USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot -130:sc= 0.649 USER MOD Set 1.2: A 78 GLN : amide:sc= -3.07! C(o=-2.4!,f=-3.2!) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.199 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -132:sc= 0.324 (180deg=0.0394) USER MOD Set 3.1: A 32 CYS SG : rot -148:sc= -2.31! USER MOD Set 3.2: A 35 CYS SG : rot 119:sc= 0.764! USER MOD Set 3.3: A 74 THR OG1 : rot 180:sc= 0.0172 USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 3 LYS NZ :NH3+ -119:sc= -0.57 (180deg=-1.85) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.237 (180deg=-1.44!) USER MOD Single : A 4 GLN : amide:sc= -0.0823 X(o=-0.082,f=-0.007) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -142:sc= -0.0735 (180deg=-0.454) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.18! C(o=-2.2!,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -12:sc= 0.0715 USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -0.501 (180deg=-2.42!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.156 K(o=0.16,f=-4.2!) USER MOD Single : A 44 SER OG : rot 116:sc= 0.0322 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -111:sc= 0.433 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.913 K(o=-0.91,f=-0.41) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.0636 USER MOD Single : A 63 GLN : amide:sc= -4.7! C(o=-4.7!,f=-5.3!) USER MOD Single : A 67 SER OG : rot -28:sc= 0.24 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= -0.27 (180deg=-0.912) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.228 USER MOD Single : A 76 THR OG1 : rot 104:sc= 0.779 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -5.43! K(o=-5.4!,f=-0.45) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 74:sc= -0.761 USER MOD Single : A 102 ASN : amide:sc= -2.43! C(o=-2.4!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.491 -2.365 7.514 1.00 2.02 N ATOM 2 CA MET A 1 -6.609 -2.111 8.690 1.00 1.41 C ATOM 3 C MET A 1 -5.165 -1.929 8.216 1.00 1.02 C ATOM 4 O MET A 1 -4.534 -2.863 7.763 1.00 0.98 O ATOM 5 CB MET A 1 -6.671 -3.278 9.678 1.00 1.74 C ATOM 6 CG MET A 1 -6.668 -4.600 8.903 1.00 3.68 C ATOM 7 SD MET A 1 -5.695 -5.964 9.588 1.00 4.68 S ATOM 8 CE MET A 1 -5.534 -6.917 8.059 1.00 6.76 C ATOM 0 H1 MET A 1 -8.310 -2.934 7.811 1.00 2.02 H new ATOM 0 H2 MET A 1 -7.821 -1.459 7.126 1.00 2.02 H new ATOM 0 H3 MET A 1 -6.958 -2.880 6.785 1.00 2.02 H new ATOM 0 HA MET A 1 -6.955 -1.208 9.192 1.00 1.41 H new ATOM 0 HB2 MET A 1 -5.819 -3.240 10.357 1.00 1.74 H new ATOM 0 HB3 MET A 1 -7.570 -3.204 10.290 1.00 1.74 H new ATOM 0 HG2 MET A 1 -7.700 -4.937 8.808 1.00 3.68 H new ATOM 0 HG3 MET A 1 -6.304 -4.399 7.895 1.00 3.68 H new ATOM 0 HE1 MET A 1 -4.956 -7.821 8.253 1.00 6.76 H new ATOM 0 HE2 MET A 1 -6.524 -7.190 7.695 1.00 6.76 H new ATOM 0 HE3 MET A 1 -5.024 -6.315 7.307 1.00 6.76 H new ATOM 20 N VAL A 2 -4.671 -0.727 8.332 1.00 0.79 N ATOM 21 CA VAL A 2 -3.271 -0.469 7.894 1.00 0.40 C ATOM 22 C VAL A 2 -2.299 -1.360 8.672 1.00 0.25 C ATOM 23 O VAL A 2 -2.312 -1.385 9.887 1.00 0.26 O ATOM 24 CB VAL A 2 -2.934 0.998 8.137 1.00 0.46 C ATOM 25 CG1 VAL A 2 -1.487 1.251 7.726 1.00 0.38 C ATOM 26 CG2 VAL A 2 -3.857 1.871 7.284 1.00 0.62 C ATOM 0 H VAL A 2 -5.170 0.080 8.707 1.00 0.79 H new ATOM 0 HA VAL A 2 -3.178 -0.698 6.832 1.00 0.40 H new ATOM 0 HB VAL A 2 -3.067 1.239 9.192 1.00 0.46 H new ATOM 0 HG11 VAL A 2 -1.238 2.298 7.897 1.00 0.38 H new ATOM 0 HG12 VAL A 2 -0.825 0.619 8.318 1.00 0.38 H new ATOM 0 HG13 VAL A 2 -1.363 1.016 6.669 1.00 0.38 H new ATOM 0 HG21 VAL A 2 -3.622 2.922 7.452 1.00 0.62 H new ATOM 0 HG22 VAL A 2 -3.713 1.631 6.230 1.00 0.62 H new ATOM 0 HG23 VAL A 2 -4.894 1.682 7.561 1.00 0.62 H new ATOM 36 N LYS A 3 -1.478 -2.075 7.944 1.00 0.20 N ATOM 37 CA LYS A 3 -0.491 -2.984 8.606 1.00 0.14 C ATOM 38 C LYS A 3 0.911 -2.747 8.030 1.00 0.13 C ATOM 39 O LYS A 3 1.053 -2.254 6.928 1.00 0.15 O ATOM 40 CB LYS A 3 -0.908 -4.434 8.355 1.00 0.24 C ATOM 41 CG LYS A 3 -0.018 -5.367 9.177 1.00 0.25 C ATOM 42 CD LYS A 3 -0.608 -6.781 9.142 1.00 0.41 C ATOM 43 CE LYS A 3 -0.642 -7.284 7.695 1.00 1.90 C ATOM 44 NZ LYS A 3 -1.954 -6.967 7.063 1.00 3.12 N ATOM 0 H LYS A 3 -1.448 -2.069 6.924 1.00 0.20 H new ATOM 0 HA LYS A 3 -0.471 -2.781 9.677 1.00 0.14 H new ATOM 0 HB2 LYS A 3 -1.954 -4.576 8.629 1.00 0.24 H new ATOM 0 HB3 LYS A 3 -0.821 -4.671 7.295 1.00 0.24 H new ATOM 0 HG2 LYS A 3 0.995 -5.372 8.774 1.00 0.25 H new ATOM 0 HG3 LYS A 3 0.050 -5.013 10.206 1.00 0.25 H new ATOM 0 HD2 LYS A 3 -0.009 -7.452 9.758 1.00 0.41 H new ATOM 0 HD3 LYS A 3 -1.614 -6.777 9.561 1.00 0.41 H new ATOM 0 HE2 LYS A 3 0.164 -6.823 7.124 1.00 1.90 H new ATOM 0 HE3 LYS A 3 -0.472 -8.360 7.674 1.00 1.90 H new ATOM 0 HZ1 LYS A 3 -2.426 -7.850 6.781 1.00 3.12 H new ATOM 0 HZ2 LYS A 3 -2.553 -6.457 7.743 1.00 3.12 H new ATOM 0 HZ3 LYS A 3 -1.800 -6.373 6.223 1.00 3.12 H new ATOM 58 N GLN A 4 1.914 -3.107 8.791 1.00 0.23 N ATOM 59 CA GLN A 4 3.319 -2.912 8.311 1.00 0.23 C ATOM 60 C GLN A 4 3.951 -4.260 7.943 1.00 0.23 C ATOM 61 O GLN A 4 3.729 -5.255 8.605 1.00 0.32 O ATOM 62 CB GLN A 4 4.137 -2.258 9.424 1.00 0.27 C ATOM 63 CG GLN A 4 5.582 -2.089 8.951 1.00 0.37 C ATOM 64 CD GLN A 4 6.250 -0.967 9.749 1.00 0.34 C ATOM 65 OE1 GLN A 4 7.243 -1.172 10.419 1.00 1.29 O ATOM 66 NE2 GLN A 4 5.737 0.232 9.707 1.00 0.84 N ATOM 0 H GLN A 4 1.824 -3.525 9.717 1.00 0.23 H new ATOM 0 HA GLN A 4 3.309 -2.276 7.426 1.00 0.23 H new ATOM 0 HB2 GLN A 4 3.711 -1.289 9.684 1.00 0.27 H new ATOM 0 HB3 GLN A 4 4.105 -2.872 10.324 1.00 0.27 H new ATOM 0 HG2 GLN A 4 6.131 -3.021 9.084 1.00 0.37 H new ATOM 0 HG3 GLN A 4 5.603 -1.855 7.887 1.00 0.37 H new ATOM 0 HE21 GLN A 4 4.904 0.411 9.147 1.00 0.84 H new ATOM 0 HE22 GLN A 4 6.169 0.990 10.235 1.00 0.84 H new ATOM 75 N ILE A 5 4.728 -4.260 6.891 1.00 0.18 N ATOM 76 CA ILE A 5 5.389 -5.531 6.462 1.00 0.17 C ATOM 77 C ILE A 5 6.830 -5.570 6.992 1.00 0.20 C ATOM 78 O ILE A 5 7.271 -4.654 7.655 1.00 0.28 O ATOM 79 CB ILE A 5 5.404 -5.590 4.927 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.983 -5.319 4.388 1.00 0.11 C ATOM 81 CG2 ILE A 5 5.898 -6.974 4.455 1.00 0.11 C ATOM 82 CD1 ILE A 5 2.976 -6.283 5.035 1.00 0.12 C ATOM 0 H ILE A 5 4.933 -3.444 6.314 1.00 0.18 H new ATOM 0 HA ILE A 5 4.840 -6.384 6.861 1.00 0.17 H new ATOM 0 HB ILE A 5 6.084 -4.829 4.543 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.697 -4.288 4.598 1.00 0.11 H new ATOM 0 HG13 ILE A 5 3.968 -5.439 3.305 1.00 0.11 H new ATOM 0 HG21 ILE A 5 5.905 -7.006 3.365 1.00 0.11 H new ATOM 0 HG22 ILE A 5 6.907 -7.147 4.830 1.00 0.11 H new ATOM 0 HG23 ILE A 5 5.232 -7.748 4.836 1.00 0.11 H new ATOM 0 HD11 ILE A 5 1.978 -6.081 4.646 1.00 0.12 H new ATOM 0 HD12 ILE A 5 3.255 -7.311 4.802 1.00 0.12 H new ATOM 0 HD13 ILE A 5 2.980 -6.142 6.116 1.00 0.12 H new ATOM 94 N GLU A 6 7.533 -6.630 6.688 1.00 0.18 N ATOM 95 CA GLU A 6 8.938 -6.733 7.172 1.00 0.19 C ATOM 96 C GLU A 6 9.801 -7.501 6.161 1.00 0.19 C ATOM 97 O GLU A 6 10.931 -7.135 5.904 1.00 0.22 O ATOM 98 CB GLU A 6 8.943 -7.467 8.510 1.00 0.25 C ATOM 99 CG GLU A 6 10.357 -7.969 8.800 1.00 1.52 C ATOM 100 CD GLU A 6 10.531 -8.143 10.310 1.00 1.69 C ATOM 101 OE1 GLU A 6 9.876 -9.032 10.831 1.00 1.37 O ATOM 102 OE2 GLU A 6 11.306 -7.377 10.858 1.00 2.58 O ATOM 0 H GLU A 6 7.199 -7.418 6.133 1.00 0.18 H new ATOM 0 HA GLU A 6 9.353 -5.732 7.289 1.00 0.19 H new ATOM 0 HB2 GLU A 6 8.610 -6.801 9.306 1.00 0.25 H new ATOM 0 HB3 GLU A 6 8.245 -8.304 8.482 1.00 0.25 H new ATOM 0 HG2 GLU A 6 10.531 -8.917 8.291 1.00 1.52 H new ATOM 0 HG3 GLU A 6 11.092 -7.262 8.417 1.00 1.52 H new ATOM 109 N SER A 7 9.250 -8.547 5.608 1.00 0.24 N ATOM 110 CA SER A 7 10.030 -9.344 4.614 1.00 0.22 C ATOM 111 C SER A 7 9.101 -9.900 3.529 1.00 0.24 C ATOM 112 O SER A 7 7.946 -9.532 3.448 1.00 0.18 O ATOM 113 CB SER A 7 10.722 -10.502 5.331 1.00 0.24 C ATOM 114 OG SER A 7 9.654 -11.330 5.764 1.00 0.46 O ATOM 0 H SER A 7 8.306 -8.883 5.797 1.00 0.24 H new ATOM 0 HA SER A 7 10.772 -8.698 4.145 1.00 0.22 H new ATOM 0 HB2 SER A 7 11.396 -11.038 4.663 1.00 0.24 H new ATOM 0 HB3 SER A 7 11.319 -10.150 6.172 1.00 0.24 H new ATOM 0 HG SER A 7 10.015 -12.108 6.238 1.00 0.46 H new ATOM 120 N LYS A 8 9.629 -10.777 2.715 1.00 0.34 N ATOM 121 CA LYS A 8 8.792 -11.368 1.628 1.00 0.37 C ATOM 122 C LYS A 8 7.770 -12.333 2.226 1.00 0.32 C ATOM 123 O LYS A 8 6.583 -12.206 2.005 1.00 0.28 O ATOM 124 CB LYS A 8 9.704 -12.120 0.651 1.00 0.56 C ATOM 125 CG LYS A 8 8.884 -12.609 -0.554 1.00 0.51 C ATOM 126 CD LYS A 8 9.736 -13.573 -1.382 1.00 0.71 C ATOM 127 CE LYS A 8 8.914 -14.076 -2.570 1.00 0.95 C ATOM 128 NZ LYS A 8 7.753 -14.884 -2.099 1.00 2.24 N ATOM 0 H LYS A 8 10.593 -11.107 2.754 1.00 0.34 H new ATOM 0 HA LYS A 8 8.261 -10.575 1.102 1.00 0.37 H new ATOM 0 HB2 LYS A 8 10.509 -11.467 0.314 1.00 0.56 H new ATOM 0 HB3 LYS A 8 10.171 -12.967 1.153 1.00 0.56 H new ATOM 0 HG2 LYS A 8 7.976 -13.107 -0.214 1.00 0.51 H new ATOM 0 HG3 LYS A 8 8.573 -11.762 -1.166 1.00 0.51 H new ATOM 0 HD2 LYS A 8 10.637 -13.071 -1.734 1.00 0.71 H new ATOM 0 HD3 LYS A 8 10.059 -14.412 -0.766 1.00 0.71 H new ATOM 0 HE2 LYS A 8 8.560 -13.230 -3.159 1.00 0.95 H new ATOM 0 HE3 LYS A 8 9.543 -14.680 -3.225 1.00 0.95 H new ATOM 0 HZ1 LYS A 8 7.603 -15.686 -2.744 1.00 2.24 H new ATOM 0 HZ2 LYS A 8 7.945 -15.241 -1.141 1.00 2.24 H new ATOM 0 HZ3 LYS A 8 6.900 -14.289 -2.082 1.00 2.24 H new ATOM 142 N THR A 9 8.260 -13.273 2.968 1.00 0.41 N ATOM 143 CA THR A 9 7.346 -14.264 3.595 1.00 0.43 C ATOM 144 C THR A 9 6.163 -13.546 4.224 1.00 0.31 C ATOM 145 O THR A 9 5.067 -14.062 4.270 1.00 0.40 O ATOM 146 CB THR A 9 8.109 -15.037 4.671 1.00 0.51 C ATOM 147 OG1 THR A 9 9.170 -15.679 3.973 1.00 0.63 O ATOM 148 CG2 THR A 9 7.267 -16.169 5.258 1.00 0.59 C ATOM 0 H THR A 9 9.251 -13.402 3.170 1.00 0.41 H new ATOM 0 HA THR A 9 6.980 -14.955 2.836 1.00 0.43 H new ATOM 0 HB THR A 9 8.409 -14.360 5.470 1.00 0.51 H new ATOM 0 HG1 THR A 9 9.710 -16.198 4.605 1.00 0.63 H new ATOM 0 HG21 THR A 9 7.844 -16.695 6.019 1.00 0.59 H new ATOM 0 HG22 THR A 9 6.364 -15.755 5.708 1.00 0.59 H new ATOM 0 HG23 THR A 9 6.991 -16.866 4.466 1.00 0.59 H new ATOM 156 N ALA A 10 6.416 -12.372 4.701 1.00 0.15 N ATOM 157 CA ALA A 10 5.324 -11.583 5.324 1.00 0.16 C ATOM 158 C ALA A 10 4.357 -11.101 4.243 1.00 0.11 C ATOM 159 O ALA A 10 3.174 -11.365 4.298 1.00 0.15 O ATOM 160 CB ALA A 10 5.921 -10.382 6.054 1.00 0.26 C ATOM 0 H ALA A 10 7.330 -11.920 4.689 1.00 0.15 H new ATOM 0 HA ALA A 10 4.783 -12.208 6.035 1.00 0.16 H new ATOM 0 HB1 ALA A 10 5.121 -9.801 6.513 1.00 0.26 H new ATOM 0 HB2 ALA A 10 6.606 -10.730 6.827 1.00 0.26 H new ATOM 0 HB3 ALA A 10 6.463 -9.757 5.344 1.00 0.26 H new ATOM 166 N PHE A 11 4.883 -10.400 3.283 1.00 0.14 N ATOM 167 CA PHE A 11 4.014 -9.908 2.180 1.00 0.23 C ATOM 168 C PHE A 11 3.122 -11.054 1.690 1.00 0.26 C ATOM 169 O PHE A 11 2.072 -10.832 1.126 1.00 0.32 O ATOM 170 CB PHE A 11 4.911 -9.422 1.037 1.00 0.31 C ATOM 171 CG PHE A 11 4.069 -8.732 -0.043 1.00 0.30 C ATOM 172 CD1 PHE A 11 3.360 -7.578 0.247 1.00 0.29 C ATOM 173 CD2 PHE A 11 4.007 -9.253 -1.327 1.00 0.31 C ATOM 174 CE1 PHE A 11 2.603 -6.958 -0.728 1.00 0.29 C ATOM 175 CE2 PHE A 11 3.251 -8.630 -2.299 1.00 0.30 C ATOM 176 CZ PHE A 11 2.550 -7.483 -1.999 1.00 0.29 C ATOM 0 H PHE A 11 5.869 -10.147 3.212 1.00 0.14 H new ATOM 0 HA PHE A 11 3.383 -9.090 2.528 1.00 0.23 H new ATOM 0 HB2 PHE A 11 5.659 -8.729 1.422 1.00 0.31 H new ATOM 0 HB3 PHE A 11 5.450 -10.265 0.605 1.00 0.31 H new ATOM 0 HD1 PHE A 11 3.399 -7.160 1.242 1.00 0.29 H new ATOM 0 HD2 PHE A 11 4.554 -10.152 -1.568 1.00 0.31 H new ATOM 0 HE1 PHE A 11 2.052 -6.060 -0.492 1.00 0.29 H new ATOM 0 HE2 PHE A 11 3.209 -9.042 -3.296 1.00 0.30 H new ATOM 0 HZ PHE A 11 1.959 -6.996 -2.761 1.00 0.29 H new ATOM 186 N GLN A 12 3.574 -12.257 1.911 1.00 0.31 N ATOM 187 CA GLN A 12 2.784 -13.444 1.463 1.00 0.42 C ATOM 188 C GLN A 12 1.602 -13.736 2.401 1.00 0.38 C ATOM 189 O GLN A 12 0.458 -13.684 1.994 1.00 0.31 O ATOM 190 CB GLN A 12 3.708 -14.661 1.416 1.00 0.54 C ATOM 191 CG GLN A 12 4.143 -14.911 -0.028 1.00 0.39 C ATOM 192 CD GLN A 12 4.740 -13.628 -0.611 1.00 1.57 C ATOM 193 OE1 GLN A 12 5.560 -12.976 0.004 1.00 2.95 O ATOM 194 NE2 GLN A 12 4.355 -13.231 -1.793 1.00 1.87 N ATOM 0 H GLN A 12 4.453 -12.472 2.381 1.00 0.31 H new ATOM 0 HA GLN A 12 2.375 -13.229 0.476 1.00 0.42 H new ATOM 0 HB2 GLN A 12 4.581 -14.493 2.047 1.00 0.54 H new ATOM 0 HB3 GLN A 12 3.194 -15.538 1.810 1.00 0.54 H new ATOM 0 HG2 GLN A 12 4.878 -15.715 -0.064 1.00 0.39 H new ATOM 0 HG3 GLN A 12 3.290 -15.232 -0.626 1.00 0.39 H new ATOM 0 HE21 GLN A 12 3.667 -13.774 -2.314 1.00 1.87 H new ATOM 0 HE22 GLN A 12 4.742 -12.378 -2.196 1.00 1.87 H new ATOM 203 N GLU A 13 1.905 -14.037 3.632 1.00 0.45 N ATOM 204 CA GLU A 13 0.803 -14.377 4.597 1.00 0.44 C ATOM 205 C GLU A 13 -0.171 -13.206 4.762 1.00 0.38 C ATOM 206 O GLU A 13 -1.346 -13.408 4.996 1.00 0.38 O ATOM 207 CB GLU A 13 1.401 -14.746 5.959 1.00 0.55 C ATOM 208 CG GLU A 13 2.490 -13.744 6.327 1.00 1.39 C ATOM 209 CD GLU A 13 2.587 -13.636 7.850 1.00 2.23 C ATOM 210 OE1 GLU A 13 2.771 -14.678 8.456 1.00 1.82 O ATOM 211 OE2 GLU A 13 2.471 -12.517 8.321 1.00 3.37 O ATOM 0 H GLU A 13 2.850 -14.065 4.015 1.00 0.45 H new ATOM 0 HA GLU A 13 0.251 -15.227 4.195 1.00 0.44 H new ATOM 0 HB2 GLU A 13 0.622 -14.748 6.721 1.00 0.55 H new ATOM 0 HB3 GLU A 13 1.816 -15.753 5.925 1.00 0.55 H new ATOM 0 HG2 GLU A 13 3.447 -14.061 5.912 1.00 1.39 H new ATOM 0 HG3 GLU A 13 2.263 -12.769 5.896 1.00 1.39 H new ATOM 218 N ALA A 14 0.326 -12.008 4.638 1.00 0.37 N ATOM 219 CA ALA A 14 -0.583 -10.834 4.786 1.00 0.34 C ATOM 220 C ALA A 14 -1.655 -10.873 3.697 1.00 0.31 C ATOM 221 O ALA A 14 -2.806 -10.570 3.940 1.00 0.27 O ATOM 222 CB ALA A 14 0.229 -9.547 4.659 1.00 0.36 C ATOM 0 H ALA A 14 1.304 -11.790 4.444 1.00 0.37 H new ATOM 0 HA ALA A 14 -1.063 -10.867 5.764 1.00 0.34 H new ATOM 0 HB1 ALA A 14 -0.432 -8.687 4.767 1.00 0.36 H new ATOM 0 HB2 ALA A 14 0.990 -9.519 5.438 1.00 0.36 H new ATOM 0 HB3 ALA A 14 0.709 -9.515 3.681 1.00 0.36 H new ATOM 228 N LEU A 15 -1.250 -11.248 2.518 1.00 0.36 N ATOM 229 CA LEU A 15 -2.227 -11.323 1.395 1.00 0.33 C ATOM 230 C LEU A 15 -3.081 -12.584 1.536 1.00 0.31 C ATOM 231 O LEU A 15 -4.062 -12.756 0.840 1.00 0.27 O ATOM 232 CB LEU A 15 -1.455 -11.362 0.079 1.00 0.33 C ATOM 233 CG LEU A 15 -0.664 -10.053 -0.076 1.00 0.33 C ATOM 234 CD1 LEU A 15 0.209 -10.126 -1.327 1.00 0.34 C ATOM 235 CD2 LEU A 15 -1.629 -8.868 -0.211 1.00 0.31 C ATOM 0 H LEU A 15 -0.291 -11.505 2.282 1.00 0.36 H new ATOM 0 HA LEU A 15 -2.883 -10.453 1.413 1.00 0.33 H new ATOM 0 HB2 LEU A 15 -0.777 -12.215 0.065 1.00 0.33 H new ATOM 0 HB3 LEU A 15 -2.143 -11.488 -0.757 1.00 0.33 H new ATOM 0 HG LEU A 15 -0.038 -9.914 0.806 1.00 0.33 H new ATOM 0 HD11 LEU A 15 0.769 -9.197 -1.435 1.00 0.34 H new ATOM 0 HD12 LEU A 15 0.905 -10.960 -1.237 1.00 0.34 H new ATOM 0 HD13 LEU A 15 -0.422 -10.273 -2.203 1.00 0.34 H new ATOM 0 HD21 LEU A 15 -1.059 -7.945 -0.320 1.00 0.31 H new ATOM 0 HD22 LEU A 15 -2.260 -9.011 -1.088 1.00 0.31 H new ATOM 0 HD23 LEU A 15 -2.254 -8.805 0.679 1.00 0.31 H new ATOM 247 N ASP A 16 -2.687 -13.439 2.438 1.00 0.35 N ATOM 248 CA ASP A 16 -3.469 -14.690 2.650 1.00 0.35 C ATOM 249 C ASP A 16 -4.468 -14.484 3.785 1.00 0.32 C ATOM 250 O ASP A 16 -5.522 -15.089 3.811 1.00 0.33 O ATOM 251 CB ASP A 16 -2.517 -15.830 3.009 1.00 0.43 C ATOM 252 CG ASP A 16 -3.309 -17.134 3.116 1.00 0.77 C ATOM 253 OD1 ASP A 16 -3.653 -17.647 2.063 1.00 0.74 O ATOM 254 OD2 ASP A 16 -3.529 -17.544 4.244 1.00 2.18 O ATOM 0 H ASP A 16 -1.866 -13.328 3.033 1.00 0.35 H new ATOM 0 HA ASP A 16 -4.008 -14.939 1.736 1.00 0.35 H new ATOM 0 HB2 ASP A 16 -1.741 -15.924 2.250 1.00 0.43 H new ATOM 0 HB3 ASP A 16 -2.016 -15.617 3.953 1.00 0.43 H new ATOM 259 N ALA A 17 -4.111 -13.630 4.696 1.00 0.39 N ATOM 260 CA ALA A 17 -5.025 -13.352 5.843 1.00 0.36 C ATOM 261 C ALA A 17 -5.925 -12.164 5.503 1.00 0.27 C ATOM 262 O ALA A 17 -6.791 -11.794 6.270 1.00 0.23 O ATOM 263 CB ALA A 17 -4.190 -13.024 7.079 1.00 0.41 C ATOM 0 H ALA A 17 -3.232 -13.112 4.701 1.00 0.39 H new ATOM 0 HA ALA A 17 -5.644 -14.227 6.040 1.00 0.36 H new ATOM 0 HB1 ALA A 17 -4.851 -12.820 7.921 1.00 0.41 H new ATOM 0 HB2 ALA A 17 -3.547 -13.871 7.319 1.00 0.41 H new ATOM 0 HB3 ALA A 17 -3.574 -12.147 6.880 1.00 0.41 H new ATOM 269 N ALA A 18 -5.695 -11.594 4.355 1.00 0.25 N ATOM 270 CA ALA A 18 -6.519 -10.429 3.932 1.00 0.18 C ATOM 271 C ALA A 18 -7.849 -10.909 3.346 1.00 0.25 C ATOM 272 O ALA A 18 -8.681 -10.114 2.956 1.00 0.23 O ATOM 273 CB ALA A 18 -5.748 -9.643 2.874 1.00 0.30 C ATOM 0 H ALA A 18 -4.975 -11.883 3.693 1.00 0.25 H new ATOM 0 HA ALA A 18 -6.726 -9.795 4.794 1.00 0.18 H new ATOM 0 HB1 ALA A 18 -6.340 -8.786 2.554 1.00 0.30 H new ATOM 0 HB2 ALA A 18 -4.804 -9.296 3.295 1.00 0.30 H new ATOM 0 HB3 ALA A 18 -5.548 -10.286 2.017 1.00 0.30 H new ATOM 279 N GLY A 19 -8.019 -12.201 3.296 1.00 0.34 N ATOM 280 CA GLY A 19 -9.287 -12.748 2.739 1.00 0.44 C ATOM 281 C GLY A 19 -9.272 -12.668 1.216 1.00 0.53 C ATOM 282 O GLY A 19 -8.729 -13.526 0.549 1.00 0.91 O ATOM 0 H GLY A 19 -7.342 -12.895 3.613 1.00 0.34 H new ATOM 0 HA2 GLY A 19 -9.414 -13.783 3.055 1.00 0.44 H new ATOM 0 HA3 GLY A 19 -10.136 -12.188 3.131 1.00 0.44 H new ATOM 286 N ASP A 20 -9.868 -11.636 0.698 1.00 0.31 N ATOM 287 CA ASP A 20 -9.900 -11.478 -0.788 1.00 0.41 C ATOM 288 C ASP A 20 -10.246 -10.033 -1.175 1.00 0.37 C ATOM 289 O ASP A 20 -9.897 -9.582 -2.248 1.00 0.50 O ATOM 290 CB ASP A 20 -10.947 -12.425 -1.370 1.00 0.53 C ATOM 291 CG ASP A 