 38 4.877 -13.957 2.738 1.00 1.25 H new ATOM 0 HG3 LYS A 38 4.998 -15.701 2.864 1.00 1.25 H new ATOM 0 HD2 LYS A 38 6.605 -15.825 1.062 1.00 1.31 H new ATOM 0 HD3 LYS A 38 6.278 -14.181 0.552 1.00 1.31 H new ATOM 0 HE2 LYS A 38 7.067 -13.399 2.865 1.00 1.92 H new ATOM 0 HE3 LYS A 38 7.564 -15.048 3.189 1.00 1.92 H new ATOM 0 HZ1 LYS A 38 9.493 -14.192 2.419 1.00 2.75 H new ATOM 0 HZ2 LYS A 38 8.845 -14.709 0.936 1.00 2.75 H new ATOM 0 HZ3 LYS A 38 8.742 -13.074 1.384 1.00 2.75 H new ATOM 600 N LYS A 39 2.499 -13.641 4.026 1.00 0.39 N ATOM 601 CA LYS A 39 2.416 -13.438 5.472 1.00 0.40 C ATOM 602 C LYS A 39 0.978 -13.597 5.980 1.00 0.39 C ATOM 603 O LYS A 39 0.019 -13.629 5.213 1.00 0.36 O ATOM 604 CB LYS A 39 2.991 -12.062 5.838 1.00 0.45 C ATOM 605 CG LYS A 39 4.472 -11.857 5.488 1.00 1.07 C ATOM 606 CD LYS A 39 5.464 -12.741 6.241 1.00 0.80 C ATOM 607 CE LYS A 39 5.634 -14.123 5.602 1.00 1.95 C ATOM 608 NZ LYS A 39 5.700 -15.194 6.621 1.00 2.74 N ATOM 0 H LYS A 39 2.613 -12.770 3.507 1.00 0.39 H new ATOM 0 HA LYS A 39 3.012 -14.206 5.965 1.00 0.40 H new ATOM 0 HB2 LYS A 39 2.405 -11.295 5.331 1.00 0.45 H new ATOM 0 HB3 LYS A 39 2.863 -11.906 6.909 1.00 0.45 H new ATOM 0 HG2 LYS A 39 4.600 -12.029 4.419 1.00 1.07 H new ATOM 0 HG3 LYS A 39 4.729 -10.814 5.676 1.00 1.07 H new ATOM 0 HD2 LYS A 39 6.432 -12.242 6.278 1.00 0.80 H new ATOM 0 HD3 LYS A 39 5.127 -12.861 7.271 1.00 0.80 H new ATOM 0 HE2 LYS A 39 4.802 -14.316 4.925 1.00 1.95 H new ATOM 0 HE3 LYS A 39 6.543 -14.136 5.001 1.00 1.95 H new ATOM 0 HZ1 LYS A 39 5.815 -16.114 6.150 1.00 2.74 H new ATOM 0 HZ2 LYS A 39 6.509 -15.024 7.252 1.00 2.74 H new ATOM 0 HZ3 LYS A 39 4.822 -15.198 7.178 1.00 2.74 H new ATOM 622 N SER A 40 0.852 -13.732 7.301 1.00 0.49 N ATOM 623 CA SER A 40 -0.428 -13.953 7.976 1.00 0.49 C ATOM 624 C SER A 40 -1.371 -12.753 7.844 1.00 0.51 C ATOM 625 O SER A 40 -0.939 -11.605 7.777 1.00 0.55 O ATOM 626 CB SER A 40 -0.179 -14.262 9.459 1.00 0.53 C ATOM 627 OG SER A 40 -0.244 -15.657 9.658 1.00 1.57 O ATOM 0 H SER A 40 1.646 -13.690 7.940 1.00 0.49 H new ATOM 0 HA SER A 40 -0.914 -14.800 7.492 1.00 0.49 H new ATOM 0 HB2 SER A 40 0.797 -13.884 9.763 1.00 0.53 H new ATOM 0 HB3 SER A 40 -0.922 -13.759 10.078 1.00 0.53 H new ATOM 0 HG SER A 40 -0.084 -15.860 10.603 1.00 1.57 H new ATOM 633 N ALA A 41 -2.682 -12.993 7.907 1.00 0.54 N ATOM 634 CA ALA A 41 -3.678 -11.916 7.890 1.00 0.62 C ATOM 635 C ALA A 41 -3.493 -10.915 9.044 1.00 0.54 C ATOM 636 O ALA A 41 -3.727 -9.714 8.888 1.00 0.48 O ATOM 637 CB ALA A 41 -5.061 -12.549 7.980 1.00 0.75 C ATOM 0 H ALA A 41 -3.082 -13.929 7.971 1.00 0.54 H new ATOM 0 HA ALA A 41 -3.556 -11.353 6.965 1.00 0.62 H new ATOM 0 HB1 ALA A 41 -5.820 -11.767 7.969 1.00 0.75 H new ATOM 0 HB2 ALA A 41 -5.213 -13.214 7.130 1.00 0.75 H new ATOM 0 HB3 ALA A 41 -5.141 -13.119 8.906 1.00 0.75 H new ATOM 643 N ASP A 42 -3.036 -11.408 10.202 1.00 0.57 N ATOM 644 CA ASP A 42 -2.747 -10.603 11.383 1.00 0.54 C ATOM 645 C ASP A 42 -1.658 -9.563 11.123 1.00 0.42 C ATOM 646 O ASP A 42 -1.701 -8.488 11.718 1.00 0.51 O ATOM 647 CB ASP A 42 -2.282 -11.509 12.528 1.00 0.77 C ATOM 648 CG ASP A 42 -3.211 -12.707 12.685 1.00 2.15 C ATOM 649 OD1 ASP A 42 -2.993 -13.671 11.914 1.00 3.81 O ATOM 650 OD2 ASP A 42 -4.155 -12.589 13.495 1.00 2.51 O ATOM 0 H ASP A 42 -2.854 -12.402 10.341 1.00 0.57 H new ATOM 0 HA ASP A 42 -3.668 -10.082 11.645 1.00 0.54 H new ATOM 0 HB2 ASP A 42 -1.266 -11.854 12.334 1.00 0.77 H new ATOM 0 HB3 ASP A 42 -2.254 -10.941 13.458 1.00 0.77 H new ATOM 655 N ASP A 43 -0.714 -9.901 10.234 1.00 0.41 N ATOM 656 CA ASP A 43 0.365 -9.056 9.734 1.00 0.39 C ATOM 657 C ASP A 43 -0.236 -7.925 8.909 1.00 0.37 C ATOM 658 O ASP A 43 -0.102 -6.762 9.276 1.00 0.42 O ATOM 659 CB ASP A 43 1.324 -9.913 8.890 1.00 0.44 C ATOM 660 CG ASP A 43 2.670 -9.268 8.619 1.00 1.08 C ATOM 661 OD1 ASP A 43 2.747 -8.020 8.593 1.00 2.37 O ATOM 662 OD2 ASP A 43 3.614 -10.060 8.424 1.00 1.82 O ATOM 0 H ASP A 43 -0.687 -10.834 9.822 1.00 0.41 H new ATOM 0 HA ASP A 43 0.929 -8.621 10.559 1.00 0.39 H new ATOM 0 HB2 ASP A 43 1.486 -10.863 9.399 1.00 0.44 H new ATOM 0 HB3 ASP A 43 0.846 -10.140 7.937 1.00 0.44 H new ATOM 667 N VAL A 44 -0.998 -8.270 7.860 1.00 0.39 N ATOM 668 CA VAL A 44 -1.724 -7.343 6.995 1.00 0.40 C ATOM 669 C VAL A 44 -2.506 -6.299 7.804 1.00 0.35 C ATOM 670 O VAL A 44 -2.461 -5.110 7.481 1.00 0.43 O ATOM 671 CB VAL A 44 -2.573 -8.157 6.006 1.00 0.48 C ATOM 672 CG1 VAL A 44 -3.834 -7.420 5.600 1.00 0.84 C ATOM 673 CG2 VAL A 44 -1.785 -8.492 4.732 1.00 0.71 C ATOM 0 H VAL A 44 -1.127 -9.244 7.585 1.00 0.39 H new ATOM 0 HA VAL A 44 -1.026 -6.746 6.408 1.00 0.40 H new ATOM 0 HB VAL A 44 -2.842 -9.075 6.529 1.00 0.48 H new ATOM 0 HG11 VAL A 44 -4.404 -8.032 4.901 1.00 0.84 H new ATOM 0 HG12 VAL A 44 -4.439 -7.220 6.484 1.00 0.84 H new ATOM 0 HG13 VAL A 44 -3.567 -6.477 5.123 1.00 0.84 H new ATOM 0 HG21 VAL A 44 -2.416 -9.068 4.055 1.00 0.71 H new ATOM 0 HG22 VAL A 44 -1.475 -7.569 4.242 1.00 0.71 H new ATOM 0 HG23 VAL A 44 -0.903 -9.077 4.993 1.00 0.71 H new ATOM 683 N LYS A 45 -3.150 -6.716 8.904 1.00 0.33 N ATOM 684 CA LYS A 45 -3.806 -5.823 9.860 1.00 0.43 C ATOM 685 C LYS A 45 -2.906 -4.681 10.367 1.00 0.53 C ATOM 686 O LYS A 45 -3.368 -3.549 10.494 1.00 0.83 O ATOM 687 CB LYS A 45 -4.420 -6.657 10.996 1.00 0.53 C ATOM 688 CG LYS A 45 -5.890 -6.254 11.142 1.00 1.26 C ATOM 689 CD LYS A 45 -6.609 -7.011 12.267 1.00 1.67 C ATOM 690 CE LYS A 45 -7.122 -8.373 11.776 1.00 2.45 C ATOM 691 NZ LYS A 45 -7.733 -9.161 12.875 1.00 3.47 N ATOM 0 H LYS A 45 -3.229 -7.701 9.155 1.00 0.33 H new ATOM 0 HA LYS A 45 -4.607 -5.303 9.335 1.00 0.43 H new ATOM 0 HB2 LYS A 45 -4.337 -7.721 10.774 1.00 0.53 H new ATOM 0 HB3 LYS A 45 -3.883 -6.483 11.929 1.00 0.53 H new ATOM 0 HG2 LYS A 45 -5.950 -5.183 11.336 1.00 1.26 H new ATOM 0 HG3 LYS A 45 -6.407 -6.437 10.200 1.00 1.26 H new ATOM 0 HD2 LYS A 45 -5.928 -7.156 13.105 1.00 1.67 H new ATOM 0 HD3 LYS A 45 -7.444 -6.415 12.635 1.00 1.67 H new ATOM 0 HE2 LYS A 45 -7.857 -8.221 10.986 1.00 2.45 H new ATOM 0 HE3 LYS A 45 -6.297 -8.936 11.340 1.00 2.45 H new ATOM 0 HZ1 LYS A 45 -8.067 -10.073 12.504 1.00 3.47 H new ATOM 0 HZ2 LYS A 45 -7.025 -9.328 13.618 1.00 3.47 H new ATOM 0 HZ3 LYS A 45 -8.536 -8.635 13.274 1.00 3.47 H new ATOM 705 N LYS A 46 -1.623 -4.963 10.625 1.00 0.41 N ATOM 706 CA LYS A 46 -0.593 -3.989 11.019 1.00 0.51 C ATOM 707 C LYS A 46 0.058 -3.316 9.811 1.00 0.50 C ATOM 708 O LYS A 46 0.423 -2.148 9.906 1.00 0.69 O ATOM 709 CB LYS A 46 0.511 -4.649 11.868 1.00 0.58 C ATOM 710 CG LYS A 46 0.127 -4.887 13.337 1.00 0.97 C ATOM 711 CD LYS A 46 -0.878 -6.027 13.466 1.00 1.59 C ATOM 712 CE LYS A 46 -1.158 -6.453 14.901 1.00 1.81 C ATOM 713 NZ LYS A 46 -2.144 -7.558 14.888 1.00 2.49 N ATOM 0 H LYS A 46 -1.258 -5.913 10.563 1.00 0.41 H new ATOM 0 HA LYS A 46 -1.108 -3.232 11.610 1.00 0.51 H new ATOM 0 HB2 LYS A 46 0.778 -5.604 11.416 1.00 0.58 H new ATOM 0 HB3 LYS A 46 1.401 -4.021 11.835 1.00 0.58 H new ATOM 0 HG2 LYS A 46 1.021 -5.119 13.916 1.00 0.97 H new ATOM 0 HG3 LYS A 46 -0.297 -3.975 13.757 1.00 0.97 H new ATOM 0 HD2 LYS A 46 -1.815 -5.725 12.999 1.00 1.59 H new ATOM 0 HD3 LYS A 46 -0.508 -6.888 12.909 1.00 1.59 H new ATOM 0 HE2 LYS A 46 -0.236 -6.776 15.385 1.00 1.81 H new ATOM 0 HE3 LYS A 46 -1.543 -5.611 15.476 1.00 1.81 H new ATOM 0 HZ1 LYS A 46 -1.871 -8.275 15.590 1.00 2.49 H new ATOM 0 HZ2 LYS A 46 -3.086 -7.185 15.122 1.00 2.49 H new ATOM 0 HZ3 LYS A 46 -2.168 -7.991 13.943 1.00 2.49 H new ATOM 727 N VAL A 47 0.174 -4.013 8.680 1.00 0.34 N ATOM 728 CA VAL A 47 