20 -10.492 -12.887 -2.755 1.00 1.56 C ATOM 292 OD1 ASP A 20 -10.144 -12.012 -3.530 1.00 2.58 O ATOM 293 OD2 ASP A 20 -10.519 -14.089 -2.960 1.00 2.22 O ATOM 0 H ASP A 20 -10.332 -10.898 1.228 1.00 0.31 H new ATOM 0 HA ASP A 20 -8.914 -11.716 -1.188 1.00 0.41 H new ATOM 0 HB2 ASP A 20 -11.083 -13.284 -0.713 1.00 0.53 H new ATOM 0 HB3 ASP A 20 -11.911 -11.922 -1.440 1.00 0.53 H new ATOM 298 N LYS A 21 -10.932 -9.341 -0.302 1.00 0.32 N ATOM 299 CA LYS A 21 -11.298 -7.928 -0.613 1.00 0.43 C ATOM 300 C LYS A 21 -10.097 -7.192 -1.215 1.00 0.45 C ATOM 301 O LYS A 21 -8.985 -7.681 -1.178 1.00 0.45 O ATOM 302 CB LYS A 21 -11.733 -7.229 0.674 1.00 0.47 C ATOM 303 CG LYS A 21 -13.021 -7.875 1.185 1.00 0.63 C ATOM 304 CD LYS A 21 -12.809 -8.346 2.625 1.00 0.64 C ATOM 305 CE LYS A 21 -14.137 -8.868 3.179 1.00 0.96 C ATOM 306 NZ LYS A 21 -13.903 -9.739 4.364 1.00 0.91 N ATOM 0 H LYS A 21 -11.251 -9.688 0.602 1.00 0.32 H new ATOM 0 HA LYS A 21 -12.115 -7.918 -1.335 1.00 0.43 H new ATOM 0 HB2 LYS A 21 -10.949 -7.307 1.427 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -11.893 -6.167 0.489 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -13.843 -7.161 1.140 1.00 0.63 H new ATOM 0 HG3 LYS A 21 -13.296 -8.718 0.551 1.00 0.63 H new ATOM 0 HD2 LYS A 21 -12.053 -9.131 2.657 1.00 0.64 H new ATOM 0 HD3 LYS A 21 -12.442 -7.524 3.240 1.00 0.64 H new ATOM 0 HE2 LYS A 21 -14.776 -8.030 3.457 1.00 0.96 H new ATOM 0 HE3 LYS A 21 -14.664 -9.428 2.407 1.00 0.96 H new ATOM 0 HZ1 LYS A 21 -14.815 -10.084 4.727 1.00 0.91 H new ATOM 0 HZ2 LYS A 21 -13.311 -10.549 4.088 1.00 0.91 H new ATOM 0 HZ3 LYS A 21 -13.420 -9.193 5.106 1.00 0.91 H new ATOM 320 N LEU A 22 -10.345 -6.031 -1.751 1.00 0.48 N ATOM 321 CA LEU A 22 -9.231 -5.257 -2.366 1.00 0.51 C ATOM 322 C LEU A 22 -8.107 -5.054 -1.345 1.00 0.39 C ATOM 323 O LEU A 22 -8.361 -4.855 -0.171 1.00 0.41 O ATOM 324 CB LEU A 22 -9.769 -3.901 -2.822 1.00 0.65 C ATOM 325 CG LEU A 22 -8.682 -3.152 -3.608 1.00 1.08 C ATOM 326 CD1 LEU A 22 -8.375 -3.893 -4.917 1.00 1.97 C ATOM 327 CD2 LEU A 22 -9.186 -1.746 -3.936 1.00 1.16 C ATOM 0 H LEU A 22 -11.262 -5.587 -1.790 1.00 0.48 H new ATOM 0 HA LEU A 22 -8.831 -5.804 -3.220 1.00 0.51 H new ATOM 0 HB2 LEU A 22 -10.652 -4.040 -3.446 1.00 0.65 H new ATOM 0 HB3 LEU A 22 -10.078 -3.312 -1.958 1.00 0.65 H new ATOM 0 HG LEU A 22 -7.775 -3.097 -3.006 1.00 1.08 H new ATOM 0 HD11 LEU A 22 -7.603 -3.355 -5.467 1.00 1.97 H new ATOM 0 HD12 LEU A 22 -8.024 -4.900 -4.691 1.00 1.97 H new ATOM 0 HD13 LEU A 22 -9.279 -3.951 -5.523 1.00 1.97 H new ATOM 0 HD21 LEU A 22 -8.421 -1.206 -4.494 1.00 1.16 H new ATOM 0 HD22 LEU A 22 -10.093 -1.815 -4.537 1.00 1.16 H new ATOM 0 HD23 LEU A 22 -9.404 -1.213 -3.011 1.00 1.16 H new ATOM 339 N VAL A 23 -6.887 -5.106 -1.820 1.00 0.29 N ATOM 340 CA VAL A 23 -5.721 -4.920 -0.904 1.00 0.19 C ATOM 341 C VAL A 23 -4.762 -3.895 -1.524 1.00 0.18 C ATOM 342 O VAL A 23 -3.966 -4.227 -2.378 1.00 0.16 O ATOM 343 CB VAL A 23 -5.003 -6.281 -0.734 1.00 0.13 C ATOM 344 CG1 VAL A 23 -4.230 -6.336 0.597 1.00 0.21 C ATOM 345 CG2 VAL A 23 -6.040 -7.408 -0.749 1.00 0.20 C ATOM 0 H VAL A 23 -6.649 -5.269 -2.799 1.00 0.29 H new ATOM 0 HA VAL A 23 -6.052 -4.560 0.070 1.00 0.19 H new ATOM 0 HB VAL A 23 -4.297 -6.400 -1.556 1.00 0.13 H new ATOM 0 HG11 VAL A 23 -3.735 -7.303 0.691 1.00 0.21 H new ATOM 0 HG12 VAL A 23 -3.483 -5.543 0.617 1.00 0.21 H new ATOM 0 HG13 VAL A 23 -4.924 -6.202 1.427 1.00 0.21 H new ATOM 0 HG21 VAL A 23 -5.537 -8.367 -0.629 1.00 0.20 H new ATOM 0 HG22 VAL A 23 -6.746 -7.264 0.069 1.00 0.20 H new ATOM 0 HG23 VAL A 23 -6.577 -7.396 -1.698 1.00 0.20 H new ATOM 355 N VAL A 24 -4.860 -2.669 -1.078 1.00 0.24 N ATOM 356 CA VAL A 24 -3.981 -1.606 -1.659 1.00 0.25 C ATOM 357 C VAL A 24 -2.721 -1.400 -0.814 1.00 0.23 C ATOM 358 O VAL A 24 -2.796 -1.252 0.388 1.00 0.24 O ATOM 359 CB VAL A 24 -4.762 -0.298 -1.719 1.00 0.30 C ATOM 360 CG1 VAL A 24 -3.865 0.786 -2.307 1.00 0.29 C ATOM 361 CG2 VAL A 24 -5.988 -0.480 -2.615 1.00 0.32 C ATOM 0 H VAL A 24 -5.500 -2.359 -0.347 1.00 0.24 H new ATOM 0 HA VAL A 24 -3.675 -1.919 -2.657 1.00 0.25 H new ATOM 0 HB VAL A 24 -5.083 -0.012 -0.717 1.00 0.30 H new ATOM 0 HG11 VAL A 24 -4.414 1.726 -2.355 1.00 0.29 H new ATOM 0 HG12 VAL A 24 -2.985 0.911 -1.677 1.00 0.29 H new ATOM 0 HG13 VAL A 24 -3.554 0.496 -3.311 1.00 0.29 H new ATOM 0 HG21 VAL A 24 -6.548 0.454 -2.659 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -5.667 -0.759 -3.619 1.00 0.32 H new ATOM 0 HG23 VAL A 24 -6.624 -1.265 -2.206 1.00 0.32 H new ATOM 371 N VAL A 25 -1.588 -1.369 -1.477 1.00 0.25 N ATOM 372 CA VAL A 25 -0.302 -1.171 -0.737 1.00 0.23 C ATOM 373 C VAL A 25 0.189 0.263 -0.895 1.00 0.27 C ATOM 374 O VAL A 25 -0.187 0.955 -1.821 1.00 0.44 O ATOM 375 CB VAL A 25 0.762 -2.122 -1.292 1.00 0.19 C ATOM 376 CG1 VAL A 25 2.129 -1.745 -0.711 1.00 0.49 C ATOM 377 CG2 VAL A 25 0.432 -3.555 -0.884 1.00 0.19 C ATOM 0 H VAL A 25 -1.499 -1.471 -2.488 1.00 0.25 H new ATOM 0 HA VAL A 25 -0.476 -1.377 0.319 1.00 0.23 H new ATOM 0 HB VAL A 25 0.783 -2.045 -2.379 1.00 0.19 H new ATOM 0 HG11 VAL A 25 2.890 -2.420 -1.104 1.00 0.49 H new ATOM 0 HG12 VAL A 25 2.373 -0.720 -0.991 1.00 0.49 H new ATOM 0 HG13 VAL A 25 2.098 -1.826 0.375 1.00 0.49 H new ATOM 0 HG21 VAL A 25 1.191 -4.230 -1.280 1.00 0.19 H new ATOM 0 HG22 VAL A 25 0.413 -3.629 0.203 1.00 0.19 H new ATOM 0 HG23 VAL A 25 -0.544 -3.831 -1.283 1.00 0.19 H new ATOM 387 N ASP A 26 1.016 0.672 0.027 1.00 0.23 N ATOM 388 CA ASP A 26 1.575 2.049 -0.034 1.00 0.23 C ATOM 389 C ASP A 26 3.095 1.988 0.085 1.00 0.19 C ATOM 390 O ASP A 26 3.641 2.027 1.173 1.00 0.22 O ATOM 391 CB ASP A 26 1.011 2.869 1.116 1.00 0.30 C ATOM 392 CG ASP A 26 1.647 4.261 1.105 1.00 0.32 C ATOM 393 OD1 ASP A 26 1.866 4.747 0.009 1.00 1.11 O ATOM 394 OD2 ASP A 26 1.880 4.757 2.195 1.00 0.99 O ATOM 0 H ASP A 26 1.328 0.111 0.820 1.00 0.23 H new ATOM 0 HA ASP A 26 1.304 2.512 -0.983 1.00 0.23 H new ATOM 0 HB2 ASP A 26 -0.072 2.951 1.023 1.00 0.30 H new ATOM 0 HB3 ASP A 26 1.212 2.372 2.065 1.00 0.30 H new ATOM 399 N PHE A 27 3.746 1.875 -1.035 1.00 0.16 N ATOM 400 CA PHE A 27 5.229 1.815 -1.012 1.00 0.19 C ATOM 401 C PHE A 27 5.799 3.213 -0.796 1.00 0.27 C ATOM 402 O PHE A 27 5.701 4.066 -1.655 1.00 0.54 O ATOM 403 CB PHE A 27 5.724 1.265 -2.338 1.00 0.20 C ATOM 404 CG PHE A 27 5.431 -0.237 -2.407 1.00 0.20 C ATOM 405 CD1 PHE A 27 6.283 -1.145 -1.805 1.00 0.20 C ATOM 406 CD2 PHE A 27 4.309 -0.709 -3.074 1.00 0.26 C ATOM 407 CE1 PHE A 27 6.024 -2.497 -1.866 1.00 0.22 C ATOM 408 CE2 PHE A 27 4.056 -2.069 -3.131 1.00 0.32 C ATOM 409 CZ PHE A 27 4.914 -2.957 -2.527 1.00 0.28 C ATOM 0 H PHE A 27 3.319 1.822 -1.960 1.00 0.16 H new ATOM 0 HA PHE A 27 5.555 1.167 -0.198 1.00 0.19 H new ATOM 0 HB2 PHE A 27 5.234 1.781 -3.164 1.00 0.20 H new ATOM 0 HB3 PHE A 27 6.794 1.443 -2.441 1.00 0.20 H new ATOM 0 HD1 PHE A 27 7.159 -0.791 -1.282 1.00 0.20 H new ATOM 0 HD2 PHE A 27 3.632 -0.014 -3.549 1.00 0.26 H new ATOM 0 HE1 PHE A 27 6.697 -3.196 -1.392 1.00 0.22 H new ATOM 0 HE2 PHE A 27 3.182 -2.433 -3.651 1.00 0.32 H new ATOM 0 HZ PHE A 27 4.714 -4.017 -2.573 1.00 0.28 H new ATOM 419 N SER A 28 6.383 3.417 0.344 1.00 0.08 N ATOM 420 CA SER A 28 6.956 4.756 0.635 1.00 0.13 C ATOM 421 C SER A 28 8.077 4.633 1.669 1.00 0.12 C ATOM 422 O SER A 28 8.453 3.541 2.045 1.00 0.19 O ATOM 423 CB SER A 28 5.850 5.648 1.179 1.00 0.15 C ATOM 424 OG SER A 28 4.959 5.802 0.085 1.00 2.08 O ATOM 0 H SER A 28 6.489 2.722 1.083 1.00 0.08 H new ATOM 0 HA SER A 28 7.370 5.187 -0.277 1.00 0.13 H new ATOM 0 HB2 SER A 28 5.354 5.191 2.035 1.00 0.15 H new ATOM 0 HB3 SER A 28 6.241 6.609 1.513 1.00 0.15 H new ATOM 0 HG SER A 28 5.386 5.474 -0.734 1.00 2.08 H new ATOM 430 N ALA A 29 8.583 5.758 2.106 1.00 0.16 N ATOM 431 CA ALA A 29 9.688 5.734 3.118 1.00 0.15 C ATOM 432 C ALA A 29 9.199 6.293 4.458 1.00 0.20 C ATOM 433 O ALA A 29 8.604 7.350 4.512 1.00 0.27 O ATOM 434 CB ALA A 29 10.844 6.586 2.603 1.00 0.17 C ATOM 0 H ALA A 29 8.283 6.687 1.810 1.00 0.16 H new ATOM 0 HA ALA A 29 10.015 4.705 3.269 1.00 0.15 H new ATOM 0 HB1 ALA A 29 11.655 6.577 3.331 1.00 0.17 H new ATOM 0 HB2 ALA A 29 11.201 6.181 1.656 1.00 0.17 H new ATOM 0 HB3 ALA A 29 10.503 7.610 2.453 1.00 0.17 H new ATOM 440 N THR A 30 9.464 5.567 5.512 1.00 0.20 N ATOM 441 CA THR A 30 9.023 6.043 6.856 1.00 0.28 C ATOM 442 C THR A 30 10.077 6.974 7.458 1.00 0.31 C ATOM 443 O THR A 30 9.756 7.912 8.162 1.00 0.41 O ATOM 444 CB THR A 30 8.822 4.835 7.777 1.00 0.31 C ATOM 445 OG1 THR A 30 8.048 5.336 8.861 1.00 0.35 O ATOM 446 CG2 THR A 30 10.141 4.376 8.399 1.00 0.39 C ATOM 0 H THR A 30 9.960 4.676 5.502 1.00 0.20 H new ATOM 0 HA THR A 30 8.086 6.591 6.753 1.00 0.28 H new ATOM 0 HB THR A 30 8.380 4.009 7.219 1.00 0.31 H new ATOM 0 HG1 THR A 30 7.874 4.614 9.500 