0.677 -3.463 7.416 1.00 0.31 C ATOM 729 C VAL A 47 -0.070 -2.187 7.090 1.00 0.32 C ATOM 730 O VAL A 47 0.538 -1.123 7.028 1.00 0.32 O ATOM 731 CB VAL A 47 0.549 -4.481 6.273 1.00 0.37 C ATOM 732 CG1 VAL A 47 0.857 -3.879 4.895 1.00 0.42 C ATOM 733 CG2 VAL A 47 1.429 -5.700 6.583 1.00 0.45 C ATOM 0 H VAL A 47 -0.084 -4.998 8.613 1.00 0.34 H new ATOM 0 HA VAL A 47 1.738 -3.238 7.529 1.00 0.31 H new ATOM 0 HB VAL A 47 -0.492 -4.798 6.214 1.00 0.37 H new ATOM 0 HG11 VAL A 47 0.749 -4.648 4.130 1.00 0.42 H new ATOM 0 HG12 VAL A 47 0.163 -3.064 4.691 1.00 0.42 H new ATOM 0 HG13 VAL A 47 1.878 -3.497 4.885 1.00 0.42 H new ATOM 0 HG21 VAL A 47 1.342 -6.426 5.775 1.00 0.45 H new ATOM 0 HG22 VAL A 47 2.468 -5.384 6.677 1.00 0.45 H new ATOM 0 HG23 VAL A 47 1.102 -6.156 7.518 1.00 0.45 H new ATOM 743 N PHE A 48 -1.394 -2.272 6.940 1.00 0.35 N ATOM 744 CA PHE A 48 -2.226 -1.119 6.661 1.00 0.38 C ATOM 745 C PHE A 48 -2.097 0.015 7.691 1.00 0.35 C ATOM 746 O PHE A 48 -2.042 1.176 7.284 1.00 0.35 O ATOM 747 CB PHE A 48 -3.640 -1.634 6.573 1.00 0.51 C ATOM 748 CG PHE A 48 -4.635 -0.526 6.412 1.00 0.61 C ATOM 749 CD1 PHE A 48 -4.636 0.260 5.248 1.00 2.33 C ATOM 750 CD2 PHE A 48 -5.561 -0.299 7.439 1.00 1.67 C ATOM 751 CE1 PHE A 48 -5.596 1.271 5.112 1.00 2.42 C ATOM 752 CE2 PHE A 48 -6.571 0.638 7.251 1.00 1.68 C ATOM 753 CZ PHE A 48 -6.570 1.445 6.104 1.00 0.93 C ATOM 0 H PHE A 48 -1.912 -3.148 7.010 1.00 0.35 H new ATOM 0 HA PHE A 48 -1.902 -0.656 5.729 1.00 0.38 H new ATOM 0 HB2 PHE A 48 -3.723 -2.321 5.731 1.00 0.51 H new ATOM 0 HB3 PHE A 48 -3.875 -2.203 7.472 1.00 0.51 H new ATOM 0 HD1 PHE A 48 -3.908 0.088 4.470 1.00 2.33 H new ATOM 0 HD2 PHE A 48 -5.491 -0.846 8.367 1.00 1.67 H new ATOM 0 HE1 PHE A 48 -5.585 1.915 4.245 1.00 2.42 H new ATOM 0 HE2 PHE A 48 -7.355 0.744 7.987 1.00 1.68 H new ATOM 0 HZ PHE A 48 -7.326 2.207 5.984 1.00 0.93 H new ATOM 763 N HIS A 49 -1.955 -0.306 8.991 1.00 0.37 N ATOM 764 CA HIS A 49 -1.629 0.681 10.035 1.00 0.43 C ATOM 765 C HIS A 49 -0.403 1.516 9.653 1.00 0.51 C ATOM 766 O HIS A 49 -0.271 2.658 10.099 1.00 0.77 O ATOM 767 CB HIS A 49 -1.437 0.012 11.429 1.00 0.59 C ATOM 768 CG HIS A 49 -0.049 0.095 12.074 1.00 2.45 C ATOM 769 ND1 HIS A 49 0.738 1.223 12.187 1.00 3.82 N ATOM 770 CD2 HIS A 49 0.696 -0.944 12.564 1.00 4.14 C ATOM 771 CE1 HIS A 49 1.945 0.852 12.646 1.00 5.60 C ATOM 772 NE2 HIS A 49 1.962 -0.460 12.909 1.00 5.89 N ATOM 0 H HIS A 49 -2.063 -1.256 9.346 1.00 0.37 H new ATOM 0 HA HIS A 49 -2.483 1.355 10.112 1.00 0.43 H new ATOM 0 HB2 HIS A 49 -2.154 0.459 12.117 1.00 0.59 H new ATOM 0 HB3 HIS A 49 -1.701 -1.041 11.335 1.00 0.59 H new ATOM 0 HD1 HIS A 49 0.452 2.176 11.961 1.00 3.82 H new ATOM 0 HD2 HIS A 49 0.362 -1.966 12.667 1.00 4.14 H new ATOM 0 HE1 HIS A 49 2.783 1.519 12.783 1.00 5.60 H new ATOM 780 N MET A 50 0.553 0.909 8.946 1.00 0.33 N ATOM 781 CA MET A 50 1.804 1.537 8.576 1.00 0.43 C ATOM 782 C MET A 50 1.624 2.446 7.359 1.00 0.56 C ATOM 783 O MET A 50 2.205 3.525 7.340 1.00 0.63 O ATOM 784 CB MET A 50 2.865 0.455 8.336 1.00 0.45 C ATOM 785 CG MET A 50 4.255 1.007 8.633 1.00 0.61 C ATOM 786 SD MET A 50 4.674 1.322 10.364 1.00 1.10 S ATOM 787 CE MET A 50 6.337 1.975 10.074 1.00 1.63 C ATOM 0 H MET A 50 0.469 -0.051 8.613 1.00 0.33 H new ATOM 0 HA MET A 50 2.144 2.175 9.392 1.00 0.43 H new ATOM 0 HB2 MET A 50 2.665 -0.408 8.971 1.00 0.45 H new ATOM 0 HB3 MET A 50 2.816 0.109 7.303 1.00 0.45 H new ATOM 0 HG2 MET A 50 4.988 0.307 8.231 1.00 0.61 H new ATOM 0 HG3 MET A 50 4.371 1.941 8.083 1.00 0.61 H new ATOM 0 HE1 MET A 50 6.795 2.241 11.027 1.00 1.63 H new ATOM 0 HE2 MET A 50 6.944 1.217 9.579 1.00 1.63 H new ATOM 0 HE3 MET A 50 6.275 2.861 9.442 1.00 1.63 H new ATOM 797 N LEU A 51 0.833 2.046 6.358 1.00 0.67 N ATOM 798 CA LEU A 51 0.507 2.896 5.209 1.00 0.77 C ATOM 799 C LEU A 51 -0.323 4.125 5.631 1.00 0.84 C ATOM 800 O LEU A 51 -0.054 5.236 5.176 1.00 0.97 O ATOM 801 CB LEU A 51 -0.304 2.104 4.183 1.00 0.73 C ATOM 802 CG LEU A 51 0.403 1.029 3.355 1.00 0.99 C ATOM 803 CD1 LEU A 51 0.787 -0.192 4.176 1.00 1.87 C ATOM 804 CD2 LEU A 51 -0.602 0.536 2.313 1.00 2.11 C ATOM 0 H LEU A 51 0.401 1.123 6.322 1.00 0.67 H new ATOM 0 HA LEU A 51 1.450 3.231 4.778 1.00 0.77 H new ATOM 0 HB2 LEU A 51 -1.127 1.624 4.712 1.00 0.73 H new ATOM 0 HB3 LEU A 51 -0.745 2.819 3.488 1.00 0.73 H new ATOM 0 HG LEU A 51 1.308 1.470 2.938 1.00 0.99 H new ATOM 0 HD11 LEU A 51 1.285 -0.920 3.535 1.00 1.87 H new ATOM 0 HD12 LEU A 51 1.462 0.107 4.978 1.00 1.87 H new ATOM 0 HD13 LEU A 51 -0.110 -0.639 4.604 1.00 1.87 H new ATOM 0 HD21 LEU A 51 -0.139 -0.235 1.697 1.00 2.11 H new ATOM 0 HD22 LEU A 51 -1.475 0.122 2.817 1.00 2.11 H new ATOM 0 HD23 LEU A 51 -0.909 1.369 1.681 1.00 2.11 H new ATOM 816 N ASP A 52 -1.330 3.915 6.487 1.00 0.81 N ATOM 817 CA ASP A 52 -2.181 4.946 7.089 1.00 0.91 C ATOM 818 C ASP A 52 -1.347 5.884 7.985 1.00 1.01 C ATOM 819 O ASP A 52 -0.851 5.475 9.036 1.00 1.42 O ATOM 820 CB ASP A 52 -3.306 4.236 7.871 1.00 0.87 C ATOM 821 CG ASP A 52 -4.459 5.164 8.265 1.00 1.01 C ATOM 822 OD1 ASP A 52 -5.143 5.641 7.335 1.00 1.93 O ATOM 823 OD2 ASP A 52 -4.700 5.373 9.479 1.00 1.70 O ATOM 0 H ASP A 52 -1.585 2.976 6.793 1.00 0.81 H new ATOM 0 HA ASP A 52 -2.627 5.577 6.320 1.00 0.91 H new ATOM 0 HB2 ASP A 52 -3.699 3.419 7.265 1.00 0.87 H new ATOM 0 HB3 ASP A 52 -2.885 3.790 8.772 1.00 0.87 H new ATOM 828 N LYS A 53 -1.168 7.153 7.590 1.00 0.90 N ATOM 829 CA LYS A 53 -0.281 8.100 8.296 1.00 0.98 C ATOM 830 C LYS A 53 -1.057 9.080 9.184 1.00 1.16 C ATOM 831 O LYS A 53 -0.749 10.266 9.264 1.00 2.18 O ATOM 832 CB LYS A 53 0.743 8.735 7.325 1.00 1.01 C ATOM 833 CG LYS A 53 2.186 8.401 7.736 1.00 1.26 C ATOM 834 CD LYS A 53 2.577 6.938 7.459 1.00 2.09 C ATOM 835 CE LYS A 53 3.023 6.231 8.744 1.00 3.51 C ATOM 836 NZ LYS A 53 3.988 5.152 8.444 1.00 4.93 N ATOM 0 H LYS A 53 -1.631 7.555 6.775 1.00 0.90 H new ATOM 0 HA LYS A 53 0.324 7.544 9.012 1.00 0.98 H new ATOM 0 HB2 LYS A 53 0.559 8.375 6.313 1.00 1.01 H new ATOM 0 HB3 LYS A 53 0.609 9.817 7.308 1.00 1.01 H new ATOM 0 HG2 LYS A 53 2.870 9.060 7.201 1.00 1.26 H new ATOM 0 HG3 LYS A 53 2.310 8.608 8.799 1.00 1.26 H new ATOM 0 HD2 LYS A 53 1.729 6.408 7.025 1.00 2.09 H new ATOM 0 HD3 LYS A 53 3.382 6.907 6.725 1.00 2.09 H new ATOM 0 HE2 LYS A 53 3.478 6.953 9.422 1.00 3.51 H new ATOM 0 HE3 LYS A 53 2.155 5.816 9.256 1.00 3.51 H new ATOM 0 HZ1 LYS A 53 4.489 4.883 9.314 1.00 4.93 H new ATOM 0 HZ2 LYS A 53 3.480 4.326 8.068 1.00 4.93 H new ATOM 0 HZ3 LYS A 53 4.675 5.487 7.738 1.00 4.93 H new ATOM 850 N ASP A 54 -2.035 8.531 9.906 1.00 0.68 N ATOM 851 CA ASP A 54 -2.767 9.227 10.971 1.00 0.78 C ATOM 852 C ASP A 54 -3.173 8.305 12.136 1.00 0.93 C ATOM 853 O ASP A 54 -3.154 8.763 13.276 1.00 1.43 O ATOM 854 CB ASP A 54 -3.959 10.008 10.382 1.00 0.85 C ATOM 855 CG ASP A 54 -5.277 9.240 10.408 1.00 1.35 C ATOM 856 OD1 ASP A 54 -5.946 9.260 11.453 1.00 2.80 O ATOM 857 OD2 ASP A 54 -5.642 8.597 9.391 1.00 1.36 O ATOM 0 H ASP A 54 -2.348 7.571 9.766 1.00 0.68 H new ATOM 0 HA ASP A 54 -2.082 9.948 11.418 1.00 0.78 H new ATOM 0 HB2 ASP A 54 -4.081 10.938 10.937 1.00 0.85 H new ATOM 0 HB3 ASP A 54 -3.729 10.280 9.352 1.00 0.85 H new ATOM 862 N LYS A 55 -3.469 7.019 11.850 1.00 0.76 N ATOM 863 CA LYS A 55 -3.873 5.929 12.763 1.00 0.96 C ATOM 864 C LYS A 55 -5.405 5.868 12.895 1.00 1.03 C ATOM 865 O LYS A 55 -5.931 5.584 13.970 1.00 1.49 O ATOM 866 CB LYS A 55 -3.183 5.955 14.150 1.00 1.18 C ATOM 867 CG LYS A 55 -1.663 6.218 14.163 1.00 1.65 C ATOM 868 CD LYS A 55 -0.840 5.146 14.894 1.00 2.07 C ATOM 869 CE LYS A 55 -0.209 4.163 13.898 1.00 2.05 C ATOM 870 NZ LYS A 55 1.269 4.215 13.978 1.00 2.84 N ATOM 0 H LYS A 55 -3.427 6.688 10.886 1.00 0.76 H new ATOM 0 HA LYS A 55 -3.517 5.011 12.296 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -3.666 6.721 14.756 1.00 1.18 H new ATOM 0 HB3 LYS A 55 -3.367 4.999 14.640 1.00 1.18 H new ATOM 0 HG2 LYS A 55 -1.310 6.291 13.134 1.00 1.65 H new ATOM 0 HG3 LYS A 55 -1.478 7.184 14.633 1.00 1.65 H new ATOM 0 HD2 LYS A 55 -0.058 5.623 15.485 1.00 2.07 H new ATOM 0 HD3 LYS A 55 -1.479 4.604 15.590 1.00 2.07 H new ATOM 0 HE2 LYS A 55 -0.554 3.151 14.109 1.00 2.05 H new ATOM 0 HE3 LYS A 55 -0.532 4.405 12.886 1.00 2.05 H new ATOM 0 HZ1 LYS A 55 1.677 3.543 13.297 1.00 2.84 H new ATOM 0 HZ2 LYS A 55 1.595 5.177 13.754 1.00 2.84 H new ATOM 0 HZ3 LYS A 55 1.574 3.961 14.939 1.00 2.84 H new ATOM 884 N SER A 56 -6.119 6.109 11.793 1.00 0.79 N ATOM 885 CA SER A 56 -7.582 6.028 11.733 1.00 0.85 C ATOM 886 C SER A 56 -8.059 4.688 11.191 1.00 0.93 C ATOM 887 O SER A 56 -9.130 4.227 11.577 1.00 1.27 O ATOM 888 CB SER A 56 -8.171 7.147 10.870 1.00 0.87 C ATOM 889 OG SER A 56 -7.596 7.174 9.573 1.00 1.04 O ATOM 0 H SER A 56 -5.692 6.370 10.904 1.00 0.79 H new ATOM 0 HA SER A 56 -7.932 6.138 12.759 1.00 0.85 H new ATOM 0 HB2 SER A 56 -9.249 7.011 10.786 1.00 0.87 H new ATOM 0 HB3 SER A 56 -8.008 8.107 11.360 1.00 0.87 H new ATOM 0 HG SER A 56 -7.159 8.039 9.427 1.00 1.04 H new ATOM 895 N GLY A 57 -7.272 4.059 10.308 1.00 0.83 N ATOM 896 CA GLY A 57 -7.697 2.851 9.612 1.00 0.97 C ATOM 897 C GLY A 57 -8.378 3.133 8.269 1.00 0.66 C ATOM 898 O GLY A 57 -9.137 2.287 7.795 1.00 0.63 O ATOM 0 H GLY A 57 -6.334 4.374 10.062 1.00 0.83 H new ATOM 0 HA2 GLY A 57 -6.830 2.212 9.445 1.00 0.97 H new ATOM 0 HA3 GLY A 57 -8.384 2.295 10.250 1.00 0.97 H new ATOM 902 N PHE A 58 -8.116 4.286 7.639 1.00 0.55 N ATOM 903 CA PHE A 58 -8.688 4.648 6.337 1.00 0.45 C ATOM 904 C PHE A 58 -7.681 5.483 5.528 1.00 0.52 C ATOM 905 O PHE A 58 -7.492 6.670 5.826 1.00 0.89 O ATOM 906 CB PHE A 58 -10.034 5.383 6.524 1.00 0.41 C ATOM 907 CG PHE A 58 -10.889 4.972 7.708 1.00 0.76 C ATOM 908 CD1 PHE A 58 -11.683 3.811 7.650 1.00 1.31 C ATOM 909 CD2 PHE A 58 -10.855 5.737 8.885 1.00 2.49 C ATOM 910 CE1 PHE A 58 -12.397 3.390 8.787 1.00 1.45 C ATOM 911 CE2 PHE A 58 -11.569 5.319 10.021 1.00 2.93 C ATOM 912 CZ PHE A 58 -12.329 4.137 9.975 1.00 1.83 C ATOM 0 H PHE A 58 -7.496 4.999 8.023 1.00 0.55 H new ATOM 0 HA PHE A 58 -8.892 3.740 5.770 1.00 0.45 H new ATOM 0 HB2 PHE A 58 -9.827 6.450 6.610 1.00 0.41 H new ATOM 0 HB3 PHE A 58 -10.623 5.245 5.617 1.00 0.41 H new ATOM 0 HD1 PHE A 58 -11.744 3.244 6.733 1.00 1.31 H new ATOM 0 HD2 PHE A 58 -10.278 6.650 8.917 1.00 2.49 H new ATOM 0 HE1 PHE A 58 -12.997 2.493 8.747 1.00 1.45 H new ATOM 0 HE2 PHE A 58 -11.534 5.905 10.928 1.00 2.93 H new ATOM 0 HZ PHE A 58 -12.861 3.803 10.854 1.00 1.83 H new ATOM 922 N ILE A 59 -7.020 4.895 4.516 1.00 0.38 N ATOM 923 CA ILE A 59 -6.148 5.688 3.631 1.00 0.38 C ATOM 924 C ILE A 59 -7.019 6.534 2.692 1.00 0.33 C ATOM 925 O ILE A 59 -7.879 6.001 1.994 1.00 0.34 O ATOM 926 CB ILE A 59 -5.198 4.763 2.858 1.00 0.44 C ATOM 927 CG1 ILE A 59 -4.065 4.264 3.763 1.00 0.82 C ATOM 928 CG2 ILE A 59 -4.618 5.394 1.582 1.00 0.86 C ATOM 929 CD1 ILE A 59 -3.370 3.059 3.127 1.00 0.96 C ATOM 0 H ILE A 59 -7.069 3.901 4.293 1.00 0.38 H new ATOM 0 HA ILE A 59 -5.529 6.364 4.221 1.00 0.38 H new ATOM 0 HB ILE A 59 -5.808 3.919 2.535 1.00 0.44 H new ATOM 0 HG12 ILE A 59 -3.343 5.064 3.928 1.00 0.82 H new ATOM 0 HG13 ILE A 59 -4.464 3.989 4.739 1.00 0.82 H new ATOM 0 HG21 ILE A 59 -3.957 4.680 1.091 1.00 0.86 H new ATOM 0 HG22 ILE A 59 -5.431 5.660 0.906 1.00 0.86 H new ATOM 0 HG23 ILE A 59 -4.055 6.290 1.843 1.00 0.86 H new ATOM 0 HD11 ILE A 59 -2.568 2.715 3.780 1.00 0.96 H new ATOM 0 HD12 ILE A 59 -4.092 2.255 2.985 1.00 0.96 H new ATOM 0 HD13 ILE A 59 -2.954 3.347 2.162 1.00 0.96 H new ATOM 941 N GLU A 60 -6.759 7.840 2.672 1.00 0.37 N ATOM 942 CA GLU A 60 -7.465 8.896 1.934 1.00 0.39 C ATOM 943 C GLU A 60 -6.445 9.683 1.105 1.00 0.41 C ATOM 944 O GLU A 60 -5.270 9.698 1.477 1.00 0.54 O ATOM 945 CB GLU A 60 -8.122 9.873 2.931 1.00 0.56 C ATOM 946 CG GLU A 60 -9.204 9.187 3.770 1.00 1.50 C ATOM 947 CD GLU A 60 -9.485 9.820 5.131 1.00 1.36 C ATOM 948 OE1 GLU A 60 -8.521 9.903 5.931 1.00 1.33 O ATOM 949 OE2 GLU A 60 -10.681 10.066 5.408 1.00 2.24 O ATOM 0 H GLU A 60 -5.985 8.223 3.216 1.00 0.37 H new ATOM 0 HA GLU A 60 -8.224 8.445 1.294 1.00 0.39 H new ATOM 0 HB2 GLU A 60 -7.359 10.287 3.590 1.00 0.56 H new ATOM 0 HB3 GLU A 60 -8.560 10.709 2.386 1.00 0.56 H new ATOM 0 HG2 GLU A 60 -10.131 9.176 3.196 1.00 1.50 H new ATOM 0 HG3 GLU A 60 -8.913 8.148 3.926 1.00 1.50 H new ATOM 956 N GLU A 61 -6.887 10.362 0.035 1.00 0.45 N ATOM 957 CA GLU A 61 -6.030 11.059 -0.942 1.00 0.51 C ATOM 958 C GLU A 61 -4.900 11.908 -0.325 1.00 0.60 C ATOM 959 O GLU A 61 -3.771 11.856 -0.814 1.00 0.59 O ATOM 960 CB GLU A 61 -6.875 11.828 -1.967 1.00 0.64 C ATOM 961 CG GLU A 61 -7.763 12.930 -1.380 1.00 1.28 C ATOM 962 CD GLU A 61 -8.597 13.575 -2.493 1.00 1.96 C ATOM 963 OE1 GLU A 61 -9.564 12.913 -2.935 1.00 2.94 O ATOM 964 OE2 GLU A 61 -8.243 14.700 -2.915 1.00 2.52 O ATOM 0 H GLU A 61 -7.880 10.445 -0.182 1.00 0.45 H new ATOM 0 HA GLU A 61 -5.491 10.276 -1.476 1.00 0.51 H new ATOM 0 HB2 GLU A 61 -6.207 12.275 -2.704 1.00 0.64 H new ATOM 0 HB3 GLU A 61 -7.508 11.118 -2.499 1.00 0.64 H new ATOM 0 HG2 GLU A 61 -8.420 12.512 -0.617 1.00 1.28 H new ATOM 0 HG3 GLU A 61 -7.146 13.685 -0.892 1.00 1.28 H new ATOM 971 N ASP A 62 -5.183 12.581 0.797 1.00 0.74 N ATOM 972 CA ASP A 62 -4.253 13.272 1.696 1.00 0.85 C ATOM 973 C ASP A 62 -2.966 12.483 1.998 1.00 0.84 C ATOM 974 O ASP A 62 -1.864 12.945 1.709 1.00 1.00 O ATOM 975 CB ASP A 62 -5.001 13.563 3.006 1.00 0.92 C ATOM 976 CG ASP A 62 -6.105 14.597 2.808 1.00 2.55 C ATOM 977 OD1 ASP A 62 -7.201 14.167 2.383 1.00 4.05 O ATOM 978 OD2 ASP A 62 -5.830 15.789 3.067 1.00 3.06 O ATOM 0 H ASP A 62 -6.145 12.662 1.125 1.00 0.74 H new ATOM 0 HA ASP A 62 -3.926 14.184 1.196 1.00 0.85 H new ATOM 0 HB2 ASP A 62 -5.433 12.639 3.391 1.00 0.92 H new ATOM 0 HB3 ASP A 62 -4.296 13.923 3.755 1.00 0.92 H new ATOM 983 N GLU A 63 -3.100 11.296 2.598 1.00 0.75 N ATOM 984 CA GLU A 63 -1.981 10.391 2.886 1.00 0.82 C ATOM 985 C GLU A 63 -1.609 9.545 1.669 1.00 0.69 C ATOM 986 O GLU A 63 -0.451 9.142 1.531 1.00 0.68 O ATOM 987 CB GLU A 63 -2.369 9.458 4.039 1.00 0.99 C ATOM 988 CG GLU A 63 -2.254 10.146 5.408 1.00 1.15 C ATOM 989 CD GLU A 63 -3.499 9.898 6.259 1.00 1.53 C ATOM 990 OE1 GLU A 63 -3.880 8.715 6.453 1.00 1.08 O ATOM 991 OE2 GLU A 63 -4.144 10.876 6.682 1.00 3.11 O ATOM 0 H GLU A 63 -4.002 10.931 2.902 1.00 0.75 H new ATOM 0 HA GLU A 63 -1.118 11.001 3.155 1.00 0.82 H new ATOM 0 HB2 GLU A 63 -3.392 9.110 3.894 1.00 0.99 H new ATOM 0 HB3 GLU A 63 -1.728 8.577 4.022 1.00 0.99 H new ATOM 0 HG2 GLU A 63 -1.373 9.775 5.931 1.00 1.15 H new ATOM 0 HG3 GLU A 63 -2.114 11.218 5.268 1.00 1.15 H new ATOM 998 N LEU A 64 -2.579 9.299 0.777 1.00 0.66 N ATOM 999 CA LEU A 64 -2.413 8.516 -0.440 1.00 0.63 C ATOM 1000 C LEU A 64 -1.283 9.050 -1.319 1.00 0.63 C ATOM 1001 O LEU A 64 -0.593 8.264 -1.959 1.00 0.73 O ATOM 1002 CB LEU A 64 -3.741 8.424 -1.191 1.00 0.61 C ATOM 1003 CG LEU A 64 -3.893 7.138 -2.011 1.00 0.56 C ATOM 1004 CD1 LEU A 64 -5.339 6.627 -1.968 1.00 1.15 C ATOM 1005 CD2 LEU A 64 -3.596 7.409 -3.471 1.00 1.24 C ATOM 0 H LEU A 64 -3.528 9.654 0.893 1.00 0.66 H new ATOM 0 HA LEU A 64 -2.116 7.506 -0.158 1.00 0.63 H new ATOM 0 HB2 LEU A 64 -4.560 8.487 -0.474 1.00 0.61 H new ATOM 0 HB3 LEU A 64 -3.833 9.283 -1.856 1.00 0.61 H new ATOM 0 HG LEU A 64 -3.204 6.409 -1.584 1.00 0.56 H new ATOM 0 HD11 LEU A 64 -5.420 5.714 -2.558 1.00 1.15 H new ATOM 0 HD12 LEU A 64 -5.621 6.419 -0.936 1.00 1.15 H new ATOM 0 HD13 LEU A 64 -6.005 7.385 -2.380 1.00 1.15 H new ATOM 0 HD21 LEU A 64 -3.708 6.487 -4.042 1.00 1.24 H new ATOM 0 HD22 LEU A 64 -4.291 8.158 -3.851 1.00 1.24 H new ATOM 0 HD23 LEU A 64 -2.575 7.777 -3.572 1.00 1.24 H new ATOM 1017 N GLY A 65 -1.044 10.365 -1.261 1.00 0.62 N ATOM 1018 CA GLY A 65 0.184 11.028 -1.688 1.00 0.80 C ATOM 1019 C GLY A 65 1.465 10.200 -1.513 1.00 0.57 C ATOM 1020 O GLY A 65 2.205 10.056 -2.477 1.00 0.54 O ATOM 0 H GLY A 65 -1.735 11.022 -0.898 1.00 0.62 H new ATOM 0 HA2 GLY A 65 0.086 11.299 -2.739 1.00 0.80 H new ATOM 0 HA3 GLY A 65 0.291 11.957 -1.128 1.00 0.80 H new ATOM 1024 N PHE A 66 1.744 9.626 -0.331 1.00 0.53 N ATOM 1025 CA PHE A 66 3.019 8.931 -0.068 1.00 0.40 C ATOM 1026 C PHE A 66 2.893 7.703 0.863 1.00 0.38 C ATOM 1027 O PHE A 66 3.662 7.536 1.812 1.00 0.52 O ATOM 1028 CB PHE A 66 4.088 9.955 0.376 1.00 0.41 C ATOM 1029 CG PHE A 66 3.733 10.857 1.547 1.00 0.51 C ATOM 1030 CD1 PHE A 66 3.095 12.092 1.320 1.00 1.57 C ATOM 1031 CD2 PHE A 66 4.070 10.486 2.861 1.00 1.51 C ATOM 1032 CE1 PHE A 66 2.774 12.932 2.400 1.00 1.72 C ATOM 1033 CE2 PHE A 66 3.761 11.328 3.943 1.00 1.62 C ATOM 1034 CZ PHE A 66 3.106 12.551 3.712 1.00 1.04 C ATOM 0 H PHE A 66 1.102 9.629 0.462 1.00 0.53 H new ATOM 0 HA PHE A 66 3.353 8.484 -1.004 1.00 0.40 H new ATOM 0 HB2 PHE A 66 4.996 9.408 0.632 1.00 0.41 H new ATOM 0 HB3 PHE A 66 4.327 10.588 -0.479 1.00 0.41 H new ATOM 0 HD1 PHE A 66 2.852 12.395 0.312 1.00 1.57 H new ATOM 0 HD2 PHE A 66 4.571 9.546 3.040 1.00 1.51 H new ATOM 0 HE1 PHE A 66 2.272 13.871 2.222 1.00 1.72 H new ATOM 0 HE2 PHE A 66 4.026 11.037 4.949 1.00 1.62 H new ATOM 0 HZ PHE A 66 2.858 13.197 4.542 1.00 1.04 H new ATOM 1044 N ILE A 67 1.968 6.779 0.552 1.00 0.35 N ATOM 1045 CA ILE A 67 1.657 5.581 1.367 1.00 0.34 C ATOM 1046 C ILE A 67 2.878 4.702 1.612 1.00 0.35 C ATOM 1047 O ILE A 67 3.017 4.078 2.667 1.00 0.38 O ATOM 1048 CB ILE A 67 0.469 4.785 0.795 1.00 0.53 C ATOM 1049 CG1 ILE A 67 0.782 3.938 -0.451 1.00 1.46 C ATOM 1050 CG2 ILE A 67 -0.687 5.705 0.452 1.00 1.91 C ATOM 1051 CD1 ILE A 67 1.283 2.564 -0.038 1.00 0.68 C ATOM 0 H ILE A 67 1.399 6.841 -0.292 1.00 0.35 H new ATOM 0 HA ILE A 67 1.349 5.948 2.346 1.00 0.34 H new ATOM 0 HB ILE A 67 0.212 4.093 1.597 1.00 0.53 H new ATOM 0 HG12 ILE A 67 -0.113 3.838 -1.066 1.00 1.46 H new ATOM 0 HG13 ILE A 67 1.533 4.439 -1.061 1.00 1.46 H new ATOM 0 HG21 ILE A 67 -1.513 5.118 0.050 1.00 1.91 H new ATOM 0 HG22 ILE A 67 -1.016 6.226 1.351 1.00 1.91 H new ATOM 0 HG23 ILE A 67 -0.364 6.433 -0.292 1.00 1.91 H new ATOM 0 HD11 ILE A 67 1.501 1.974 -0.928 1.00 0.68 H new ATOM 0 HD12 ILE A 67 2.190 2.671 0.558 1.00 0.68 H new ATOM 0 HD13 ILE A 67 0.518 2.060 0.553 1.00 0.68 H new ATOM 1063 N LEU A 68 3.785 4.688 0.632 1.00 0.40 N ATOM 1064 CA LEU A 68 5.017 3.919 0.657 1.00 0.44 C ATOM 1065 C LEU A 68 5.885 4.231 1.877 1.00 0.45 C ATOM 1066 O LEU A 68 6.619 3.341 2.298 1.00 0.46 O ATOM 1067 CB LEU A 68 5.801 4.178 -0.631 1.00 0.60 C ATOM 1068 CG LEU A 68 5.438 3.259 -1.802 1.00 0.91 C ATOM 1069 CD1 LEU A 68 5.478 4.016 -3.129 1.00 0.95 C ATOM 1070 CD2 LEU A 68 6.473 2.122 -1.865 1.00 1.99 C ATOM 0 H LEU A 68 3.672 5.231 -0.224 1.00 0.40 H new ATOM 0 HA LEU A 68 4.746 2.866 0.729 1.00 0.44 H new ATOM 0 HB2 LEU A 68 5.640 5.212 -0.936 1.00 0.60 H new ATOM 0 HB3 LEU A 68 6.865 4.070 -0.420 1.00 0.60 H new ATOM 0 HG LEU A 68 4.430 2.875 -1.646 1.00 0.91 H new ATOM 0 HD11 LEU A 68 5.216 3.339 -3.942 1.00 0.95 H new ATOM 0 HD12 LEU A 68 4.765 4.840 -3.099 1.00 0.95 H new ATOM 0 HD13 LEU A 68 6.481 4.410 -3.293 1.00 0.95 H new ATOM 0 HD21 LEU A 68 6.232 1.456 -2.693 1.00 1.99 H new ATOM 0 HD22 LEU A 68 7.467 2.543 -2.015 1.00 1.99 H new ATOM 0 HD23 LEU A 68 6.454 1.561 -0.931 1.00 1.99 H new ATOM 1082 N LYS A 69 5.775 5.429 2.483 1.00 0.51 N ATOM 1083 CA LYS A 69 6.502 5.767 3.717 1.00 0.67 C ATOM 1084 C LYS A 69 6.132 4.858 4.887 1.00 0.69 C ATOM 1085 O LYS A 69 6.862 4.795 5.875 1.00 0.90 O ATOM 1086 CB LYS A 69 6.265 7.226 4.125 1.00 0.96 C ATOM 1087 CG LYS A 69 7.308 8.184 3.536 1.00 0.72 C ATOM 1088 CD LYS A 69 7.365 9.459 4.388 1.00 1.47 C ATOM 1089 CE LYS A 69 8.472 10.396 3.904 1.00 1.73 C ATOM 1090 NZ LYS A 69 8.110 11.814 4.135 1.00 3.18 N ATOM 0 H LYS A 69 5.184 6.183 2.132 1.00 0.51 H new ATOM 0 HA LYS A 69 7.557 5.617 3.488 1.00 0.67 H new ATOM 0 HB2 LYS A 69 5.271 7.533 3.799 1.00 0.96 H new ATOM 0 HB3 LYS A 69 6.281 7.302 5.212 1.00 0.96 H new ATOM 0 HG2 LYS A 69 8.287 7.705 3.513 1.00 0.72 H new ATOM 0 HG3 LYS A 69 7.050 8.432 2.506 1.00 0.72 H new ATOM 0 HD2 LYS A 69 6.405 9.973 4.344 1.00 1.47 H new ATOM 0 HD3 LYS A 69 7.538 9.195 5.431 1.00 1.47 H new ATOM 0 HE2 LYS A 69 9.401 10.165 4.425 1.00 1.73 H new ATOM 0 HE3 LYS A 69 8.653 10.232 2.842 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 8.879 12.428 3.797 1.00 3.18 H new ATOM 0 HZ2 LYS A 69 7.236 12.038 3.618 1.00 3.18 H new ATOM 0 HZ3 LYS A 69 7.961 11.973 5.152 1.00 3.18 H new ATOM 1104 N GLY A 70 5.000 4.161 4.796 1.00 0.57 N ATOM 1105 CA GLY A 70 4.693 3.063 5.690 1.00 0.65 C ATOM 1106 C GLY A 70 5.501 1.818 5.397 1.00 0.58 C ATOM 1107 O GLY A 70 6.106 1.244 6.297 1.00 0.76 O ATOM 0 H GLY A 70 4.277 4.346 4.101 1.00 0.57 H new ATOM 0 HA2 GLY A 70 4.878 3.376 6.718 1.00 0.65 H new ATOM 0 HA3 GLY A 70 3.632 2.827 5.615 1.00 0.65 H new ATOM 1111 N PHE A 71 5.504 1.402 4.134 1.00 0.50 N ATOM 1112 CA PHE A 71 6.266 0.252 3.689 1.00 0.48 C ATOM 1113 C PHE A 71 7.767 0.385 3.963 1.00 0.50 C ATOM 1114 O PHE A 71 8.350 -0.588 4.432 1.00 0.62 O ATOM 1115 CB PHE A 71 5.964 -0.014 2.213 1.00 0.44 C ATOM 1116 CG PHE A 71 4.546 -0.486 1.929 1.00 0.54 C ATOM 1117 CD1 PHE A 71 4.044 -1.599 2.623 1.00 1.45 C ATOM 1118 CD2 PHE A 71 3.788 0.067 0.876 1.00 1.68 C ATOM 1119 CE1 PHE A 71 2.817 -2.170 2.258 1.00 1.44 C ATOM 1120 CE2 PHE A 71 2.562 -0.517 0.507 1.00 1.82 C ATOM 1121 CZ PHE A 71 2.080 -1.643 1.189 1.00 0.89 C ATOM 0 H PHE A 71 4.974 1.859 3.392 1.00 0.50 H new ATOM 0 HA PHE A 71 5.952 -0.612 4.275 1.00 0.48 H new ATOM 0 HB2 PHE A 71 6.148 0.900 1.648 1.00 0.44 H new ATOM 0 HB3 PHE A 71 6.663 -0.764 1.843 1.00 0.44 H new ATOM 0 HD1 PHE A 71 4.607 -2.018 3.444 1.00 1.45 H new ATOM 0 HD2 PHE A 71 4.149 0.940 0.352 1.00 1.68 H new ATOM 0 HE1 PHE A 71 2.437 -3.021 2.804 1.00 1.44 H new ATOM 0 HE2 PHE A 71 1.989 -0.096 -0.306 1.00 1.82 H new ATOM 0 HZ PHE A 71 1.148 -2.101 0.893 1.00 0.89 H new ATOM 1131 N SER A 72 8.388 1.546 3.690 1.00 0.44 N ATOM 1132 CA SER A 72 9.806 1.813 3.968 1.00 0.45 C ATOM 1133 C SER A 72 10.182 3.265 3.632 1.00 0.51 C ATOM 1134 O SER A 72 9.341 4.001 3.112 1.00 0.61 O ATOM 1135 CB SER A 72 10.658 0.824 3.159 1.00 0.40 C ATOM 1136 OG SER A 72 11.494 0.096 4.037 1.00 0.76 O ATOM 0 H SER A 72 7.908 2.338 3.262 1.00 0.44 H new ATOM 0 HA SER A 72 9.995 1.677 5.033 1.00 0.45 H new ATOM 0 HB2 SER A 72 10.014 0.142 2.603 1.00 0.40 H new ATOM 0 HB3 SER A 72 11.261 1.361 2.427 1.00 0.40 H new ATOM 0 HG SER A 72 12.146 -0.418 3.517 1.00 0.76 H new ATOM 1142 N PRO A 73 11.424 3.724 3.892 1.00 0.52 N ATOM 1143 CA PRO A 73 11.896 4.973 3.316 1.00 0.60 C ATOM 1144 C PRO A 73 12.087 4.831 1.795 1.00 0.60 C ATOM 1145 O PRO A 73 11.892 3.767 1.211 1.00 0.58 O ATOM 1146 CB PRO A 73 13.186 5.311 4.068 1.00 0.62 C ATOM 1147 CG PRO A 73 13.730 3.960 4.528 1.00 0.57 C ATOM 1148 CD PRO A 73 12.519 