1.00 0.35 H new ATOM 0 HG21 THR A 30 9.959 3.518 9.046 1.00 0.39 H new ATOM 0 HG22 THR A 30 10.837 4.094 7.609 1.00 0.39 H new ATOM 0 HG23 THR A 30 10.569 5.189 8.986 1.00 0.39 H new ATOM 454 N TRP A 31 11.313 6.691 7.168 1.00 0.23 N ATOM 455 CA TRP A 31 12.413 7.539 7.706 1.00 0.30 C ATOM 456 C TRP A 31 12.360 8.937 7.079 1.00 0.32 C ATOM 457 O TRP A 31 12.409 9.933 7.772 1.00 0.35 O ATOM 458 CB TRP A 31 13.739 6.878 7.357 1.00 0.29 C ATOM 459 CG TRP A 31 13.797 6.669 5.842 1.00 0.28 C ATOM 460 CD1 TRP A 31 13.294 5.607 5.221 1.00 0.25 C ATOM 461 CD2 TRP A 31 14.330 7.515 4.975 1.00 0.29 C ATOM 462 NE1 TRP A 31 13.549 5.845 3.927 1.00 0.26 N ATOM 463 CE2 TRP A 31 14.200 7.031 3.685 1.00 0.28 C ATOM 464 CE3 TRP A 31 14.945 8.744 5.181 1.00 0.33 C ATOM 465 CZ2 TRP A 31 14.679 7.758 2.619 1.00 0.30 C ATOM 466 CZ3 TRP A 31 15.422 9.467 4.108 1.00 0.36 C ATOM 467 CH2 TRP A 31 15.290 8.975 2.829 1.00 0.34 C ATOM 0 H TRP A 31 11.611 5.911 6.583 1.00 0.23 H new ATOM 0 HA TRP A 31 12.307 7.638 8.786 1.00 0.30 H new ATOM 0 HB2 TRP A 31 14.570 7.502 7.685 1.00 0.29 H new ATOM 0 HB3 TRP A 31 13.833 5.923 7.874 1.00 0.29 H new ATOM 0 HD1 TRP A 31 12.797 4.753 5.657 1.00 0.25 H new ATOM 0 HE1 TRP A 31 13.282 5.200 3.184 1.00 0.26 H new ATOM 0 HE3 TRP A 31 15.050 9.133 6.183 1.00 0.33 H new ATOM 0 HZ2 TRP A 31 14.576 7.373 1.615 1.00 0.30 H new ATOM 0 HZ3 TRP A 31 15.900 10.421 4.271 1.00 0.36 H new ATOM 0 HH2 TRP A 31 15.665 9.543 1.990 1.00 0.34 H new ATOM 478 N CYS A 32 12.260 8.978 5.777 1.00 0.31 N ATOM 479 CA CYS A 32 12.205 10.299 5.086 1.00 0.32 C ATOM 480 C CYS A 32 11.136 11.189 5.732 1.00 0.34 C ATOM 481 O CYS A 32 10.303 10.716 6.481 1.00 0.33 O ATOM 482 CB CYS A 32 11.866 10.083 3.614 1.00 0.28 C ATOM 483 SG CYS A 32 11.089 11.458 2.727 1.00 0.48 S ATOM 0 H CYS A 32 12.214 8.162 5.167 1.00 0.31 H new ATOM 0 HA CYS A 32 13.174 10.790 5.174 1.00 0.32 H new ATOM 0 HB2 CYS A 32 12.786 9.822 3.091 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.204 9.220 3.544 1.00 0.28 H new ATOM 0 HG CYS A 32 10.288 10.990 1.817 1.00 0.48 H new ATOM 489 N GLY A 33 11.183 12.455 5.428 1.00 0.36 N ATOM 490 CA GLY A 33 10.180 13.391 6.021 1.00 0.38 C ATOM 491 C GLY A 33 8.984 13.602 5.073 1.00 0.30 C ATOM 492 O GLY A 33 7.885 13.164 5.350 1.00 0.27 O ATOM 0 H GLY A 33 11.864 12.882 4.801 1.00 0.36 H new ATOM 0 HA2 GLY A 33 9.827 12.994 6.973 1.00 0.38 H new ATOM 0 HA3 GLY A 33 10.654 14.350 6.231 1.00 0.38 H new ATOM 496 N PRO A 34 9.228 14.275 3.965 1.00 0.27 N ATOM 497 CA PRO A 34 8.173 14.553 2.979 1.00 0.20 C ATOM 498 C PRO A 34 7.391 13.279 2.631 1.00 0.11 C ATOM 499 O PRO A 34 6.202 13.330 2.386 1.00 0.11 O ATOM 500 CB PRO A 34 8.910 15.095 1.749 1.00 0.23 C ATOM 501 CG PRO A 34 10.394 15.332 2.169 1.00 0.32 C ATOM 502 CD PRO A 34 10.559 14.786 3.602 1.00 0.33 C ATOM 0 HA PRO A 34 7.439 15.262 3.361 1.00 0.20 H new ATOM 0 HB2 PRO A 34 8.852 14.387 0.923 1.00 0.23 H new ATOM 0 HB3 PRO A 34 8.454 16.024 1.405 1.00 0.23 H new ATOM 0 HG2 PRO A 34 11.073 14.824 1.484 1.00 0.32 H new ATOM 0 HG3 PRO A 34 10.639 16.393 2.132 1.00 0.32 H new ATOM 0 HD2 PRO A 34 11.310 13.997 3.641 1.00 0.33 H new ATOM 0 HD3 PRO A 34 10.883 15.568 4.288 1.00 0.33 H new ATOM 510 N CYS A 35 8.071 12.166 2.618 1.00 0.23 N ATOM 511 CA CYS A 35 7.366 10.892 2.291 1.00 0.16 C ATOM 512 C CYS A 35 6.342 10.567 3.384 1.00 0.18 C ATOM 513 O CYS A 35 5.246 10.127 3.100 1.00 0.16 O ATOM 514 CB CYS A 35 8.386 9.760 2.193 1.00 0.14 C ATOM 515 SG CYS A 35 9.493 9.756 0.761 1.00 0.38 S ATOM 0 H CYS A 35 9.068 12.081 2.816 1.00 0.23 H new ATOM 0 HA CYS A 35 6.848 11.001 1.338 1.00 0.16 H new ATOM 0 HB2 CYS A 35 9.000 9.782 3.093 1.00 0.14 H new ATOM 0 HB3 CYS A 35 7.842 8.815 2.201 1.00 0.14 H new ATOM 0 HG CYS A 35 10.725 9.856 1.164 1.00 0.38 H new ATOM 521 N LYS A 36 6.724 10.790 4.614 1.00 0.24 N ATOM 522 CA LYS A 36 5.783 10.503 5.732 1.00 0.29 C ATOM 523 C LYS A 36 4.776 11.648 5.879 1.00 0.23 C ATOM 524 O LYS A 36 3.825 11.547 6.624 1.00 0.19 O ATOM 525 CB LYS A 36 6.572 10.348 7.032 1.00 0.44 C ATOM 526 CG LYS A 36 5.585 10.179 8.193 1.00 0.76 C ATOM 527 CD LYS A 36 6.289 9.505 9.377 1.00 0.71 C ATOM 528 CE LYS A 36 7.387 10.430 9.919 1.00 1.45 C ATOM 529 NZ LYS A 36 8.631 10.299 9.111 1.00 2.54 N ATOM 0 H LYS A 36 7.636 11.154 4.889 1.00 0.24 H new ATOM 0 HA LYS A 36 5.243 9.581 5.517 1.00 0.29 H new ATOM 0 HB2 LYS A 36 7.234 9.484 6.971 1.00 0.44 H new ATOM 0 HB3 LYS A 36 7.203 11.222 7.197 1.00 0.44 H new ATOM 0 HG2 LYS A 36 5.194 11.151 8.495 1.00 0.76 H new ATOM 0 HG3 LYS A 36 4.733 9.578 7.874 1.00 0.76 H new ATOM 0 HD2 LYS A 36 5.567 9.282 10.163 1.00 0.71 H new ATOM 0 HD3 LYS A 36 6.722 8.555 9.063 1.00 0.71 H new ATOM 0 HE2 LYS A 36 7.041 11.464 9.899 1.00 1.45 H new ATOM 0 HE3 LYS A 36 7.596 10.184 10.960 1.00 1.45 H new ATOM 0 HZ1 LYS A 36 9.458 10.317 9.741 1.00 2.54 H new ATOM 0 HZ2 LYS A 36 8.613 9.400 8.589 1.00 2.54 H new ATOM 0 HZ3 LYS A 36 8.692 11.089 8.437 1.00 2.54 H new ATOM 543 N MET A 37 5.011 12.715 5.166 1.00 0.27 N ATOM 544 CA MET A 37 4.072 13.871 5.251 1.00 0.30 C ATOM 545 C MET A 37 2.736 13.506 4.594 1.00 0.32 C ATOM 546 O MET A 37 1.709 14.076 4.907 1.00 0.35 O ATOM 547 CB MET A 37 4.693 15.071 4.532 1.00 0.33 C ATOM 548 CG MET A 37 3.823 16.313 4.759 1.00 0.76 C ATOM 549 SD MET A 37 4.589 17.720 5.604 1.00 0.78 S ATOM 550 CE MET A 37 4.279 18.956 4.319 1.00 1.61 C ATOM 0 H MET A 37 5.803 12.837 4.535 1.00 0.27 H new ATOM 0 HA MET A 37 3.893 14.122 6.297 1.00 0.30 H new ATOM 0 HB2 MET A 37 5.702 15.248 4.904 1.00 0.33 H new ATOM 0 HB3 MET A 37 4.778 14.864 3.465 1.00 0.33 H new ATOM 0 HG2 MET A 37 3.465 16.656 3.788 1.00 0.76 H new ATOM 0 HG3 MET A 37 2.947 16.011 5.333 1.00 0.76 H new ATOM 0 HE1 MET A 37 4.677 19.919 4.637 1.00 1.61 H new ATOM 0 HE2 MET A 37 4.767 18.649 3.394 1.00 1.61 H new ATOM 0 HE3 MET A 37 3.206 19.045 4.151 1.00 1.61 H new ATOM 560 N ILE A 38 2.780 12.559 3.697 1.00 0.32 N ATOM 561 CA ILE A 38 1.522 12.138 3.009 1.00 0.36 C ATOM 562 C ILE A 38 0.922 10.914 3.711 1.00 0.36 C ATOM 563 O ILE A 38 -0.120 10.425 3.329 1.00 0.20 O ATOM 564 CB ILE A 38 1.844 11.779 1.552 1.00 0.39 C ATOM 565 CG1 ILE A 38 2.547 12.969 0.862 1.00 0.60 C ATOM 566 CG2 ILE A 38 0.545 11.431 0.810 1.00 0.40 C ATOM 567 CD1 ILE A 38 1.697 14.243 0.995 1.00 0.69 C ATOM 0 H ILE A 38 3.623 12.061 3.411 1.00 0.32 H new ATOM 0 HA ILE A 38 0.802 12.956 3.043 1.00 0.36 H new ATOM 0 HB ILE A 38 2.510 10.916 1.530 1.00 0.39 H new ATOM 0 HG12 ILE A 38 3.528 13.130 1.310 1.00 0.60 H new ATOM 0 HG13 ILE A 38 2.711 12.742 -0.191 1.00 0.60 H new ATOM 0 HG21 ILE A 38 0.774 11.176 -0.225 1.00 0.40 H new ATOM 0 HG22 ILE A 38 0.065 10.581 1.295 1.00 0.40 H new ATOM 0 HG23 ILE A 38 -0.128 12.289 0.832 1.00 0.40 H new ATOM 0 HD11 ILE A 38 2.206 15.073 0.504 1.00 0.69 H new ATOM 0 HD12 ILE A 38 0.726 14.083 0.526 1.00 0.69 H new ATOM 0 HD13 ILE A 38 1.556 14.478 2.050 1.00 0.69 H new ATOM 579 N LYS A 39 1.597 10.444 4.718 1.00 0.58 N ATOM 580 CA LYS A 39 1.077 9.259 5.454 1.00 0.60 C ATOM 581 C LYS A 39 -0.254 9.568 6.180 1.00 0.56 C ATOM 582 O LYS A 39 -1.172 8.791 6.108 1.00 0.49 O ATOM 583 CB LYS A 39 2.114 8.786 6.471 1.00 0.75 C ATOM 584 CG LYS A 39 2.387 7.291 6.254 1.00 1.35 C ATOM 585 CD LYS A 39 3.210 6.755 7.425 1.00 1.35 C ATOM 586 CE LYS A 39 4.399 5.963 6.882 1.00 2.45 C ATOM 587 NZ LYS A 39 5.092 5.240 7.986 1.00 2.35 N ATOM 0 H LYS A 39 2.479 10.824 5.063 1.00 0.58 H new ATOM 0 HA LYS A 39 0.885 8.475 4.722 1.00 0.60 H new ATOM 0 HB2 LYS A 39 3.036 9.356 6.360 1.00 0.75 H new ATOM 0 HB3 LYS A 39 1.752 8.959 7.485 1.00 0.75 H new ATOM 0 HG2 LYS A 39 1.447 6.745 6.175 1.00 1.35 H new ATOM 0 HG3 LYS A 39 2.923 7.139 5.317 1.00 1.35 H new ATOM 0 HD2 LYS A 39 3.560 7.579 8.047 1.00 1.35 H new ATOM 0 HD3 LYS A 39 2.592 6.118 8.058 1.00 1.35 H new ATOM 0 HE2 LYS A 39 4.057 5.251 6.131 1.00 2.45 H new ATOM 0 HE3 LYS A 39 5.097 6.638 6.386 1.00 2.45 H new ATOM 0 HZ1 LYS A 39 6.117 5.404 7.919 1.00 2.35 H new ATOM 0 HZ2 LYS A 39 4.744 5.590 8.902 1.00 2.35 H new ATOM 0 HZ3 LYS A 39 4.899 4.221 7.909 1.00 2.35 H new ATOM 601 N PRO A 40 -0.339 10.699 6.872 1.00 0.63 N ATOM 602 CA PRO A 40 -1.571 11.045 7.598 1.00 0.65 C ATOM 603 C PRO A 40 -2.783 11.076 6.652 1.00 0.54 C ATOM 604 O PRO A 40 -3.898 11.311 7.079 1.00 0.59 O ATOM 605 CB PRO A 40 -1.310 12.425 8.207 1.00 0.76 C ATOM 606 CG PRO A 40 0.189 12.767 7.946 1.00 0.79 C ATOM 607 CD PRO A 40 0.741 11.699 6.984 1.00 0.71 C ATOM 0 HA PRO A 40 -1.808 10.306 8.363 1.00 0.65 H new ATOM 0 HB2 PRO A 40 -1.960 13.174 7.755 1.00 0.76 H new ATOM 0 HB3 PRO A 40 -1.523 12.421 9.276 1.00 0.76 H new ATOM 0 HG2 PRO A 40 0.286 13.762 7.512 1.00 0.79 H new ATOM 0 HG3 PRO A 40 0.751 12.770 8.880 1.00 0.79 H new ATOM 0 HD2 PRO A 40 0.984 12.129 6.012 1.00 0.71 