3.027 4.555 1.00 0.50 C ATOM 0 HA PRO A 73 11.180 5.787 3.428 1.00 0.60 H new ATOM 0 HB2 PRO A 73 13.898 5.826 3.423 1.00 0.62 H new ATOM 0 HB3 PRO A 73 12.990 5.969 4.915 1.00 0.62 H new ATOM 0 HG2 PRO A 73 14.496 3.591 3.846 1.00 0.57 H new ATOM 0 HG3 PRO A 73 14.190 4.036 5.513 1.00 0.57 H new ATOM 0 HD2 PRO A 73 12.744 2.090 4.045 1.00 0.50 H new ATOM 0 HD3 PRO A 73 12.250 2.775 5.581 1.00 0.50 H new ATOM 1156 N ASP A 74 12.403 5.953 1.146 1.00 0.66 N ATOM 1157 CA ASP A 74 12.632 6.117 -0.300 1.00 0.67 C ATOM 1158 C ASP A 74 11.351 6.004 -1.136 1.00 0.60 C ATOM 1159 O ASP A 74 11.393 6.078 -2.358 1.00 0.70 O ATOM 1160 CB ASP A 74 13.779 5.224 -0.801 1.00 0.84 C ATOM 1161 CG ASP A 74 15.039 5.431 0.040 1.00 2.63 C ATOM 1162 OD1 ASP A 74 15.389 6.620 0.233 1.00 3.53 O ATOM 1163 OD2 ASP A 74 15.619 4.417 0.485 1.00 4.00 O ATOM 0 H ASP A 74 12.515 6.835 1.647 1.00 0.66 H new ATOM 0 HA ASP A 74 12.961 7.146 -0.449 1.00 0.67 H new ATOM 0 HB2 ASP A 74 13.476 4.178 -0.758 1.00 0.84 H new ATOM 0 HB3 ASP A 74 13.993 5.451 -1.845 1.00 0.84 H new ATOM 1168 N ALA A 75 10.227 5.928 -0.425 1.00 0.61 N ATOM 1169 CA ALA A 75 8.825 5.874 -0.791 1.00 0.66 C ATOM 1170 C ALA A 75 8.362 6.855 -1.867 1.00 0.81 C ATOM 1171 O ALA A 75 7.794 6.444 -2.877 1.00 1.70 O ATOM 1172 CB ALA A 75 8.105 6.178 0.523 1.00 0.67 C ATOM 0 H ALA A 75 10.305 5.899 0.592 1.00 0.61 H new ATOM 0 HA ALA A 75 8.612 4.904 -1.241 1.00 0.66 H new ATOM 0 HB1 ALA A 75 7.027 6.163 0.359 1.00 0.67 H new ATOM 0 HB2 ALA A 75 8.370 5.426 1.266 1.00 0.67 H new ATOM 0 HB3 ALA A 75 8.403 7.163 0.882 1.00 0.67 H new ATOM 1178 N ARG A 76 8.602 8.146 -1.606 1.00 0.73 N ATOM 1179 CA ARG A 76 8.299 9.307 -2.457 1.00 0.65 C ATOM 1180 C ARG A 76 6.797 9.594 -2.541 1.00 0.67 C ATOM 1181 O ARG A 76 5.972 8.873 -1.980 1.00 0.86 O ATOM 1182 CB ARG A 76 8.941 9.167 -3.861 1.00 0.74 C ATOM 1183 CG ARG A 76 10.291 8.434 -3.825 1.00 0.79 C ATOM 1184 CD ARG A 76 11.367 8.980 -4.764 1.00 0.99 C ATOM 1185 NE ARG A 76 12.014 10.163 -4.160 1.00 1.91 N ATOM 1186 CZ ARG A 76 12.821 10.168 -3.101 1.00 2.92 C ATOM 1187 NH1 ARG A 76 13.222 9.059 -2.514 1.00 4.25 N ATOM 1188 NH2 ARG A 76 13.224 11.308 -2.592 1.00 3.69 N ATOM 0 H ARG A 76 9.045 8.429 -0.732 1.00 0.73 H new ATOM 0 HA ARG A 76 8.751 10.175 -1.978 1.00 0.65 H new ATOM 0 HB2 ARG A 76 8.257 8.628 -4.517 1.00 0.74 H new ATOM 0 HB3 ARG A 76 9.082 10.158 -4.292 1.00 0.74 H new ATOM 0 HG2 ARG A 76 10.674 8.467 -2.805 1.00 0.79 H new ATOM 0 HG3 ARG A 76 10.121 7.385 -4.068 1.00 0.79 H new ATOM 0 HD2 ARG A 76 12.112 8.210 -4.963 1.00 0.99 H new ATOM 0 HD3 ARG A 76 10.922 9.248 -5.722 1.00 0.99 H new ATOM 0 HE ARG A 76 11.824 11.065 -4.597 1.00 1.91 H new ATOM 0 HH11 ARG A 76 12.914 8.154 -2.869 1.00 4.25 H new ATOM 0 HH12 ARG A 76 13.841 9.105 -1.704 1.00 4.25 H new ATOM 0 HH21 ARG A 76 12.919 12.188 -3.008 1.00 3.69 H new ATOM 0 HH22 ARG A 76 13.842 11.314 -1.781 1.00 3.69 H new ATOM 1202 N ASP A 77 6.463 10.689 -3.221 1.00 0.60 N ATOM 1203 CA ASP A 77 5.088 11.015 -3.578 1.00 0.64 C ATOM 1204 C ASP A 77 4.691 10.212 -4.832 1.00 0.69 C ATOM 1205 O ASP A 77 5.379 10.273 -5.853 1.00 0.79 O ATOM 1206 CB ASP A 77 4.941 12.536 -3.764 1.00 0.74 C ATOM 1207 CG ASP A 77 3.643 13.049 -3.132 1.00 2.85 C ATOM 1208 OD1 ASP A 77 3.670 13.268 -1.899 1.00 3.96 O ATOM 1209 OD2 ASP A 77 2.654 13.227 -3.873 1.00 4.00 O ATOM 0 H ASP A 77 7.144 11.378 -3.541 1.00 0.60 H new ATOM 0 HA ASP A 77 4.403 10.733 -2.778 1.00 0.64 H new ATOM 0 HB2 ASP A 77 5.794 13.044 -3.313 1.00 0.74 H new ATOM 0 HB3 ASP A 77 4.951 12.778 -4.827 1.00 0.74 H new ATOM 1214 N LEU A 78 3.617 9.423 -4.733 1.00 0.69 N ATOM 1215 CA LEU A 78 2.977 8.705 -5.841 1.00 0.78 C ATOM 1216 C LEU A 78 2.562 9.677 -6.961 1.00 0.63 C ATOM 1217 O LEU A 78 2.252 10.840 -6.703 1.00 0.53 O ATOM 1218 CB LEU A 78 1.720 7.959 -5.343 1.00 0.88 C ATOM 1219 CG LEU A 78 1.894 6.966 -4.178 1.00 1.10 C ATOM 1220 CD1 LEU A 78 0.600 6.171 -3.980 1.00 1.40 C ATOM 1221 CD2 LEU A 78 3.000 5.944 -4.418 1.00 1.63 C ATOM 0 H LEU A 78 3.150 9.260 -3.841 1.00 0.69 H new ATOM 0 HA LEU A 78 3.702 7.991 -6.233 1.00 0.78 H new ATOM 0 HB2 LEU A 78 0.984 8.705 -5.042 1.00 0.88 H new ATOM 0 HB3 LEU A 78 1.296 7.415 -6.187 1.00 0.88 H new ATOM 0 HG LEU A 78 2.152 7.570 -3.308 1.00 1.10 H new ATOM 0 HD11 LEU A 78 0.726 5.470 -3.155 1.00 1.40 H new ATOM 0 HD12 LEU A 78 -0.217 6.856 -3.752 1.00 1.40 H new ATOM 0 HD13 LEU A 78 0.368 5.621 -4.892 1.00 1.40 H new ATOM 0 HD21 LEU A 78 3.070 5.275 -3.560 1.00 1.63 H new ATOM 0 HD22 LEU A 78 2.772 5.364 -5.312 1.00 1.63 H new ATOM 0 HD23 LEU A 78 3.950 6.461 -4.553 1.00 1.63 H new ATOM 1233 N SER A 79 2.474 9.205 -8.213 1.00 0.75 N ATOM 1234 CA SER A 79 2.013 10.070 -9.311 1.00 0.76 C ATOM 1235 C SER A 79 0.553 10.503 -9.140 1.00 0.56 C ATOM 1236 O SER A 79 -0.274 9.749 -8.630 1.00 0.42 O ATOM 1237 CB SER A 79 2.215 9.366 -10.650 1.00 0.94 C ATOM 1238 OG SER A 79 2.155 10.296 -11.710 1.00 1.22 O ATOM 0 H SER A 79 2.710 8.251 -8.488 1.00 0.75 H new ATOM 0 HA SER A 79 2.614 10.979 -9.288 1.00 0.76 H new ATOM 0 HB2 SER A 79 3.179 8.857 -10.659 1.00 0.94 H new ATOM 0 HB3 SER A 79 1.450 8.602 -10.785 1.00 0.94 H new ATOM 0 HG SER A 79 2.288 9.830 -12.562 1.00 1.22 H new ATOM 1244 N ALA A 80 0.201 11.688 -9.657 1.00 0.68 N ATOM 1245 CA ALA A 80 -1.171 12.210 -9.667 1.00 0.68 C ATOM 1246 C ALA A 80 -2.166 11.244 -10.345 1.00 0.57 C ATOM 1247 O ALA A 80 -3.330 11.137 -9.958 1.00 0.59 O ATOM 1248 CB ALA A 80 -1.175 13.571 -10.363 1.00 0.96 C ATOM 0 H ALA A 80 0.874 12.322 -10.088 1.00 0.68 H new ATOM 0 HA ALA A 80 -1.505 12.316 -8.635 1.00 0.68 H new ATOM 0 HB1 ALA A 80 -2.189 13.970 -10.377 1.00 0.96 H new ATOM 0 HB2 ALA A 80 -0.523 14.258 -9.823 1.00 0.96 H new ATOM 0 HB3 ALA A 80 -0.816 13.458 -11.386 1.00 0.96 H new ATOM 1254 N LYS A 81 -1.687 10.516 -11.358 1.00 0.59 N ATOM 1255 CA LYS A 81 -2.437 9.488 -12.082 1.00 0.58 C ATOM 1256 C LYS A 81 -2.534 8.168 -11.306 1.00 0.55 C ATOM 1257 O LYS A 81 -3.587 7.531 -11.301 1.00 0.55 O ATOM 1258 CB LYS A 81 -1.763 9.283 -13.444 1.00 0.61 C ATOM 1259 CG LYS A 81 -1.639 10.547 -14.309 1.00 0.52 C ATOM 1260 CD LYS A 81 -2.978 11.283 -14.431 1.00 1.68 C ATOM 1261 CE LYS A 81 -3.076 12.012 -15.775 1.00 1.95 C ATOM 1262 NZ LYS A 81 -4.469 12.026 -16.276 1.00 3.34 N ATOM 0 H LYS A 81 -0.736 10.630 -11.707 1.00 0.59 H new ATOM 0 HA LYS A 81 -3.465 9.826 -12.212 1.00 0.58 H new ATOM 0 HB2 LYS A 81 -0.766 8.875 -13.280 1.00 0.61 H new ATOM 0 HB3 LYS A 81 -2.326 8.534 -14.001 1.00 0.61 H new ATOM 0 HG2 LYS A 81 -0.895 11.214 -13.874 1.00 0.52 H new ATOM 0 HG3 LYS A 81 -1.281 10.275 -15.302 1.00 0.52 H new ATOM 0 HD2 LYS A 81 -3.799 10.572 -14.337 1.00 1.68 H new ATOM 0 HD3 LYS A 81 -3.081 11.999 -13.615 1.00 1.68 H new ATOM 0 HE2 LYS A 81 -2.716 13.035 -15.664 1.00 1.95 H new ATOM 0 HE3 LYS A 81 -2.429 11.524 -16.504 1.00 1.95 H new ATOM 0 HZ1 LYS A 81 -4.505 12.526 -17.187 1.00 3.34 H new ATOM 0 HZ2 LYS A 81 -4.802 11.049 -16.404 1.00 3.34 H new ATOM 0 HZ3 LYS A 81 -5.080 12.513 -15.589 1.00 3.34 H new ATOM 1276 N GLU A 82 -1.482 7.848 -10.551 1.00 0.53 N ATOM 1277 CA GLU A 82 -1.437 6.762 -9.582 1.00 0.48 C ATOM 1278 C GLU A 82 -2.495 6.987 -8.504 1.00 0.38 C ATOM 1279 O GLU A 82 -3.373 6.147 -8.374 1.00 0.41 O ATOM 1280 CB GLU A 82 -0.035 6.684 -8.965 1.00 0.55 C ATOM 1281 CG GLU A 82 0.716 5.404 -9.273 1.00 0.85 C ATOM 1282 CD GLU A 82 2.187 5.585 -8.898 1.00 1.98 C ATOM 1283 OE1 GLU A 82 2.835 6.444 -9.549 1.00 3.48 O ATOM 1284 OE2 GLU A 82 2.620 4.913 -7.938 1.00 2.68 O ATOM 0 H GLU A 82 -0.603 8.363 -10.603 1.00 0.53 