H new ATOM 0 HD3 PRO A 40 1.656 11.252 7.372 1.00 0.71 H new ATOM 615 N PHE A 41 -2.538 10.836 5.387 1.00 0.40 N ATOM 616 CA PHE A 41 -3.665 10.830 4.401 1.00 0.29 C ATOM 617 C PHE A 41 -4.049 9.382 4.062 1.00 0.20 C ATOM 618 O PHE A 41 -5.199 9.004 4.155 1.00 0.30 O ATOM 619 CB PHE A 41 -3.230 11.559 3.130 1.00 0.18 C ATOM 620 CG PHE A 41 -3.157 13.060 3.409 1.00 0.30 C ATOM 621 CD1 PHE A 41 -2.040 13.607 4.017 1.00 0.40 C ATOM 622 CD2 PHE A 41 -4.206 13.890 3.056 1.00 0.36 C ATOM 623 CE1 PHE A 41 -1.977 14.963 4.268 1.00 0.50 C ATOM 624 CE2 PHE A 41 -4.140 15.245 3.309 1.00 0.46 C ATOM 625 CZ PHE A 41 -3.026 15.780 3.915 1.00 0.52 C ATOM 0 H PHE A 41 -1.615 10.646 4.996 1.00 0.40 H new ATOM 0 HA PHE A 41 -4.528 11.336 4.833 1.00 0.29 H new ATOM 0 HB2 PHE A 41 -2.258 11.191 2.800 1.00 0.18 H new ATOM 0 HB3 PHE A 41 -3.936 11.361 2.324 1.00 0.18 H new ATOM 0 HD1 PHE A 41 -1.214 12.970 4.296 1.00 0.40 H new ATOM 0 HD2 PHE A 41 -5.082 13.475 2.580 1.00 0.36 H new ATOM 0 HE1 PHE A 41 -1.103 15.383 4.742 1.00 0.50 H new ATOM 0 HE2 PHE A 41 -4.963 15.886 3.031 1.00 0.46 H new ATOM 0 HZ PHE A 41 -2.975 16.840 4.113 1.00 0.52 H new ATOM 635 N PHE A 42 -3.071 8.606 3.674 1.00 0.14 N ATOM 636 CA PHE A 42 -3.350 7.173 3.336 1.00 0.11 C ATOM 637 C PHE A 42 -3.416 6.351 4.622 1.00 0.18 C ATOM 638 O PHE A 42 -3.971 5.269 4.654 1.00 0.25 O ATOM 639 CB PHE A 42 -2.215 6.642 2.457 1.00 0.27 C ATOM 640 CG PHE A 42 -2.360 5.125 2.289 1.00 0.21 C ATOM 641 CD1 PHE A 42 -3.214 4.608 1.331 1.00 0.21 C ATOM 642 CD2 PHE A 42 -1.639 4.247 3.091 1.00 0.17 C ATOM 643 CE1 PHE A 42 -3.345 3.243 1.175 1.00 0.17 C ATOM 644 CE2 PHE A 42 -1.776 2.884 2.932 1.00 0.15 C ATOM 645 CZ PHE A 42 -2.627 2.384 1.976 1.00 0.14 C ATOM 0 H PHE A 42 -2.098 8.896 3.576 1.00 0.14 H new ATOM 0 HA PHE A 42 -4.300 7.096 2.807 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -2.238 7.130 1.482 1.00 0.27 H new ATOM 0 HB3 PHE A 42 -1.251 6.877 2.909 1.00 0.27 H new ATOM 0 HD1 PHE A 42 -3.782 5.277 0.701 1.00 0.21 H new ATOM 0 HD2 PHE A 42 -0.968 4.635 3.843 1.00 0.17 H new ATOM 0 HE1 PHE A 42 -4.012 2.848 0.423 1.00 0.17 H new ATOM 0 HE2 PHE A 42 -1.214 2.209 3.560 1.00 0.15 H new ATOM 0 HZ PHE A 42 -2.733 1.316 1.853 1.00 0.14 H new ATOM 655 N HIS A 43 -2.846 6.895 5.652 1.00 0.18 N ATOM 656 CA HIS A 43 -2.828 6.191 6.963 1.00 0.27 C ATOM 657 C HIS A 43 -4.119 6.482 7.739 1.00 0.28 C ATOM 658 O HIS A 43 -4.439 5.803 8.695 1.00 0.37 O ATOM 659 CB HIS A 43 -1.619 6.690 7.760 1.00 0.36 C ATOM 660 CG HIS A 43 -1.344 5.748 8.928 1.00 0.44 C ATOM 661 ND1 HIS A 43 -2.135 4.868 9.342 1.00 0.46 N ATOM 662 CD2 HIS A 43 -0.229 5.656 9.743 1.00 0.50 C ATOM 663 CE1 HIS A 43 -1.644 4.232 10.325 1.00 0.53 C ATOM 664 NE2 HIS A 43 -0.425 4.667 10.653 1.00 0.55 N ATOM 0 H HIS A 43 -2.386 7.806 5.646 1.00 0.18 H new ATOM 0 HA HIS A 43 -2.758 5.115 6.805 1.00 0.27 H new ATOM 0 HB2 HIS A 43 -0.744 6.746 7.113 1.00 0.36 H new ATOM 0 HB3 HIS A 43 -1.807 7.698 8.130 1.00 0.36 H new ATOM 0 HD1 HIS A 43 -3.055 4.686 8.941 1.00 0.46 H new ATOM 0 HD2 HIS A 43 0.655 6.272 9.667 1.00 0.50 H new ATOM 0 HE1 HIS A 43 -2.154 3.430 10.838 1.00 0.53 H new ATOM 672 N SER A 44 -4.835 7.487 7.309 1.00 0.22 N ATOM 673 CA SER A 44 -6.107 7.835 8.011 1.00 0.27 C ATOM 674 C SER A 44 -7.256 6.971 7.488 1.00 0.27 C ATOM 675 O SER A 44 -8.331 6.954 8.052 1.00 0.28 O ATOM 676 CB SER A 44 -6.427 9.308 7.768 1.00 0.26 C ATOM 677 OG SER A 44 -6.014 9.955 8.962 1.00 1.56 O ATOM 0 H SER A 44 -4.599 8.077 6.511 1.00 0.22 H new ATOM 0 HA SER A 44 -5.987 7.651 9.079 1.00 0.27 H new ATOM 0 HB2 SER A 44 -5.892 9.694 6.900 1.00 0.26 H new ATOM 0 HB3 SER A 44 -7.490 9.459 7.580 1.00 0.26 H new ATOM 0 HG SER A 44 -5.282 10.575 8.762 1.00 1.56 H new ATOM 683 N LEU A 45 -7.002 6.272 6.420 1.00 0.27 N ATOM 684 CA LEU A 45 -8.067 5.401 5.844 1.00 0.28 C ATOM 685 C LEU A 45 -8.186 4.113 6.663 1.00 0.34 C ATOM 686 O LEU A 45 -9.088 3.324 6.459 1.00 0.36 O ATOM 687 CB LEU A 45 -7.700 5.055 4.404 1.00 0.19 C ATOM 688 CG LEU A 45 -7.314 6.336 3.661 1.00 0.22 C ATOM 689 CD1 LEU A 45 -6.975 5.993 2.209 1.00 0.06 C ATOM 690 CD2 LEU A 45 -8.494 7.310 3.686 1.00 0.39 C ATOM 0 H LEU A 45 -6.112 6.264 5.922 1.00 0.27 H new ATOM 0 HA LEU A 45 -9.021 5.928 5.869 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -6.871 4.347 4.387 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -8.542 4.572 3.908 1.00 0.19 H new ATOM 0 HG LEU A 45 -6.450 6.794 4.143 1.00 0.22 H new ATOM 0 HD11 LEU A 45 -6.699 6.902 1.675 1.00 0.06 H new ATOM 0 HD12 LEU A 45 -6.141 5.292 2.186 1.00 0.06 H new ATOM 0 HD13 LEU A 45 -7.843 5.540 1.730 1.00 0.06 H new ATOM 0 HD21 LEU A 45 -8.223 8.224 3.158 1.00 0.39 H new ATOM 0 HD22 LEU A 45 -9.355 6.851 3.199 1.00 0.39 H new ATOM 0 HD23 LEU A 45 -8.746 7.549 4.719 1.00 0.39 H new ATOM 702 N SER A 46 -7.272 3.932 7.573 1.00 0.36 N ATOM 703 CA SER A 46 -7.306 2.703 8.416 1.00 0.44 C ATOM 704 C SER A 46 -8.649 2.591 9.150 1.00 0.49 C ATOM 705 O SER A 46 -9.121 1.503 9.418 1.00 0.57 O ATOM 706 CB SER A 46 -6.176 2.775 9.440 1.00 0.46 C ATOM 707 OG SER A 46 -6.843 2.754 10.694 1.00 0.97 O ATOM 0 H SER A 46 -6.507 4.577 7.770 1.00 0.36 H new ATOM 0 HA SER A 46 -7.183 1.829 7.777 1.00 0.44 H new ATOM 0 HB2 SER A 46 -5.492 1.933 9.338 1.00 0.46 H new ATOM 0 HB3 SER A 46 -5.585 3.683 9.318 1.00 0.46 H new ATOM 0 HG SER A 46 -6.182 2.796 11.417 1.00 0.97 H new ATOM 713 N GLU A 47 -9.233 3.720 9.459 1.00 0.46 N ATOM 714 CA GLU A 47 -10.541 3.703 10.182 1.00 0.53 C ATOM 715 C GLU A 47 -11.696 3.974 9.210 1.00 0.50 C ATOM 716 O GLU A 47 -12.727 3.334 9.276 1.00 0.55 O ATOM 717 CB GLU A 47 -10.526 4.784 11.263 1.00 0.58 C ATOM 718 CG GLU A 47 -9.766 4.260 12.485 1.00 0.66 C ATOM 719 CD GLU A 47 -9.464 5.425 13.431 1.00 1.00 C ATOM 720 OE1 GLU A 47 -10.333 6.275 13.536 1.00 1.12 O ATOM 721 OE2 GLU A 47 -8.382 5.399 13.994 1.00 1.98 O ATOM 0 H GLU A 47 -8.865 4.647 9.244 1.00 0.46 H new ATOM 0 HA GLU A 47 -10.686 2.721 10.632 1.00 0.53 H new ATOM 0 HB2 GLU A 47 -10.050 5.688 10.884 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -11.545 5.052 11.541 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -10.359 3.503 12.999 1.00 0.66 H new ATOM 0 HG3 GLU A 47 -8.838 3.780 12.173 1.00 0.66 H new ATOM 728 N LYS A 48 -11.500 4.917 8.332 1.00 0.45 N ATOM 729 CA LYS A 48 -12.582 5.242 7.355 1.00 0.44 C ATOM 730 C LYS A 48 -12.979 3.992 6.564 1.00 0.40 C ATOM 731 O LYS A 48 -14.089 3.510 6.676 1.00 0.42 O ATOM 732 CB LYS A 48 -12.086 6.319 6.398 1.00 0.42 C ATOM 733 CG LYS A 48 -13.178 7.383 6.224 1.00 0.68 C ATOM 734 CD LYS A 48 -14.425 6.743 5.601 1.00 1.53 C ATOM 735 CE LYS A 48 -15.203 7.814 4.834 1.00 1.34 C ATOM 736 NZ LYS A 48 -16.467 7.249 4.286 1.00 2.88 N ATOM 0 H LYS A 48 -10.649 5.472 8.246 1.00 0.45 H new ATOM 0 HA LYS A 48 -13.456 5.603 7.897 1.00 0.44 H new ATOM 0 HB2 LYS A 48 -11.176 6.776 6.786 1.00 0.42 H new ATOM 0 HB3 LYS A 48 -11.835 5.877 5.434 1.00 0.42 H new ATOM 0 HG2 LYS A 48 -13.427 7.824 7.189 1.00 0.68 H new ATOM 0 HG3 LYS A 48 -12.815 8.191 5.588 1.00 0.68 H new ATOM 0 HD2 LYS A 48 -14.138 5.933 4.930 1.00 1.53 H new ATOM 0 HD3 LYS A 48 -15.052 6.306 6.378 1.00 1.53 H new ATOM 0 HE2 LYS A 48 -15.428 8.651 5.495 1.00 1.34 H new ATOM 0 HE3 LYS A 48 -14.590 8.205 4.022 1.00 1.34 H new ATOM 0 HZ1 LYS A 48 -16.983 7.989 3.768 1.00 2.88 H new ATOM 0 HZ2 LYS A 48 -16.245 6.465 3.640 1.00 2.88 H new ATOM 0 HZ3 LYS A 48 -17.057 6.897 5.067 1.00 2.88 H new ATOM 750 N TYR A 49 -12.063 3.493 5.779 1.00 0.37 N ATOM 751 CA TYR A 49 -12.375 2.273 4.978 1.00 0.35 C ATOM 752 C TYR A 49 -12.089 1.014 5.805 1.00 0.34 C ATOM 753 O TYR A 49 -10.977 0.528 5.835 1.00 0.35 O ATOM 754 CB TYR A 49 -11.507 2.267 3.719 1.00 0.38 C ATOM 755 CG TYR A 49 -12.154 3.156 2.655 1.00 0.37 C ATOM 756 CD1 TYR A 49 -13.263 2.722 1.960 1.00 0.35 C ATOM 757 CD2 TYR A 49 -11.635 4.404 2.376 1.00 0.40 C ATOM 758 CE1 TYR A 49 -13.846 3.525 1.001 1.00 0.34 C ATOM 759 CE2 TYR A 49 -12.218 5.207 1.416 1.00 0.39 C ATOM 760 CZ TYR A 49 -13.328 4.774 0.721 1.00 0.35 C ATOM 761 OH TYR A 49 -13.914 5.577 -0.236 1.00 0.35 O ATOM 0 H TYR A 49 -11.123 3.871 5.658 1.00 0.37 H new ATOM 0 HA TYR A 49 -13.429 2.281 4.701 1.00 0.35 H new ATOM 0 HB2 TYR A 49 -10.506 2.629 3.952 1.00 0.38 H new ATOM 0 HB3 TYR A 49 -11.399 1.250 3.343 1.00 0.38 H new ATOM 0 HD1 TYR A 49 -13.678 1.747 2.168 1.00 0.35 H new ATOM 0 HD2 TYR A 49 -10.766 4.755 2.913 1.00 0.40 H new ATOM 0 HE1 TYR A 49 -14.715 3.173 0.465 1.00 0.34 H new ATOM 0 HE2 TYR A 49 -11.802 6.182 1.208 1.00 0.39 H new ATOM 0 HH TYR A 49 -13.312 5.662 -1.005 1.00 0.35 H new ATOM 771 N SER A 50 -13.101 0.516 6.461 1.00 0.31 N ATOM 772 CA SER A 50 -12.902 -0.708 7.293 1.00 0.30 C ATOM 773 C SER A 50 -13.194 -1.964 6.466 1.00 0.22 C ATOM 774 O SER A 50 -12.928 -3.069 6.896 1.00 0.22 O ATOM 775 CB SER A 50 -13.844 -0.656 8.494 1.00 0.35 C ATOM 776 OG SER A 50 -15.141 -0.636 7.918 1.00 0.30 O ATOM 0 H SER A 50 -14.047 0.897 6.459 1.00 0.31 H new ATOM 0 HA SER A 50 -11.868 -0.745 7.635 1.00 0.30 H new ATOM 0 HB2 SER A 50 -13.710 -1.521 9.143 1.00 0.35 H new ATOM 0 HB3 SER A 50 -13.665 0.230 9.103 1.00 0.35 H new ATOM 0 HG SER A 50 -15.814 -0.604 8.629 1.00 0.30 H new ATOM 782 N ASN A 51 -13.733 -1.766 5.298 1.00 0.17 N ATOM 783 CA ASN A 51 -14.050 -2.936 4.428 1.00 0.13 C ATOM 784 C ASN A 51 -12.864 -3.244 3.508 1.00 0.18 C ATOM 785 O ASN A 51 -12.748 -4.333 2.983 1.00 0.59 O ATOM 786 CB ASN A 51 -15.280 -2.611 3.584 1.00 0.11 C ATOM 787 CG ASN A 51 -15.846 -3.904 2.995 1.00 0.19 C ATOM 788 OD1 ASN A 51 -16.898 -4.368 3.386 1.00 1.33 O ATOM 789 ND2 ASN A 51 -15.181 -4.516 2.055 1.00 0.98 N ATOM 0 H ASN A 51 -13.967 -0.853 4.908 1.00 0.17 H new ATOM 0 HA ASN A 51 -14.248 -3.807 5.052 1.00 0.13 H new ATOM 0 HB2 ASN A 51 -16.034 -2.116 4.196 1.00 0.11 H new ATOM 0 HB3 ASN A 51 -15.014 -1.920 2.784 1.00 0.11 H new ATOM 0 HD21 ASN A 51 -15.545 -5.380 1.652 1.00 0.98 H new ATOM 0 HD22 ASN A 51 -14.297 -4.131 1.722 1.00 0.98 H new ATOM 796 N VAL A 52 -12.009 -2.271 3.339 1.00 0.26 N ATOM 797 CA VAL A 52 -10.819 -2.473 2.458 1.00 0.26 C ATOM 798 C VAL A 52 -9.567 -2.696 3.312 1.00 0.26 C ATOM 799 O VAL A 52 -9.470 -2.186 4.412 1.00 0.25 O ATOM 800 CB VAL A 52 -10.632 -1.225 1.594 1.00 0.24 C ATOM 801 CG1 VAL A 52 -9.644 -1.524 0.461 1.00 0.40 C ATOM 802 CG2 VAL A 52 -11.980 -0.822 0.994 1.00 0.26 C ATOM 0 H VAL A 52 -12.081 -1.349 3.770 1.00 0.26 H new ATOM 0 HA VAL A 52 -10.974 -3.347 1.826 1.00 0.26 H new ATOM 0 HB VAL A 52 -10.242 -0.414 2.209 1.00 0.24 H new ATOM 0 HG11 VAL A 52 -9.513 -0.633 -0.152 1.00 0.40 H new ATOM 0 HG12 VAL A 52 -8.683 -1.817 0.884 1.00 0.40 H new ATOM 0 HG13 VAL A 52 -10.032 -2.335 -0.155 1.00 0.40 H new ATOM 0 HG21 VAL A 52 -11.852 0.067 0.377 1.00 0.26 H new ATOM 0 HG22 VAL A 52 -12.363 -1.637 0.380 1.00 0.26 H new ATOM 0 HG23 VAL A 52 -12.686 -0.609 1.796 1.00 0.26 H new ATOM 812 N ILE A 53 -8.634 -3.450 2.789 1.00 0.29 N ATOM 813 CA ILE A 53 -7.381 -3.712 3.564 1.00 0.30 C ATOM 814 C ILE A 53 -6.252 -2.811 3.061 1.00 0.28 C ATOM 815 O ILE A 53 -6.148 -2.543 1.878 1.00 0.27 O ATOM 816 CB ILE A 53 -6.986 -5.180 3.395 1.00 0.35 C ATOM 817 CG1 ILE A 53 -8.015 -6.054 4.124 1.00 0.21 C ATOM 818 CG2 ILE A 53 -5.600 -5.412 4.003 1.00 0.43 C ATOM 819 CD1 ILE A 53 -8.474 -7.177 3.194 1.00 1.11 C ATOM 0 H ILE A 53 -8.682 -3.891 1.871 1.00 0.29 H new ATOM 0 HA ILE A 53 -7.556 -3.497 4.618 1.00 0.30 H new ATOM 0 HB ILE A 53 -6.960 -5.437 2.336 1.00 0.35 H new ATOM 0 HG12 ILE A 53 -7.577 -6.473 5.030 1.00 0.21 H new ATOM 0 HG13 ILE A 53 -8.868 -5.450 4.433 1.00 0.21 H new ATOM 0 HG21 ILE A 53 -5.320 -6.458 3.882 1.00 0.43 H new ATOM 0 HG22 ILE A 53 -4.870 -4.780 3.497 1.00 0.43 H new ATOM 0 HG23 ILE A 53 -5.622 -5.163 5.064 1.00 0.43 H new ATOM 0 HD11 ILE A 53 -9.205 -7.800 3.709 1.00 1.11 H new ATOM 0 HD12 ILE A 53 -8.928 -6.747 2.301 1.00 1.11 H new ATOM 0 HD13 ILE A 53 -7.616 -7.786 2.908 1.00 1.11 H new ATOM 831 N PHE A 54 -5.431 -2.364 3.976 1.00 0.29 N ATOM 832 CA PHE A 54 -4.301 -1.468 3.587 1.00 0.30 C ATOM 833 C PHE A 54 -2.987 -1.955 4.207 1.00 0.30 C ATOM 834 O PHE A 54 -2.968 -2.446 5.317 1.00 0.43 O ATOM 835 CB PHE A 54 -4.591 -0.059 4.101 1.00 0.30 C ATOM 836 CG PHE A 54 -5.916 0.438 3.533 1.00 0.26 C ATOM 837 CD1 PHE A 54 -5.964 1.070 2.303 1.00 0.30 C ATOM 838 CD2 PHE A 54 -7.087 0.262 4.245 1.00 0.18 C ATOM 839 CE1 PHE A 54 -7.164 1.520 1.796 1.00 0.27 C ATOM 840 CE2 PHE A 54 -8.287 0.713 3.735 1.00 0.14 C ATOM 841 CZ PHE A 54 -8.324 1.342 2.514 1.00 0.18 C ATOM 0 H PHE A 54 -5.493 -2.579 4.971 1.00 0.29 H new ATOM 0 HA PHE A 54 -4.205 -1.473 2.501 1.00 0.30 H new ATOM 0 HB2 PHE A 54 -4.630 -0.061 5.190 1.00 0.30 H new ATOM 0 HB3 PHE A 54 -3.785 0.616 3.812 1.00 0.30 H new ATOM 0 HD1 PHE A 54 -5.055 1.212 1.737 1.00 0.30 H new ATOM 0 HD2 PHE A 54 -7.063 -0.231 5.206 1.00 0.18 H new ATOM 0 HE1 PHE A 54 -7.194 2.012 0.835 1.00 0.27 H new ATOM 0 HE2 PHE A 54 -9.199 0.571 4.296 1.00 0.14 H new ATOM 0 HZ PHE A 54 -9.264 1.697 2.118 1.00 0.18 H new ATOM 851 N LEU A 55 -1.920 -1.814 3.463 1.00 0.16 N ATOM 852 CA LEU A 55 -0.585 -2.226 3.990 1.00 0.15 C ATOM 853 C LEU A 55 0.419 -1.093 3.756 1.00 0.18 C ATOM 854 O LEU A 55 0.250 -0.285 2.861 1.00 0.37 O ATOM 855 CB LEU A 55 -0.093 -3.493 3.275 1.00 0.22 C ATOM 856 CG LEU A 55 -1.284 -4.416 2.947 1.00 0.31 C ATOM 857 CD1 LEU A 55 -2.083 -3.858 1.766 1.00 0.53 C ATOM 858 CD2 LEU A 55 -0.754 -5.794 2.559 1.00 0.29 C ATOM 0 H LEU A 55 -1.915 -1.433 2.517 1.00 0.16 H new ATOM 0 HA LEU A 55 -0.675 -2.435 5.056 1.00 0.15 H new ATOM 0 HB2 LEU A 55 0.430 -3.222 2.358 1.00 0.22 H new ATOM 0 HB3 LEU A 55 0.623 -4.021 3.906 1.00 0.22 H new ATOM 0 HG LEU A 55 -1.929 -4.481 3.824 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -2.920 -4.521 1.547 1.00 0.53 H new ATOM 0 HD12 LEU A 55 -2.461 -2.867 2.018 1.00 0.53 H new ATOM 0 HD13 LEU A 55 -1.437 -3.788 0.891 1.00 0.53 H new ATOM 0 HD21 LEU A 55 -1.590 -6.453 2.325 1.00 0.29 H new ATOM 0 HD22 LEU A 55 -0.109 -5.703 1.685 1.00 0.29 H new ATOM 0 HD23 LEU A 55 -0.184 -6.211 3.389 1.00 0.29 H new ATOM 870 N GLU A 56 1.443 -1.066 4.562 1.00 0.15 N ATOM 871 CA GLU A 56 2.478 0.008 4.426 1.00 0.13 C ATOM 872 C GLU A 56 3.867 -0.629 4.302 1.00 0.14 C ATOM 873 O GLU A 56 4.341 -1.256 5.229 1.00 0.18 O ATOM 874 CB GLU A 56 2.438 0.894 5.670 1.00 0.12 C ATOM 875 CG GLU A 56 2.219 2.346 5.244 1.00 0.98 C ATOM 876 CD GLU A 56 2.125 3.229 6.489 1.00 1.41 C ATOM 877 OE1 GLU A 56 3.059 3.163 7.272 1.00 0.79 O ATOM 878 OE2 GLU A 56 1.123 3.919 6.589 1.00 2.64 O ATOM 0 H GLU A 56 1.612 -1.739 5.310 1.00 0.15 H new ATOM 0 HA GLU A 56 2.274 0.604 3.537 1.00 0.13 H new ATOM 0 HB2 GLU A 56 1.636 0.572 6.335 1.00 0.12 H new ATOM 0 HB3 GLU A 56 3.370 0.802 6.227 1.00 0.12 H new ATOM 0 HG2 GLU A 56 3.040 2.679 4.609 1.00 0.98 H new ATOM 0 HG3 GLU A 56 1.306 2.430 4.654 1.00 0.98 H new ATOM 885 N VAL A 57 4.492 -0.454 3.164 1.00 0.13 N ATOM 886 CA VAL A 57 5.848 -1.062 2.975 1.00 0.14 C ATOM 887 C VAL A 57 6.945 -0.010 3.156 1.00 0.13 C ATOM 888 O VAL A 57 6.869 1.076 2.615 1.00 0.09 O ATOM 889 CB VAL A 57 5.944 -1.655 1.572 1.00 0.19 C ATOM 890 CG1 VAL A 57 7.340 -2.252 1.374 1.00 0.20 C ATOM 891 CG2 VAL A 57 4.897 -2.758 1.417 1.00 0.31 C ATOM 0 H VAL A 57 4.131 0.074 2.369 1.00 0.13 H new ATOM 0 HA VAL A 57 5.987 -1.843 3.723 1.00 0.14 H new ATOM 0 HB VAL A 57 5.767 -0.876 0.830 1.00 0.19 H new ATOM 0 HG11 VAL A 57 7.415 -2.677 0.373 1.00 0.20 H new ATOM 0 HG12 VAL A 57 8.090 -1.470 1.493 1.00 0.20 H new ATOM 0 HG13 VAL A 57 7.510 -3.034 2.114 1.00 0.20 H new ATOM 0 HG21 VAL A 57 4.963 -3.184 0.416 1.00 0.31 H new ATOM 0 HG22 VAL A 57 5.079 -3.538 2.156 1.00 0.31 H new ATOM 0 HG23 VAL A 57 3.902 -2.339 1.569 1.00 0.31 H new ATOM 901 N ASP A 58 7.946 -0.364 3.917 1.00 0.16 N ATOM 902 CA ASP A 58 9.071 0.588 4.150 1.00 0.18 C ATOM 903 C ASP A 58 10.229 0.265 3.197 1.00 0.17 C ATOM 904 O ASP A 58 10.830 -0.787 3.282 1.00 0.17 O ATOM 905 CB ASP A 58 9.546 0.447 5.596 1.00 0.23 C ATOM 906 CG ASP A 58 10.540 1.566 5.915 1.00 0.25 C ATOM 907 OD1 ASP A 58 10.775 2.355 5.015 1.00 1.04 O ATOM 908 OD2 ASP A 58 11.008 1.568 7.042 1.00 1.38 O ATOM 0 H ASP A 58 8.034 -1.266 4.385 1.00 0.16 H new ATOM 0 HA ASP A 58 8.733 1.608 3.967 1.00 0.18 H new ATOM 0 HB2 ASP A 58 8.696 0.496 6.276 1.00 0.23 H new ATOM 0 HB3 ASP A 58 10.016 -0.525 5.743 1.00 0.23 H new ATOM 913 N VAL A 59 10.516 1.178 2.310 1.00 0.18 N ATOM 914 CA VAL A 59 11.628 0.932 1.341 1.00 0.19 C ATOM 915 C VAL A 59 12.985 1.128 2.024 1.00 0.24 C ATOM 916 O VAL A 59 13.891 1.702 1.454 1.00 0.56 O ATOM 917 CB VAL A 59 11.498 1.908 0.169 1.00 0.17 C ATOM 918 CG1 VAL A 59 10.172 1.657 -0.557 1.00 0.18 C ATOM 919 CG2 VAL A 59 11.511 3.340 0.703 1.00 0.16 C ATOM 0 H VAL A 59 10.037 2.073 2.212 1.00 0.18 H new ATOM 0 HA VAL A 59 11.565 -0.094 0.979 1.00 0.19 H new ATOM 0 HB VAL A 59 12.329 1.762 -0.521 1.00 0.17 H new ATOM 0 HG11 VAL A 59 10.077 2.351 -1.392 1.00 0.18 H new ATOM 0 HG12 VAL A 59 10.150 0.634 -0.932 1.00 0.18 H new ATOM 0 HG13 VAL A 59 9.344 1.808 0.136 1.00 0.18 H new ATOM 0 HG21 VAL A 59 11.419 4.039 -0.128 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.676 3.480 1.389 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.448 3.524 1.229 1.00 0.16 H new ATOM 929 N ASP A 60 13.093 0.640 3.234 1.00 0.26 N ATOM 930 CA ASP A 60 14.384 0.778 3.980 1.00 0.25 C ATOM 931 C ASP A 60 14.783 -0.570 4.585 1.00 0.26 C ATOM 932 O ASP A 60 15.894 -1.028 4.406 1.00 0.27 O ATOM 933 CB ASP A 60 14.210 1.804 5.097 1.00 0.25 C ATOM 934 CG ASP A 60 15.552 2.019 5.797 1.00 0.41 C