H new ATOM 0 HA GLU A 82 -1.651 5.816 -10.079 1.00 0.48 H new ATOM 0 HB2 GLU A 82 0.553 7.530 -9.321 1.00 0.55 H new ATOM 0 HB3 GLU A 82 -0.121 6.789 -7.883 1.00 0.55 H new ATOM 0 HG2 GLU A 82 0.285 4.572 -8.716 1.00 0.85 H new ATOM 0 HG3 GLU A 82 0.625 5.160 -10.331 1.00 0.85 H new ATOM 1291 N THR A 83 -2.463 8.121 -7.779 1.00 0.36 N ATOM 1292 CA THR A 83 -3.473 8.441 -6.752 1.00 0.37 C ATOM 1293 C THR A 83 -4.897 8.383 -7.300 1.00 0.41 C ATOM 1294 O THR A 83 -5.742 7.735 -6.684 1.00 0.47 O ATOM 1295 CB THR A 83 -3.201 9.755 -5.981 1.00 0.49 C ATOM 1296 OG1 THR A 83 -4.289 10.113 -5.165 1.00 2.16 O ATOM 1297 CG2 THR A 83 -2.988 10.985 -6.841 1.00 1.90 C ATOM 0 H THR A 83 -1.743 8.836 -7.887 1.00 0.36 H new ATOM 0 HA THR A 83 -3.377 7.649 -6.010 1.00 0.37 H new ATOM 0 HB THR A 83 -2.290 9.511 -5.434 1.00 0.49 H new ATOM 0 HG1 THR A 83 -4.083 10.946 -4.692 1.00 2.16 H new ATOM 0 HG21 THR A 83 -2.806 11.849 -6.202 1.00 1.90 H new ATOM 0 HG22 THR A 83 -2.129 10.829 -7.493 1.00 1.90 H new ATOM 0 HG23 THR A 83 -3.876 11.163 -7.447 1.00 1.90 H new ATOM 1305 N LYS A 84 -5.150 8.949 -8.493 1.00 0.47 N ATOM 1306 CA LYS A 84 -6.443 8.832 -9.183 1.00 0.58 C ATOM 1307 C LYS A 84 -6.937 7.387 -9.263 1.00 0.48 C ATOM 1308 O LYS A 84 -8.052 7.102 -8.823 1.00 0.57 O ATOM 1309 CB LYS A 84 -6.369 9.459 -10.585 1.00 0.75 C ATOM 1310 CG LYS A 84 -6.720 10.950 -10.557 1.00 1.58 C ATOM 1311 CD LYS A 84 -6.773 11.517 -11.981 1.00 1.57 C ATOM 1312 CE LYS A 84 -7.455 12.889 -11.951 1.00 2.54 C ATOM 1313 NZ LYS A 84 -8.132 13.200 -13.233 1.00 2.49 N ATOM 0 H LYS A 84 -4.462 9.501 -9.005 1.00 0.47 H new ATOM 0 HA LYS A 84 -7.171 9.383 -8.587 1.00 0.58 H new ATOM 0 HB2 LYS A 84 -5.365 9.329 -10.990 1.00 0.75 H new ATOM 0 HB3 LYS A 84 -7.053 8.936 -11.254 1.00 0.75 H new ATOM 0 HG2 LYS A 84 -7.683 11.094 -10.066 1.00 1.58 H new ATOM 0 HG3 LYS A 84 -5.979 11.493 -9.971 1.00 1.58 H new ATOM 0 HD2 LYS A 84 -5.766 11.607 -12.387 1.00 1.57 H new ATOM 0 HD3 LYS A 84 -7.321 10.839 -12.635 1.00 1.57 H new ATOM 0 HE2 LYS A 84 -8.184 12.914 -11.141 1.00 2.54 H new ATOM 0 HE3 LYS A 84 -6.713 13.658 -11.737 1.00 2.54 H new ATOM 0 HZ1 LYS A 84 -8.580 14.136 -13.171 1.00 2.49 H new ATOM 0 HZ2 LYS A 84 -7.433 13.201 -14.003 1.00 2.49 H new ATOM 0 HZ3 LYS A 84 -8.858 12.481 -13.426 1.00 2.49 H new ATOM 1327 N MET A 85 -6.135 6.481 -9.835 1.00 0.41 N ATOM 1328 CA MET A 85 -6.571 5.096 -10.009 1.00 0.43 C ATOM 1329 C MET A 85 -6.483 4.273 -8.721 1.00 0.43 C ATOM 1330 O MET A 85 -7.393 3.497 -8.462 1.00 0.51 O ATOM 1331 CB MET A 85 -5.818 4.421 -11.168 1.00 0.56 C ATOM 1332 CG MET A 85 -6.789 3.563 -11.986 1.00 1.41 C ATOM 1333 SD MET A 85 -6.041 2.739 -13.416 1.00 2.04 S ATOM 1334 CE MET A 85 -6.898 3.599 -14.764 1.00 2.27 C ATOM 0 H MET A 85 -5.196 6.680 -10.179 1.00 0.41 H new ATOM 0 HA MET A 85 -7.629 5.133 -10.268 1.00 0.43 H new ATOM 0 HB2 MET A 85 -5.360 5.177 -11.806 1.00 0.56 H new ATOM 0 HB3 MET A 85 -5.011 3.801 -10.778 1.00 0.56 H new ATOM 0 HG2 MET A 85 -7.224 2.806 -11.333 1.00 1.41 H new ATOM 0 HG3 MET A 85 -7.608 4.194 -12.333 1.00 1.41 H new ATOM 0 HE1 MET A 85 -6.552 3.210 -15.722 1.00 2.27 H new ATOM 0 HE2 MET A 85 -7.972 3.438 -14.673 1.00 2.27 H new ATOM 0 HE3 MET A 85 -6.685 4.667 -14.708 1.00 2.27 H new ATOM 1344 N LEU A 86 -5.451 4.458 -7.892 1.00 0.38 N ATOM 1345 CA LEU A 86 -5.295 3.824 -6.581 1.00 0.42 C ATOM 1346 C LEU A 86 -6.454 4.173 -5.642 1.00 0.44 C ATOM 1347 O LEU A 86 -6.940 3.287 -4.948 1.00 0.57 O ATOM 1348 CB LEU A 86 -3.928 4.212 -5.983 1.00 0.47 C ATOM 1349 CG LEU A 86 -3.699 3.785 -4.519 1.00 0.76 C ATOM 1350 CD1 LEU A 86 -3.903 2.286 -4.300 1.00 1.89 C ATOM 1351 CD2 LEU A 86 -2.288 4.177 -4.071 1.00 1.61 C ATOM 0 H LEU A 86 -4.674 5.076 -8.125 1.00 0.38 H new ATOM 0 HA LEU A 86 -5.323 2.742 -6.706 1.00 0.42 H new ATOM 0 HB2 LEU A 86 -3.144 3.772 -6.599 1.00 0.47 H new ATOM 0 HB3 LEU A 86 -3.816 5.294 -6.049 1.00 0.47 H new ATOM 0 HG LEU A 86 -4.445 4.307 -3.920 1.00 0.76 H new ATOM 0 HD11 LEU A 86 -3.728 2.044 -3.252 1.00 1.89 H new ATOM 0 HD12 LEU A 86 -4.924 2.014 -4.570 1.00 1.89 H new ATOM 0 HD13 LEU A 86 -3.203 1.729 -4.922 1.00 1.89 H new ATOM 0 HD21 LEU A 86 -2.137 3.871 -3.036 1.00 1.61 H new ATOM 0 HD22 LEU A 86 -1.554 3.682 -4.707 1.00 1.61 H new ATOM 0 HD23 LEU A 86 -2.168 5.257 -4.151 1.00 1.61 H new ATOM 1363 N MET A 87 -6.938 5.418 -5.631 1.00 0.43 N ATOM 1364 CA MET A 87 -8.134 5.778 -4.872 1.00 0.55 C ATOM 1365 C MET A 87 -9.327 4.897 -5.288 1.00 0.54 C ATOM 1366 O MET A 87 -9.863 4.164 -4.457 1.00 0.61 O ATOM 1367 CB MET A 87 -8.380 7.290 -5.004 1.00 0.69 C ATOM 1368 CG MET A 87 -9.552 7.766 -4.143 1.00 1.07 C ATOM 1369 SD MET A 87 -11.091 8.078 -5.045 1.00 2.22 S ATOM 1370 CE MET A 87 -10.825 9.820 -5.477 1.00 2.14 C ATOM 0 H MET A 87 -6.517 6.194 -6.141 1.00 0.43 H new ATOM 0 HA MET A 87 -7.993 5.578 -3.810 1.00 0.55 H new ATOM 0 HB2 MET A 87 -7.478 7.829 -4.715 1.00 0.69 H new ATOM 0 HB3 MET A 87 -8.577 7.534 -6.048 1.00 0.69 H new ATOM 0 HG2 MET A 87 -9.745 7.018 -3.374 1.00 1.07 H new ATOM 0 HG3 MET A 87 -9.258 8.682 -3.630 1.00 1.07 H new ATOM 0 HE1 MET A 87 -11.680 10.189 -6.043 1.00 2.14 H new ATOM 0 HE2 MET A 87 -10.711 10.408 -4.566 1.00 2.14 H new ATOM 0 HE3 MET A 87 -9.923 9.911 -6.082 1.00 2.14 H new ATOM 1380 N ALA A 88 -9.683 4.895 -6.580 1.00 0.51 N ATOM 1381 CA ALA A 88 -10.804 4.127 -7.130 1.00 0.54 C ATOM 1382 C ALA A 88 -10.634 2.591 -7.064 1.00 0.52 C ATOM 1383 O ALA A 88 -11.584 1.872 -6.763 1.00 0.59 O ATOM 1384 CB ALA A 88 -11.007 4.582 -8.581 1.00 0.61 C ATOM 0 H ALA A 88 -9.188 5.440 -7.286 1.00 0.51 H new ATOM 0 HA ALA A 88 -11.677 4.330 -6.509 1.00 0.54 H new ATOM 0 HB1 ALA A 88 -11.836 4.029 -9.023 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -11.231 5.649 -8.600 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -10.099 4.392 -9.152 1.00 0.61 H new ATOM 1390 N ALA A 89 -9.450 2.067 -7.399 1.00 0.49 N ATOM 1391 CA ALA A 89 -9.146 0.635 -7.451 1.00 0.49 C ATOM 1392 C ALA A 89 -8.759 0.044 -6.093 1.00 0.42 C ATOM 1393 O ALA A 89 -8.979 -1.141 -5.864 1.00 0.58 O ATOM 1394 CB ALA A 89 -7.996 0.399 -8.435 1.00 0.65 C ATOM 0 H ALA A 89 -8.651 2.649 -7.650 1.00 0.49 H new ATOM 0 HA ALA A 89 -10.059 0.133 -7.772 1.00 0.49 H new ATOM 0 HB1 ALA A 89 -7.766 -0.666 -8.477 1.00 0.65 H new ATOM 0 HB2 ALA A 89 -8.288 0.747 -9.426 1.00 0.65 H new ATOM 0 HB3 ALA A 89 -7.115 0.948 -8.103 1.00 0.65 H new ATOM 1400 N GLY A 90 -8.176 0.845 -5.201 1.00 0.43 N ATOM 1401 CA GLY A 90 -7.855 0.450 -3.839 1.00 0.45 C ATOM 1402 C GLY A 90 -9.116 0.279 -3.001 1.00 0.40 C ATOM 1403 O GLY A 90 -9.312 -0.756 -2.364 1.00 0.53 O ATOM 0 H GLY A 90 -7.910 1.806 -5.415 1.00 0.43 H new ATOM 0 HA2 GLY A 90 -7.295 -0.485 -3.852 1.00 0.45 H new ATOM 0 HA3 GLY A 90 -7.211 1.202 -3.382 1.00 0.45 H new ATOM 1407 N ASP A 91 -9.986 1.291 -3.013 1.00 0.37 N ATOM 1408 CA ASP A 91 -11.315 1.200 -2.428 1.00 0.40 C ATOM 1409 C ASP A 91 -12.268 0.365 -3.312 1.00 0.44 C ATOM 1410 O ASP A 91 -13.147 0.898 -3.987 1.00 0.57 O ATOM 1411 CB ASP A 91 -11.837 2.603 -2.166 1.00 0.51 C ATOM 1412 CG ASP A 91 -13.278 2.518 -1.702 1.00 0.68 C ATOM 1413 OD1 ASP A 91 -13.583 1.810 -0.710 1.00 0.69 O ATOM 1414 OD2 ASP A 91 -14.105 3.175 -2.352 1.00 1.19 O ATOM 0 H ASP A 91 -9.783 2.198 -3.432 1.00 0.37 H new ATOM 0 HA ASP A 91 -11.259 0.672 -1.476 1.00 0.40 H new ATOM 0 HB2 ASP A 91 -11.227 3.096 -1.409 1.00 0.51 H new ATOM 0 HB3 ASP A 91 -11.769 3.205 -3.072 1.00 0.51 H new ATOM 1419 N LYS A 92 -12.135 -0.969 -3.310 1.00 0.51 N ATOM 1420 CA LYS A 92 -13.075 -1.804 -4.081 1.00 0.67 C ATOM 1421 C LYS A 92 -14.502 -1.860 -3.532 1.00 0.68 C ATOM 1422 O LYS A 92 -15.409 -2.162 -4.305 1.00 1.00 O ATOM 1423 CB LYS A 92 -12.514 -3.209 -4.346 1.00 0.92 C ATOM 1424 CG LYS A 92 -11.750 -3.189 -5.678 1.00 2.33 C ATOM 1425 CD LYS A 92 -12.695 -3.121 -6.892 1.00 3.61 C ATOM 1426 CE LYS A 92 -12.026 -2.346 -8.030 1.00 4.75 C ATOM 1427 NZ LYS A 92 -13.019 -1.924 -9.043 1.00 6.00 N ATOM 0 H LYS A 92 -11.413 -1.482 -2.803 1.00 0.51 H new ATOM 0 HA LYS A 92 -13.169 -1.286 -5.035 1.00 0.67 H new ATOM 0 HB2 LYS A 92 -11.852 -3.511 -3.535 1.00 0.92 H new ATOM 0 HB3 LYS A 92 -13.323 -3.938 -4.385 1.00 0.92 H new ATOM 0 HG2 LYS A 92 -11.077 -2.332 -5.696 1.00 2.33 H new ATOM 0 HG3 LYS A 92 -11.130 -4.082 -5.752 1.00 2.33 H new ATOM 0 HD2 LYS A 92 -12.947 -4.128 -7.225 1.00 3.61 H new ATOM 0 HD3 LYS A 92 -13.629 -2.636 -6.610 1.00 3.61 H new ATOM 0 HE2 LYS A 92 -11.517 -1.470 -7.628 1.00 4.75 H new ATOM 0 HE3 LYS A 92 -11.265 -2.969 -8.500 1.00 4.75 H new ATOM 0 HZ1 LYS A 92 -12.539 -1.401 -9.803 1.00 6.00 H new ATOM 0 HZ2 LYS A 92 -13.486 -2.763 -9.442 1.00 6.00 H new ATOM 0 HZ3 LYS A 92 -13.731 -1.311 -8.597 1.00 6.00 H new ATOM 1441 N ASP A 93 -14.716 -1.522 -2.259 1.00 0.50 N ATOM 1442 CA ASP A 93 -16.057 -1.388 -1.678 1.00 0.65 C ATOM 1443 C ASP A 93 -16.851 -0.198 -2.243 1.00 0.71 C ATOM 1444 O ASP A 93 -18.077 -0.269 -2.296 1.00 0.96 O ATOM 1445 CB ASP A 93 -15.948 -1.187 -0.160 1.00 0.94 C ATOM 1446 CG ASP A 93 -15.837 -2.468 0.670 1.00 0.82 C ATOM 1447 OD1 ASP A 93 -15.990 -3.574 0.112 1.00 1.42 O ATOM 1448 OD2 ASP A 93 -15.561 -2.285 1.876 1.00 1.30 O ATOM 0 H ASP A 93 -13.963 -1.332 -1.598 1.00 0.50 H new ATOM 0 HA ASP A 93 -16.586 -2.306 -1.933 1.00 0.65 H new ATOM 0 HB2 ASP A 93 -15.076 -0.566 0.045 1.00 0.94 H new ATOM 0 HB3 ASP A 93 -16.822 -0.631 0.179 1.00 0.94 H new ATOM 1453 N GLY A 94 -16.181 0.900 -2.622 1.00 0.59 N ATOM 1454 CA GLY A 94 -16.838 2.159 -2.977 1.00 0.70 C ATOM 1455 C GLY A 94 -17.037 3.146 -1.807 1.00 0.68 C ATOM 1456 O GLY A 94 -17.845 4.062 -1.942 1.00 0.89 O ATOM 0 H GLY A 94 -15.164 0.936 -2.690 1.00 0.59 H new ATOM 0 HA2 GLY A 94 -16.250 2.652 -3.752 1.00 0.70 H new ATOM 0 HA3 GLY A 94 -17.812 1.933 -3.411 1.00 0.70 H new ATOM 1460 N ASP A 95 -16.334 2.989 -0.670 1.00 0.52 N ATOM 1461 CA ASP A 95 -16.331 3.963 0.444 1.00 0.58 C ATOM 1462 C ASP A 95 -15.582 5.270 0.117 1.00 0.65 C ATOM 1463 O ASP A 95 -15.954 6.357 0.555 1.00 0.97 O ATOM 1464 CB ASP A 95 -15.581 3.398 1.662 1.00 0.70 C ATOM 1465 CG ASP A 95 -16.117 2.094 2.223 1.00 0.97 C ATOM 1466 OD1 ASP A 95 -17.305 2.039 2.591 1.00 1.87 O ATOM 1467 OD2 ASP A 95 -15.268 1.173 2.336 1.00 1.03 O ATOM 0 H ASP A 95 -15.745 2.175 -0.494 1.00 0.52 H new ATOM 0 HA ASP A 95 -17.387 4.156 0.632 1.00 0.58 H new ATOM 0 HB2 ASP A 95 -14.537 3.250 1.385 1.00 0.70 H new ATOM 0 HB3 ASP A 95 -15.598 4.146 2.454 1.00 0.70 H new ATOM 1472 N GLY A 96 -14.443 5.108 -0.556 1.00 0.62 N ATOM 1473 CA GLY A 96 -13.397 6.051 -0.932 1.00 0.69 C ATOM 1474 C GLY A 96 -12.068 5.884 -0.188 1.00 0.55 C ATOM 1475 O GLY A 96 -11.124 6.609 -0.494 1.00 0.73 O ATOM 0 H GLY A 96 -14.203 4.177 -0.897 1.00 0.62 H new ATOM 0 HA2 GLY A 96 -13.211 5.954 -2.002 1.00 0.69 H new ATOM 0 HA3 GLY A 96 -13.765 7.063 -0.763 1.00 0.69 H new ATOM 1479 N LYS A 97 -11.963 4.928 0.749 1.00 0.36 N ATOM 1480 CA LYS A 97 -10.714 4.602 1.450 1.00 0.36 C ATOM 1481 C LYS A 97 -10.333 3.136 1.293 1.00 0.34 C ATOM 1482 O LYS A 97 -11.171 2.230 1.411 1.00 0.40 O ATOM 1483 CB LYS A 97 -10.791 4.942 2.943 1.00 0.56 C ATOM 1484 CG LYS A 97 -10.924 6.449 3.181 1.00 0.62 C ATOM 1485 CD LYS A 97 -12.361 6.939 3.400 1.00 0.82 C ATOM 1486 CE LYS A 97 -12.577 7.315 4.873 1.00 1.64 C ATOM 1487 NZ LYS A 97 -14.013 7.468 5.189 1.00 2.27 N ATOM 0 H LYS A 97 -12.753 4.354 1.043 1.00 0.36 H new ATOM 0 HA LYS A 97 -9.944 5.217 0.984 1.00 0.36 H new ATOM 0 HB2 LYS A 97 -11.643 4.428 3.389 1.00 0.56 H new ATOM 0 HB3 LYS A 97 -9.897 4.573 3.446 1.00 0.56 H new ATOM 0 HG2 LYS A 97 -10.326 6.720 4.051 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -10.501 6.977 2.326 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -12.559 7.802 2.764 1.00 0.82 H new ATOM 0 HD3 LYS A 97 -13.066 6.160 3.109 1.00 0.82 H new ATOM 0 HE2 LYS A 97 -12.143 6.547 5.513 1.00 1.64 H new ATOM 0 HE3 LYS A 97 -12.054 8.246 5.092 1.00 1.64 H new ATOM 0 HZ1 LYS A 97 -14.123 7.722 6.192 1.00 2.27 H new ATOM 0 HZ2 LYS A 97 -14.421 8.218 4.595 1.00 2.27 H new ATOM 0 HZ3 LYS A 97 -14.507 6.572 5.003 1.00 2.27 H new ATOM 1501 N ILE A 98 -9.025 2.929 1.129 1.00 0.35 N ATOM 1502 CA ILE A 98 -8.382 1.625 1.278 1.00 0.36 C ATOM 1503 C ILE A 98 -8.572 1.202 2.727 1.00 0.35 C ATOM 1504 O ILE A 98 -8.159 1.912 3.643 1.00 0.37 O ATOM 1505 CB ILE A 98 -6.904 1.680 0.829 1.00 0.37 C ATOM 1506 CG1 ILE A 98 -6.947 1.757 -0.703 1.00 0.43 C ATOM 1507 CG2 ILE A 98 -6.041 0.491 1.300 1.00 0.41 C ATOM 1508 CD1 ILE A 98 -5.601 1.977 -1.373 1.00 0.44 C ATOM 0 H ILE A 98 -8.374 3.675 0.885 1.00 0.35 H new ATOM 0 HA ILE A 98 -8.834 0.874 0.631 1.00 0.36 H new ATOM 0 HB ILE A 98 -6.420 2.542 1.288 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -7.380 0.833 -1.086 1.00 0.43 H new ATOM 0 HG13 ILE A 98 -7.617 2.567 -0.992 1.00 0.43 H new ATOM 0 HG21 ILE A 98 -5.021 0.616 0.938 1.00 0.41 H new ATOM 0 HG22 ILE A 98 -6.037 0.453 2.389 1.00 0.41 H new ATOM 0 HG23 ILE A 98 -6.455 -0.437 0.906 1.00 0.41 H new ATOM 0 HD11 ILE A 98 -5.735 2.017 -2.454 1.00 0.44 H new ATOM 0 HD12 ILE A 98 -5.171 2.916 -1.025 1.00 0.44 H new ATOM 0 HD13 ILE A 98 -4.930 1.156 -1.121 1.00 0.44 H new ATOM 1520 N GLY A 99 -9.265 0.077 2.885 1.00 0.33 N ATOM 1521 CA GLY A 99 -9.450 -0.674 4.117 1.00 0.34 C ATOM 1522 C GLY A 99 -8.629 -1.958 4.048 1.00 0.32 C ATOM 1523 O GLY A 99 -8.614 -2.636 3.021 1.00 0.42 O ATOM 0 H GLY A 99 -9.744 -0.362 2.099 1.00 0.33 H new ATOM 0 HA2 GLY A 99 -9.139 -0.075 4.973 1.00 0.34 H new ATOM 0 HA3 GLY A 99 -10.505 -0.909 4.259 1.00 0.34 H new ATOM 1527 N VAL A 100 -7.944 -2.284 5.144 1.00 0.36 N ATOM 1528 CA VAL A 100 -7.033 -3.429 5.253 1.00 0.38 C ATOM 1529 C VAL A 100 -7.600 -4.757 4.764 1.00 0.34 C ATOM 1530 O VAL A 100 -6.917 -5.481 4.043 1.00 0.44 O ATOM 1531 CB VAL A 100 -6.543 -3.563 6.699 1.00 0.56 C ATOM 1532 CG1 VAL A 100 -7.595 -3.837 7.785 1.00 0.63 C ATOM 1533 CG2 VAL A 100 -5.420 -4.579 6.791 1.00 0.79 C ATOM 0 H VAL A 100 -8.008 -1.744 6.007 1.00 0.36 H new ATOM 0 HA VAL A 100 -6.205 -3.210 4.579 1.00 0.38 H new ATOM 0 HB VAL A 100 -6.194 -2.557 6.932 1.00 0.56 H new ATOM 0 HG11 VAL A 100 -7.105 -3.907 8.756 1.00 0.63 H new ATOM 0 HG12 VAL A 100 -8.320 -3.024 7.802 1.00 0.63 H new ATOM 0 HG13 VAL A 100 -8.107 -4.775 7.568 1.00 0.63 H new ATOM 0 HG21 VAL A 100 -5.086 -4.660 7.825 1.00 0.79 H new ATOM 0 HG22 VAL A 100 -5.779 -5.550 6.449 1.00 0.79 H new ATOM 0 HG23 VAL A 100 -4.587 -4.259 6.165 1.00 0.79 H new ATOM 1543 N ASP A 101 -8.832 -5.067 5.169 1.00 0.43 N ATOM 1544 CA ASP A 101 -9.500 -6.336 4.901 1.00 0.61 C ATOM 1545 C ASP A 101 -9.689 -6.560 3.396 1.00 0.59 C ATOM 1546 O ASP A 101 -9.299 -7.610 2.889 1.00 0.78 O ATOM 1547 CB ASP A 101 -10.824 -6.362 5.668 1.00 0.75 C ATOM 1548 CG ASP A 101 -11.345 -7.791 5.800 1.00 1.02 C ATOM 1549 OD1 ASP A 101 -10.852 -8.481 6.720 1.00 1.85 O ATOM 1550 OD2 ASP A 101 -12.213 -8.171 4.985 1.00 1.86 O ATOM 0 H ASP A 101 -9.408 -4.421 5.709 1.00 0.43 H new ATOM 0 HA ASP A 101 -8.880 -7.162 5.248 1.00 0.61 H new ATOM 0 HB2 ASP A 101 -10.685 -5.928 6.658 1.00 0.75 H new ATOM 0 HB3 ASP A 101 -11.561 -5.747 5.151 1.00 0.75 H new ATOM 1555 N GLU A 102 -10.168 -5.536 2.667 1.00 0.50 