ATOM 935 OD1 ASP A 60 16.550 1.795 5.132 1.00 0.94 O ATOM 936 OD2 ASP A 60 15.505 2.395 6.957 1.00 1.57 O ATOM 0 H ASP A 60 12.349 0.155 3.736 1.00 0.26 H new ATOM 0 HA ASP A 60 15.165 1.106 3.294 1.00 0.25 H new ATOM 0 HB2 ASP A 60 13.845 2.746 4.688 1.00 0.25 H new ATOM 0 HB3 ASP A 60 13.465 1.457 5.813 1.00 0.25 H new ATOM 941 N ASP A 61 13.860 -1.172 5.290 1.00 0.27 N ATOM 942 CA ASP A 61 14.151 -2.497 5.921 1.00 0.29 C ATOM 943 C ASP A 61 13.379 -3.603 5.193 1.00 0.40 C ATOM 944 O ASP A 61 13.431 -4.755 5.576 1.00 0.68 O ATOM 945 CB ASP A 61 13.724 -2.459 7.387 1.00 0.31 C ATOM 946 CG ASP A 61 13.890 -3.852 7.998 1.00 0.38 C ATOM 947 OD1 ASP A 61 15.033 -4.268 8.095 1.00 0.96 O ATOM 948 OD2 ASP A 61 12.865 -4.422 8.335 1.00 0.87 O ATOM 0 H ASP A 61 12.922 -0.807 5.456 1.00 0.27 H new ATOM 0 HA ASP A 61 15.219 -2.703 5.852 1.00 0.29 H new ATOM 0 HB2 ASP A 61 14.327 -1.735 7.935 1.00 0.31 H new ATOM 0 HB3 ASP A 61 12.686 -2.135 7.467 1.00 0.31 H new ATOM 953 N CYS A 62 12.679 -3.220 4.156 1.00 0.21 N ATOM 954 CA CYS A 62 11.889 -4.225 3.380 1.00 0.29 C ATOM 955 C CYS A 62 12.103 -4.013 1.877 1.00 0.35 C ATOM 956 O CYS A 62 11.285 -4.408 1.070 1.00 0.49 O ATOM 957 CB CYS A 62 10.407 -4.060 3.715 1.00 0.38 C ATOM 958 SG CYS A 62 9.991 -3.532 5.397 1.00 0.44 S ATOM 0 H CYS A 62 12.620 -2.261 3.814 1.00 0.21 H new ATOM 0 HA CYS A 62 12.219 -5.229 3.645 1.00 0.29 H new ATOM 0 HB2 CYS A 62 9.982 -3.336 3.019 1.00 0.38 H new ATOM 0 HB3 CYS A 62 9.910 -5.012 3.527 1.00 0.38 H new ATOM 0 HG CYS A 62 8.700 -3.439 5.516 1.00 0.44 H new ATOM 964 N GLN A 63 13.201 -3.390 1.535 1.00 0.41 N ATOM 965 CA GLN A 63 13.484 -3.149 0.091 1.00 0.51 C ATOM 966 C GLN A 63 13.412 -4.463 -0.686 1.00 0.37 C ATOM 967 O GLN A 63 13.324 -4.468 -1.897 1.00 0.44 O ATOM 968 CB GLN A 63 14.881 -2.527 -0.076 1.00 0.67 C ATOM 969 CG GLN A 63 15.877 -3.186 0.892 1.00 0.92 C ATOM 970 CD GLN A 63 15.970 -4.684 0.597 1.00 2.72 C ATOM 971 OE1 GLN A 63 16.134 -5.097 -0.534 1.00 3.26 O ATOM 972 NE2 GLN A 63 15.873 -5.531 1.585 1.00 4.07 N ATOM 0 H GLN A 63 13.906 -3.042 2.185 1.00 0.41 H new ATOM 0 HA GLN A 63 12.735 -2.461 -0.301 1.00 0.51 H new ATOM 0 HB2 GLN A 63 15.223 -2.654 -1.103 1.00 0.67 H new ATOM 0 HB3 GLN A 63 14.834 -1.455 0.114 1.00 0.67 H new ATOM 0 HG2 GLN A 63 16.859 -2.724 0.789 1.00 0.92 H new ATOM 0 HG3 GLN A 63 15.557 -3.028 1.922 1.00 0.92 H new ATOM 0 HE21 GLN A 63 15.735 -5.191 2.537 1.00 4.07 H new ATOM 0 HE22 GLN A 63 15.935 -6.533 1.406 1.00 4.07 H new ATOM 981 N ASP A 64 13.447 -5.548 0.030 1.00 0.24 N ATOM 982 CA ASP A 64 13.382 -6.870 -0.645 1.00 0.27 C ATOM 983 C ASP A 64 12.033 -7.032 -1.339 1.00 0.29 C ATOM 984 O ASP A 64 11.919 -7.701 -2.346 1.00 0.61 O ATOM 985 CB ASP A 64 13.563 -7.973 0.393 1.00 0.37 C ATOM 986 CG ASP A 64 12.354 -7.988 1.330 1.00 0.38 C ATOM 987 OD1 ASP A 64 12.262 -7.055 2.111 1.00 0.68 O ATOM 988 OD2 ASP A 64 11.589 -8.930 1.211 1.00 1.39 O ATOM 0 H ASP A 64 13.517 -5.578 1.047 1.00 0.24 H new ATOM 0 HA ASP A 64 14.174 -6.936 -1.391 1.00 0.27 H new ATOM 0 HB2 ASP A 64 13.667 -8.939 -0.101 1.00 0.37 H new ATOM 0 HB3 ASP A 64 14.477 -7.806 0.963 1.00 0.37 H new ATOM 993 N VAL A 65 11.041 -6.413 -0.776 1.00 0.10 N ATOM 994 CA VAL A 65 9.687 -6.502 -1.370 1.00 0.13 C ATOM 995 C VAL A 65 9.498 -5.412 -2.417 1.00 0.13 C ATOM 996 O VAL A 65 9.006 -5.660 -3.500 1.00 0.25 O ATOM 997 CB VAL A 65 8.655 -6.338 -0.274 1.00 0.22 C ATOM 998 CG1 VAL A 65 7.277 -6.734 -0.814 1.00 0.35 C ATOM 999 CG2 VAL A 65 9.021 -7.246 0.900 1.00 0.22 C ATOM 0 H VAL A 65 11.110 -5.849 0.071 1.00 0.10 H new ATOM 0 HA VAL A 65 9.568 -7.473 -1.850 1.00 0.13 H new ATOM 0 HB VAL A 65 8.632 -5.300 0.059 1.00 0.22 H new ATOM 0 HG11 VAL A 65 6.531 -6.617 -0.028 1.00 0.35 H new ATOM 0 HG12 VAL A 65 7.019 -6.093 -1.657 1.00 0.35 H new ATOM 0 HG13 VAL A 65 7.300 -7.773 -1.142 1.00 0.35 H new ATOM 0 HG21 VAL A 65 8.281 -7.132 1.692 1.00 0.22 H new ATOM 0 HG22 VAL A 65 9.038 -8.283 0.566 1.00 0.22 H new ATOM 0 HG23 VAL A 65 10.005 -6.971 1.280 1.00 0.22 H new ATOM 1009 N ALA A 66 9.897 -4.228 -2.074 1.00 0.27 N ATOM 1010 CA ALA A 66 9.755 -3.106 -3.032 1.00 0.38 C ATOM 1011 C ALA A 66 10.511 -3.436 -4.308 1.00 0.30 C ATOM 1012 O ALA A 66 9.967 -3.401 -5.393 1.00 0.35 O ATOM 1013 CB ALA A 66 10.331 -1.836 -2.410 1.00 0.56 C ATOM 0 H ALA A 66 10.314 -3.987 -1.175 1.00 0.27 H new ATOM 0 HA ALA A 66 8.701 -2.951 -3.264 1.00 0.38 H new ATOM 0 HB1 ALA A 66 10.228 -1.008 -3.112 1.00 0.56 H new ATOM 0 HB2 ALA A 66 9.791 -1.603 -1.492 1.00 0.56 H new ATOM 0 HB3 ALA A 66 11.386 -1.989 -2.181 1.00 0.56 H new ATOM 1019 N SER A 67 11.750 -3.761 -4.143 1.00 0.41 N ATOM 1020 CA SER A 67 12.582 -4.108 -5.324 1.00 0.51 C ATOM 1021 C SER A 67 11.924 -5.245 -6.104 1.00 0.43 C ATOM 1022 O SER A 67 12.259 -5.501 -7.244 1.00 0.53 O ATOM 1023 CB SER A 67 13.968 -4.542 -4.854 1.00 0.68 C ATOM 1024 OG SER A 67 14.732 -4.623 -6.049 1.00 0.59 O ATOM 0 H SER A 67 12.229 -3.803 -3.243 1.00 0.41 H new ATOM 0 HA SER A 67 12.673 -3.237 -5.973 1.00 0.51 H new ATOM 0 HB2 SER A 67 14.395 -3.822 -4.156 1.00 0.68 H new ATOM 0 HB3 SER A 67 13.931 -5.502 -4.339 1.00 0.68 H new ATOM 0 HG SER A 67 14.141 -4.838 -6.801 1.00 0.59 H new ATOM 1030 N GLU A 68 11.000 -5.902 -5.466 1.00 0.31 N ATOM 1031 CA GLU A 68 10.299 -7.021 -6.141 1.00 0.39 C ATOM 1032 C GLU A 68 9.273 -6.463 -7.123 1.00 0.32 C ATOM 1033 O GLU A 68 9.022 -7.036 -8.164 1.00 0.44 O ATOM 1034 CB GLU A 68 9.598 -7.883 -5.092 1.00 0.42 C ATOM 1035 CG GLU A 68 9.653 -9.348 -5.529 1.00 0.98 C ATOM 1036 CD GLU A 68 9.121 -9.472 -6.958 1.00 1.59 C ATOM 1037 OE1 GLU A 68 7.909 -9.456 -7.089 1.00 1.71 O ATOM 1038 OE2 GLU A 68 9.959 -9.574 -7.840 1.00 2.74 O ATOM 0 H GLU A 68 10.702 -5.712 -4.509 1.00 0.31 H new ATOM 0 HA GLU A 68 11.020 -7.630 -6.686 1.00 0.39 H new ATOM 0 HB2 GLU A 68 10.081 -7.762 -4.122 1.00 0.42 H new ATOM 0 HB3 GLU A 68 8.562 -7.564 -4.975 1.00 0.42 H new ATOM 0 HG2 GLU A 68 10.678 -9.716 -5.477 1.00 0.98 H new ATOM 0 HG3 GLU A 68 9.059 -9.963 -4.853 1.00 0.98 H new ATOM 1045 N CYS A 69 8.706 -5.351 -6.765 1.00 0.17 N ATOM 1046 CA CYS A 69 7.699 -4.713 -7.660 1.00 0.19 C ATOM 1047 C CYS A 69 8.415 -3.882 -8.725 1.00 0.21 C ATOM 1048 O CYS A 69 7.810 -3.412 -9.669 1.00 0.45 O ATOM 1049 CB CYS A 69 6.791 -3.808 -6.829 1.00 0.17 C ATOM 1050 SG CYS A 69 5.537 -4.610 -5.799 1.00 0.18 S ATOM 0 H CYS A 69 8.893 -4.854 -5.894 1.00 0.17 H new ATOM 0 HA CYS A 69 7.101 -5.483 -8.147 1.00 0.19 H new ATOM 0 HB2 CYS A 69 7.422 -3.201 -6.180 1.00 0.17 H new ATOM 0 HB3 CYS A 69 6.282 -3.125 -7.509 1.00 0.17 H new ATOM 0 HG CYS A 69 4.381 -4.056 -6.013 1.00 0.18 H new ATOM 1056 N GLU A 70 9.695 -3.719 -8.543 1.00 0.06 N ATOM 1057 CA GLU A 70 10.489 -2.931 -9.528 1.00 0.11 C ATOM 1058 C GLU A 70 10.172 -1.438 -9.407 1.00 0.07 C ATOM 1059 O GLU A 70 10.003 -0.755 -10.398 1.00 0.09 O ATOM 1060 CB GLU A 70 10.157 -3.412 -10.938 1.00 0.19 C ATOM 1061 CG GLU A 70 11.403 -3.285 -11.816 1.00 0.88 C ATOM 1062 CD GLU A 70 11.003 -3.428 -13.285 1.00 1.16 C ATOM 1063 OE1 GLU A 70 10.281 -4.371 -13.560 1.00 1.32 O ATOM 1064 OE2 GLU A 70 11.443 -2.584 -14.050 1.00 1.89 O ATOM 0 H GLU A 70 10.225 -4.096 -7.757 1.00 0.06 H new ATOM 0 HA GLU A 70 11.550 -3.077 -9.324 1.00 0.11 H new ATOM 0 HB2 GLU A 70 9.819 -4.448 -10.912 1.00 0.19 H new ATOM 0 HB3 GLU A 70 9.341 -2.821 -11.355 1.00 0.19 H new ATOM 0 HG2 GLU A 70 11.882 -2.320 -11.650 1.00 0.88 H new ATOM 0 HG3 GLU A 70 12.130 -4.052 -11.549 1.00 0.88 H new ATOM 1071 N VAL A 71 10.100 -0.960 -8.196 1.00 0.07 N ATOM 1072 CA VAL A 71 9.807 0.493 -8.008 1.00 0.08 C ATOM 1073 C VAL A 71 11.107 1.294 -8.013 1.00 0.20 C ATOM 1074 O VAL A 71 12.160 0.775 -7.698 1.00 0.30 O ATOM 1075 CB VAL A 71 9.097 0.707 -6.674 1.00 0.04 C ATOM 1076 CG1 VAL A 71 8.050 1.809 -6.833 1.00 0.05 C ATOM 1077 CG2 VAL A 71 8.405 -0.588 -6.252 1.00 0.18 C ATOM 0 H VAL A 71 10.228 -1.500 -7.340 1.00 0.07 H new ATOM 0 HA VAL A 71 9.169 0.830 -8.825 1.00 0.08 H new ATOM 0 HB VAL A 71 9.824 0.995 -5.915 1.00 0.04 H new ATOM 0 HG11 VAL A 71 7.540 1.966 -5.883 1.00 0.05 H new ATOM 0 HG12 VAL A 71 8.539 2.734 -7.139 1.00 0.05 H new ATOM 0 HG13 VAL A 71 7.324 1.514 -7.590 1.00 0.05 H new ATOM 0 HG21 VAL A 71 7.898 -0.436 -5.299 1.00 0.18 H new ATOM 0 HG22 VAL A 71 7.676 -0.874 -7.010 1.00 0.18 H new ATOM 0 HG23 VAL A 71 9.147 -1.379 -6.145 1.00 0.18 H new ATOM 1087 N LYS A 72 11.009 2.541 -8.371 1.00 0.24 N ATOM 1088 CA LYS A 72 12.231 3.392 -8.397 1.00 0.38 C ATOM 1089 C LYS A 72 11.882 4.827 -7.991 1.00 0.31 C ATOM 1090 O LYS A 72 12.522 5.767 -8.415 1.00 0.20 O ATOM 1091 CB LYS A 72 12.815 3.388 -9.808 1.00 0.55 C ATOM 1092 CG LYS A 72 14.109 4.209 -9.823 1.00 1.25 C ATOM 1093 CD LYS A 72 15.206 3.403 -10.521 1.00 1.32 C ATOM 1094 CE LYS A 72 16.409 4.314 -10.777 