N ATOM 1556 CA GLU A 102 -10.066 -5.505 1.209 1.00 0.64 C ATOM 1557 C GLU A 102 -8.608 -5.622 0.793 1.00 0.73 C ATOM 1558 O GLU A 102 -8.254 -6.589 0.135 1.00 0.98 O ATOM 1559 CB GLU A 102 -10.623 -4.213 0.599 1.00 0.78 C ATOM 1560 CG GLU A 102 -12.140 -4.054 0.706 1.00 1.19 C ATOM 1561 CD GLU A 102 -12.429 -2.778 1.493 1.00 1.22 C ATOM 1562 OE1 GLU A 102 -12.236 -2.771 2.728 1.00 2.15 O ATOM 1563 OE2 GLU A 102 -12.709 -1.719 0.866 1.00 1.29 O ATOM 0 H GLU A 102 -10.629 -4.721 3.071 1.00 0.50 H new ATOM 0 HA GLU A 102 -10.658 -6.343 0.842 1.00 0.64 H new ATOM 0 HB2 GLU A 102 -10.148 -3.363 1.088 1.00 0.78 H new ATOM 0 HB3 GLU A 102 -10.341 -4.174 -0.453 1.00 0.78 H new ATOM 0 HG2 GLU A 102 -12.588 -3.999 -0.286 1.00 1.19 H new ATOM 0 HG3 GLU A 102 -12.579 -4.917 1.206 1.00 1.19 H new ATOM 1570 N PHE A 103 -7.771 -4.638 1.146 1.00 0.57 N ATOM 1571 CA PHE A 103 -6.437 -4.438 0.583 1.00 0.59 C ATOM 1572 C PHE A 103 -5.548 -5.690 0.645 1.00 0.59 C ATOM 1573 O PHE A 103 -4.768 -5.920 -0.272 1.00 0.65 O ATOM 1574 CB PHE A 103 -5.802 -3.230 1.275 1.00 0.68 C ATOM 1575 CG PHE A 103 -4.720 -2.524 0.484 1.00 0.62 C ATOM 1576 CD1 PHE A 103 -4.958 -2.055 -0.826 1.00 2.14 C ATOM 1577 CD2 PHE A 103 -3.494 -2.242 1.103 1.00 1.44 C ATOM 1578 CE1 PHE A 103 -3.961 -1.345 -1.518 1.00 2.62 C ATOM 1579 CE2 PHE A 103 -2.501 -1.545 0.404 1.00 1.83 C ATOM 1580 CZ PHE A 103 -2.722 -1.097 -0.908 1.00 1.99 C ATOM 0 H PHE A 103 -8.013 -3.942 1.851 1.00 0.57 H new ATOM 0 HA PHE A 103 -6.535 -4.241 -0.485 1.00 0.59 H new ATOM 0 HB2 PHE A 103 -6.587 -2.511 1.506 1.00 0.68 H new ATOM 0 HB3 PHE A 103 -5.379 -3.557 2.225 1.00 0.68 H new ATOM 0 HD1 PHE A 103 -5.911 -2.242 -1.299 1.00 2.14 H new ATOM 0 HD2 PHE A 103 -3.316 -2.562 2.119 1.00 1.44 H new ATOM 0 HE1 PHE A 103 -4.149 -0.990 -2.520 1.00 2.62 H new ATOM 0 HE2 PHE A 103 -1.552 -1.349 0.881 1.00 1.83 H new ATOM 0 HZ PHE A 103 -1.947 -0.567 -1.442 1.00 1.99 H new ATOM 1590 N SER A 104 -5.752 -6.533 1.665 1.00 0.58 N ATOM 1591 CA SER A 104 -5.265 -7.908 1.824 1.00 0.66 C ATOM 1592 C SER A 104 -5.515 -8.832 0.630 1.00 0.71 C ATOM 1593 O SER A 104 -4.604 -9.518 0.165 1.00 0.97 O ATOM 1594 CB SER A 104 -6.011 -8.522 3.014 1.00 0.67 C ATOM 1595 OG SER A 104 -5.388 -9.725 3.414 1.00 1.05 O ATOM 0 H SER A 104 -6.310 -6.245 2.469 1.00 0.58 H new ATOM 0 HA SER A 104 -4.185 -7.834 1.948 1.00 0.66 H new ATOM 0 HB2 SER A 104 -6.025 -7.818 3.846 1.00 0.67 H new ATOM 0 HB3 SER A 104 -7.049 -8.715 2.742 1.00 0.67 H new ATOM 0 HG SER A 104 -5.872 -10.107 4.176 1.00 1.05 H new ATOM 1601 N THR A 105 -6.766 -8.900 0.169 1.00 0.70 N ATOM 1602 CA THR A 105 -7.262 -9.832 -0.844 1.00 0.79 C ATOM 1603 C THR A 105 -7.448 -9.151 -2.203 1.00 0.74 C ATOM 1604 O THR A 105 -7.378 -9.812 -3.234 1.00 0.72 O ATOM 1605 CB THR A 105 -8.585 -10.462 -0.385 1.00 0.93 C ATOM 1606 OG1 THR A 105 -9.618 -9.509 -0.413 1.00 0.99 O ATOM 1607 CG2 THR A 105 -8.535 -11.049 1.031 1.00 0.74 C ATOM 0 H THR A 105 -7.496 -8.275 0.510 1.00 0.70 H new ATOM 0 HA THR A 105 -6.512 -10.614 -0.965 1.00 0.79 H new ATOM 0 HB THR A 105 -8.769 -11.278 -1.084 1.00 0.93 H new ATOM 0 HG1 THR A 105 -9.236 -8.610 -0.330 1.00 0.99 H new ATOM 0 HG21 THR A 105 -9.506 -11.475 1.283 1.00 0.74 H new ATOM 0 HG22 THR A 105 -7.774 -11.828 1.075 1.00 0.74 H new ATOM 0 HG23 THR A 105 -8.289 -10.261 1.743 1.00 0.74 H new ATOM 1615 N LEU A 106 -7.546 -7.819 -2.226 1.00 0.73 N ATOM 1616 CA LEU A 106 -7.531 -6.917 -3.381 1.00 0.69 C ATOM 1617 C LEU A 106 -6.392 -7.278 -4.349 1.00 0.59 C ATOM 1618 O LEU A 106 -6.543 -7.327 -5.566 1.00 0.69 O ATOM 1619 CB LEU A 106 -7.352 -5.502 -2.781 1.00 0.81 C ATOM 1620 CG LEU A 106 -7.736 -4.272 -3.600 1.00 0.95 C ATOM 1621 CD1 LEU A 106 -6.980 -4.172 -4.913 1.00 1.29 C ATOM 1622 CD2 LEU A 106 -9.232 -4.249 -3.835 1.00 2.29 C ATOM 0 H LEU A 106 -7.647 -7.296 -1.356 1.00 0.73 H new ATOM 0 HA LEU A 106 -8.445 -6.986 -3.971 1.00 0.69 H new ATOM 0 HB2 LEU A 106 -7.926 -5.467 -1.855 1.00 0.81 H new ATOM 0 HB3 LEU A 106 -6.302 -5.396 -2.509 1.00 0.81 H new ATOM 0 HG LEU A 106 -7.448 -3.397 -3.016 1.00 0.95 H new ATOM 0 HD11 LEU A 106 -7.298 -3.277 -5.448 1.00 1.29 H new ATOM 0 HD12 LEU A 106 -5.910 -4.115 -4.713 1.00 1.29 H new ATOM 0 HD13 LEU A 106 -7.189 -5.052 -5.521 1.00 1.29 H new ATOM 0 HD21 LEU A 106 -9.495 -3.368 -4.420 1.00 2.29 H new ATOM 0 HD22 LEU A 106 -9.529 -5.147 -4.378 1.00 2.29 H new ATOM 0 HD23 LEU A 106 -9.750 -4.216 -2.877 1.00 2.29 H new ATOM 1634 N VAL A 107 -5.229 -7.561 -3.772 1.00 0.53 N ATOM 1635 CA VAL A 107 -3.981 -7.950 -4.434 1.00 0.58 C ATOM 1636 C VAL A 107 -3.850 -9.444 -4.769 1.00 0.66 C ATOM 1637 O VAL A 107 -2.915 -9.850 -5.464 1.00 0.80 O ATOM 1638 CB VAL A 107 -2.844 -7.549 -3.498 1.00 0.61 C ATOM 1639 CG1 VAL A 107 -2.755 -6.018 -3.438 1.00 0.59 C ATOM 1640 CG2 VAL A 107 -2.992 -8.160 -2.106 1.00 0.72 C ATOM 0 H VAL A 107 -5.122 -7.523 -2.758 1.00 0.53 H new ATOM 0 HA VAL A 107 -3.956 -7.444 -5.399 1.00 0.58 H new ATOM 0 HB VAL A 107 -1.912 -7.947 -3.899 1.00 0.61 H new ATOM 0 HG11 VAL A 107 -1.944 -5.727 -2.770 1.00 0.59 H new ATOM 0 HG12 VAL A 107 -2.562 -5.625 -4.436 1.00 0.59 H new ATOM 0 HG13 VAL A 107 -3.696 -5.613 -3.064 1.00 0.59 H new ATOM 0 HG21 VAL A 107 -2.158 -7.844 -1.479 1.00 0.72 H new ATOM 0 HG22 VAL A 107 -3.929 -7.826 -1.660 1.00 0.72 H new ATOM 0 HG23 VAL A 107 -2.995 -9.247 -2.184 1.00 0.72 H new ATOM 1650 N ALA A 108 -4.780 -10.257 -4.267 1.00 0.61 N ATOM 1651 CA ALA A 108 -4.976 -11.670 -4.590 1.00 0.72 C ATOM 1652 C ALA A 108 -5.939 -11.789 -5.775 1.00 0.79 C ATOM 1653 O ALA A 108 -5.636 -12.480 -6.742 1.00 0.94 O ATOM 1654 CB ALA A 108 -5.502 -12.422 -3.353 1.00 0.75 C ATOM 0 H ALA A 108 -5.459 -9.925 -3.581 1.00 0.61 H new ATOM 0 HA ALA A 108 -4.027 -12.124 -4.874 1.00 0.72 H new ATOM 0 HB1 ALA A 108 -5.646 -13.474 -3.600 1.00 0.75 H new ATOM 0 HB2 ALA A 108 -4.780 -12.336 -2.541 1.00 0.75 H new ATOM 0 HB3 ALA A 108 -6.453 -11.989 -3.041 1.00 0.75 H new ATOM 1660 N GLU A 109 -7.033 -11.020 -5.728 1.00 0.84 N ATOM 1661 CA GLU A 109 -7.916 -10.699 -6.855 1.00 1.02 C ATOM 1662 C GLU A 109 -7.189 -9.936 -7.970 1.00 1.13 C ATOM 1663 O GLU A 109 -7.672 -9.890 -9.099 1.00 1.38 O ATOM 1664 CB GLU A 109 -9.068 -9.815 -6.344 1.00 1.38 C ATOM 1665 CG GLU A 109 -10.066 -10.550 -5.439 1.00 1.93 C ATOM 1666 CD GLU A 109 -11.145 -11.276 -6.251 1.00 2.74 C ATOM 1667 OE1 GLU A 109 -10.765 -12.052 -7.156 1.00 4.02 O ATOM 1668 OE2 GLU A 109 -12.339 -11.041 -5.958 1.00 3.20 O ATOM 0 H GLU A 109 -7.342 -10.583 -4.860 1.00 0.84 H new ATOM 0 HA GLU A 109 -8.278 -11.641 -7.267 1.00 1.02 H new ATOM 0 HB2 GLU A 109 -8.649 -8.972 -5.795 1.00 1.38 H new ATOM 0 HB3 GLU A 109 -9.604 -9.404 -7.200 1.00 1.38 H new ATOM 0 HG2 GLU A 109 -9.532 -11.270 -4.819 1.00 1.93 H new ATOM 0 HG3 GLU A 109 -10.538 -9.836 -4.764 1.00 1.93 H new ATOM 1675 N SER A 110 -6.029 -9.340 -7.657 1.00 1.14 N ATOM 1676 CA SER A 110 -5.165 -8.600 -8.565 1.00 1.50 C ATOM 1677 C SER A 110 -5.925 -7.679 -9.512 1.00 2.06 C ATOM 1678 O SER A 110 -5.451 -6.561 -9.736 1.00 2.50 O ATOM 1679 CB SER A 110 -4.246 -9.559 -9.324 1.00 1.57 C ATOM 1680 OG SER A 110 -4.910 -10.199 -10.390 1.00 1.84 O ATOM 0 H SER A 110 -5.655 -9.368 -6.708 1.00 1.14 H new ATOM 0 HA SER A 110 -4.553 -7.939 -7.951 1.00 1.50 H new ATOM 0 HB2 SER A 110 -3.388 -9.008 -9.710 1.00 1.57 H new ATOM 0 HB3 SER A 110 -3.859 -10.310 -8.636 1.00 1.57 H new ATOM 0 HG SER A 110 -5.870 -10.244 -10.197 1.00 1.84 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -13.595 0.012 1.741 1.00 0.61 CA HETATM 1688 CA CA A 112 -6.203 8.425 7.121 1.00 0.76 CA