1.00 1.95 C ATOM 1095 NZ LYS A 72 16.491 5.375 -9.734 1.00 3.19 N ATOM 0 H LYS A 72 10.144 3.007 -8.645 1.00 0.24 H new ATOM 0 HA LYS A 72 12.962 2.994 -7.693 1.00 0.38 H new ATOM 0 HB2 LYS A 72 13.016 2.366 -10.128 1.00 0.55 H new ATOM 0 HB3 LYS A 72 12.097 3.807 -10.512 1.00 0.55 H new ATOM 0 HG2 LYS A 72 13.949 5.154 -10.342 1.00 1.25 H new ATOM 0 HG3 LYS A 72 14.412 4.452 -8.805 1.00 1.25 H new ATOM 0 HD2 LYS A 72 15.501 2.555 -9.903 1.00 1.32 H new ATOM 0 HD3 LYS A 72 14.834 2.997 -11.462 1.00 1.32 H new ATOM 0 HE2 LYS A 72 17.326 3.724 -10.777 1.00 1.95 H new ATOM 0 HE3 LYS A 72 16.324 4.771 -11.763 1.00 1.95 H new ATOM 0 HZ1 LYS A 72 17.412 5.855 -9.798 1.00 3.19 H new ATOM 0 HZ2 LYS A 72 15.729 6.067 -9.882 1.00 3.19 H new ATOM 0 HZ3 LYS A 72 16.390 4.945 -8.793 1.00 3.19 H new ATOM 1109 N CYS A 73 10.873 4.964 -7.178 1.00 0.37 N ATOM 1110 CA CYS A 73 10.473 6.334 -6.740 1.00 0.31 C ATOM 1111 C CYS A 73 9.280 6.264 -5.794 1.00 0.21 C ATOM 1112 O CYS A 73 8.328 5.552 -6.042 1.00 0.19 O ATOM 1113 CB CYS A 73 10.107 7.167 -7.966 1.00 0.33 C ATOM 1114 SG CYS A 73 9.269 6.322 -9.330 1.00 0.44 S ATOM 0 H CYS A 73 10.313 4.199 -6.801 1.00 0.37 H new ATOM 0 HA CYS A 73 11.308 6.797 -6.214 1.00 0.31 H new ATOM 0 HB2 CYS A 73 9.470 7.988 -7.637 1.00 0.33 H new ATOM 0 HB3 CYS A 73 11.023 7.611 -8.357 1.00 0.33 H new ATOM 0 HG CYS A 73 9.030 7.171 -10.285 1.00 0.44 H new ATOM 1120 N THR A 74 9.367 7.014 -4.730 1.00 0.19 N ATOM 1121 CA THR A 74 8.260 7.028 -3.731 1.00 0.18 C ATOM 1122 C THR A 74 7.619 8.433 -3.704 1.00 0.17 C ATOM 1123 O THR A 74 8.261 9.404 -4.052 1.00 0.16 O ATOM 1124 CB THR A 74 8.861 6.705 -2.355 1.00 0.25 C ATOM 1125 OG1 THR A 74 10.105 7.399 -2.336 1.00 0.21 O ATOM 1126 CG2 THR A 74 9.230 5.229 -2.242 1.00 0.32 C ATOM 0 H THR A 74 10.158 7.619 -4.509 1.00 0.19 H new ATOM 0 HA THR A 74 7.496 6.295 -3.990 1.00 0.18 H new ATOM 0 HB THR A 74 8.155 6.968 -1.567 1.00 0.25 H new ATOM 0 HG1 THR A 74 10.554 7.242 -1.479 1.00 0.21 H new ATOM 0 HG21 THR A 74 9.653 5.034 -1.256 1.00 0.32 H new ATOM 0 HG22 THR A 74 8.337 4.619 -2.381 1.00 0.32 H new ATOM 0 HG23 THR A 74 9.964 4.978 -3.008 1.00 0.32 H new ATOM 1134 N PRO A 75 6.360 8.523 -3.294 1.00 0.22 N ATOM 1135 CA PRO A 75 5.526 7.371 -2.883 1.00 0.25 C ATOM 1136 C PRO A 75 4.965 6.627 -4.109 1.00 0.23 C ATOM 1137 O PRO A 75 4.702 7.230 -5.135 1.00 0.23 O ATOM 1138 CB PRO A 75 4.369 7.997 -2.102 1.00 0.31 C ATOM 1139 CG PRO A 75 4.407 9.532 -2.378 1.00 0.33 C ATOM 1140 CD PRO A 75 5.704 9.824 -3.156 1.00 0.26 C ATOM 0 HA PRO A 75 6.099 6.647 -2.304 1.00 0.25 H new ATOM 0 HB2 PRO A 75 3.416 7.572 -2.418 1.00 0.31 H new ATOM 0 HB3 PRO A 75 4.470 7.795 -1.036 1.00 0.31 H new ATOM 0 HG2 PRO A 75 3.535 9.841 -2.955 1.00 0.33 H new ATOM 0 HG3 PRO A 75 4.385 10.092 -1.443 1.00 0.33 H new ATOM 0 HD2 PRO A 75 5.490 10.264 -4.130 1.00 0.26 H new ATOM 0 HD3 PRO A 75 6.337 10.531 -2.619 1.00 0.26 H new ATOM 1148 N THR A 76 4.794 5.332 -3.971 1.00 0.22 N ATOM 1149 CA THR A 76 4.234 4.530 -5.101 1.00 0.21 C ATOM 1150 C THR A 76 3.080 3.668 -4.579 1.00 0.20 C ATOM 1151 O THR A 76 3.243 2.919 -3.638 1.00 0.22 O ATOM 1152 CB THR A 76 5.333 3.641 -5.690 1.00 0.22 C ATOM 1153 OG1 THR A 76 6.211 4.545 -6.353 1.00 0.27 O ATOM 1154 CG2 THR A 76 4.797 2.723 -6.790 1.00 0.35 C ATOM 0 H THR A 76 5.017 4.801 -3.129 1.00 0.22 H new ATOM 0 HA THR A 76 3.863 5.194 -5.881 1.00 0.21 H new ATOM 0 HB THR A 76 5.778 3.034 -4.901 1.00 0.22 H new ATOM 0 HG1 THR A 76 7.019 4.672 -5.813 1.00 0.27 H new ATOM 0 HG21 THR A 76 5.609 2.110 -7.180 1.00 0.35 H new ATOM 0 HG22 THR A 76 4.021 2.078 -6.379 1.00 0.35 H new ATOM 0 HG23 THR A 76 4.379 3.326 -7.596 1.00 0.35 H new ATOM 1162 N PHE A 77 1.940 3.796 -5.201 1.00 0.19 N ATOM 1163 CA PHE A 77 0.756 3.010 -4.736 1.00 0.18 C ATOM 1164 C PHE A 77 0.490 1.814 -5.650 1.00 0.19 C ATOM 1165 O PHE A 77 0.531 1.932 -6.859 1.00 0.20 O ATOM 1166 CB PHE A 77 -0.462 3.920 -4.744 1.00 0.16 C ATOM 1167 CG PHE A 77 -0.381 4.867 -3.554 1.00 0.16 C ATOM 1168 CD1 PHE A 77 -0.553 4.386 -2.273 1.00 0.16 C ATOM 1169 CD2 PHE A 77 -0.136 6.215 -3.744 1.00 0.16 C ATOM 1170 CE1 PHE A 77 -0.482 5.244 -1.193 1.00 0.17 C ATOM 1171 CE2 PHE A 77 -0.064 7.069 -2.664 1.00 0.16 C ATOM 1172 CZ PHE A 77 -0.237 6.583 -1.389 1.00 0.17 C ATOM 0 H PHE A 77 1.775 4.404 -6.003 1.00 0.19 H new ATOM 0 HA PHE A 77 0.957 2.635 -3.733 1.00 0.18 H new ATOM 0 HB2 PHE A 77 -0.502 4.487 -5.674 1.00 0.16 H new ATOM 0 HB3 PHE A 77 -1.375 3.327 -4.692 1.00 0.16 H new ATOM 0 HD1 PHE A 77 -0.744 3.335 -2.114 1.00 0.16 H new ATOM 0 HD2 PHE A 77 -0.000 6.601 -4.744 1.00 0.16 H new ATOM 0 HE1 PHE A 77 -0.619 4.862 -0.192 1.00 0.17 H new ATOM 0 HE2 PHE A 77 0.128 8.120 -2.819 1.00 0.16 H new ATOM 0 HZ PHE A 77 -0.181 7.252 -0.543 1.00 0.17 H new ATOM 1182 N GLN A 78 0.225 0.685 -5.040 1.00 0.20 N ATOM 1183 CA GLN A 78 -0.074 -0.544 -5.846 1.00 0.21 C ATOM 1184 C GLN A 78 -1.391 -1.178 -5.382 1.00 0.18 C ATOM 1185 O GLN A 78 -1.766 -1.069 -4.232 1.00 0.15 O ATOM 1186 CB GLN A 78 1.061 -1.542 -5.674 1.00 0.26 C ATOM 1187 CG GLN A 78 2.326 -0.975 -6.323 1.00 0.53 C ATOM 1188 CD GLN A 78 3.456 -1.999 -6.210 1.00 0.59 C ATOM 1189 OE1 GLN A 78 3.225 -3.183 -6.081 1.00 1.29 O ATOM 1190 NE2 GLN A 78 4.692 -1.585 -6.255 1.00 0.62 N ATOM 0 H GLN A 78 0.202 0.559 -4.028 1.00 0.20 H new ATOM 0 HA GLN A 78 -0.170 -0.268 -6.896 1.00 0.21 H new ATOM 0 HB2 GLN A 78 1.235 -1.735 -4.616 1.00 0.26 H new ATOM 0 HB3 GLN A 78 0.797 -2.495 -6.133 1.00 0.26 H new ATOM 0 HG2 GLN A 78 2.137 -0.740 -7.370 1.00 0.53 H new ATOM 0 HG3 GLN A 78 2.613 -0.044 -5.834 1.00 0.53 H new ATOM 0 HE21 GLN A 78 4.893 -0.591 -6.363 1.00 0.62 H new ATOM 0 HE22 GLN A 78 5.457 -2.255 -6.182 1.00 0.62 H new ATOM 1199 N PHE A 79 -2.058 -1.831 -6.299 1.00 0.19 N ATOM 1200 CA PHE A 79 -3.361 -2.483 -5.963 1.00 0.16 C ATOM 1201 C PHE A 79 -3.220 -4.006 -6.084 1.00 0.14 C ATOM 1202 O PHE A 79 -2.862 -4.507 -7.131 1.00 0.13 O ATOM 1203 CB PHE A 79 -4.426 -1.997 -6.951 1.00 0.13 C ATOM 1204 CG PHE A 79 -4.806 -0.538 -6.644 1.00 0.16 C ATOM 1205 CD1 PHE A 79 -3.871 0.481 -6.764 1.00 0.20 C ATOM 1206 CD2 PHE A 79 -6.096 -0.219 -6.246 1.00 0.15 C ATOM 1207 CE1 PHE A 79 -4.222 1.789 -6.490 1.00 0.23 C ATOM 1208 CE2 PHE A 79 -6.442 1.090 -5.973 1.00 0.17 C ATOM 1209 CZ PHE A 79 -5.507 2.093 -6.095 1.00 0.21 C ATOM 0 H PHE A 79 -1.757 -1.941 -7.267 1.00 0.19 H new ATOM 0 HA PHE A 79 -3.649 -2.226 -4.944 1.00 0.16 H new ATOM 0 HB2 PHE A 79 -4.050 -2.076 -7.971 1.00 0.13 H new ATOM 0 HB3 PHE A 79 -5.309 -2.632 -6.887 1.00 0.13 H new ATOM 0 HD1 PHE A 79 -2.862 0.250 -7.074 1.00 0.20 H new ATOM 0 HD2 PHE A 79 -6.835 -1.000 -6.149 1.00 0.15 H new ATOM 0 HE1 PHE A 79 -3.488 2.575 -6.586 1.00 0.23 H new ATOM 0 HE2 PHE A 79 -7.449 1.327 -5.663 1.00 0.17 H new ATOM 0 HZ PHE A 79 -5.780 3.116 -5.882 1.00 0.21 H new ATOM 1219 N PHE A 80 -3.509 -4.711 -5.011 1.00 0.15 N ATOM 1220 CA PHE A 80 -3.388 -6.205 -5.053 1.00 0.16 C ATOM 1221 C PHE A 80 -4.742 -6.857 -4.764 1.00 0.14 C ATOM 1222 O PHE A 80 -5.512 -6.366 -3.960 1.00 0.14 O ATOM 1223 CB PHE A 80 -2.376 -6.651 -3.999 1.00 0.21 C ATOM 1224 CG PHE A 80 -0.965 -6.296 -4.467 1.00 0.21 C ATOM 1225 CD1 PHE A 80 -0.323 -7.066 -5.422 1.00 0.21 C ATOM 1226 CD2 PHE A 80 -0.311 -5.197 -3.940 1.00 0.23 C ATOM 1227 CE1 PHE A 80 0.951 -6.741 -5.840 1.00 0.21 C ATOM 1228 CE2 PHE A 80 0.962 -4.875 -4.359 1.00 0.23 C ATOM 1229 CZ PHE A 80 1.592 -5.647 -5.307 1.00 0.22 C ATOM 0 H PHE A 80 -3.819 -4.322 -4.121 1.00 0.15 H new ATOM 0 HA PHE A 80 -3.056 -6.510 -6.046 1.00 0.16 H new ATOM 0 HB2 PHE A 80 -2.588 -6.165 -3.047 1.00 0.21 H new ATOM 0 HB3 PHE A 80 -2.457 -7.725 -3.833 1.00 0.21 H new ATOM 0 HD1 PHE A 80 -0.823 -7.926 -5.842 1.00 0.21 H new ATOM 0 HD2 PHE A 80 -0.801 -4.587 -3.195 1.00 0.23 H new ATOM 0 HE1 PHE A 80 1.445 -7.346 -6.586 1.00 0.21 H new ATOM 0 HE2 PHE A 80 1.466 -4.015 -3.942 1.00 0.23 H new ATOM 0 HZ PHE A 80 2.590 -5.394 -5.633 1.00 0.22 H new ATOM 1239 N LYS A 81 -5.000 -7.952 -5.433 1.00 0.17 N ATOM 1240 CA LYS A 81 -6.295 -8.669 -5.220 1.00 0.17 C ATOM 1241 C LYS A 81 -6.032 -10.160 -5.012 1.00 0.31 C ATOM 1242 O LYS A 81 -5.585 -10.845 -5.909 1.00 0.25 O ATOM 1243 CB LYS A 81 -7.184 -8.471 -6.446 1.00 0.34 C ATOM 1244 CG LYS A 81 -8.629 -8.823 -6.082 1.00 0.31 C ATOM 1245 CD LYS A 81 -9.507 -8.680 -7.326 1.00 1.02 C ATOM 1246 CE LYS A 81 -10.958 -8.992 -6.953 1.00 1.17 C ATOM 1247 NZ LYS A 81 -11.423 -10.222 -7.652 1.00 2.23 N ATOM 0 H LYS A 81 -4.373 -8.380 -6.115 1.00 0.17 H new ATOM 0 HA LYS A 81 -6.793 -8.269 -4.337 1.00 0.17 H new ATOM 0 HB2 LYS A 81 -7.124 -7.439 -6.790 1.00 0.34 H new ATOM 0 HB3 LYS A 81 -6.839 -9.101 -7.266 1.00 0.34 H new ATOM 0 HG2 LYS A 81 -8.683 -9.842 -5.699 1.00 0.31 H new ATOM 0 HG3 LYS A 81 -8.988 -8.165 -5.290 1.00 0.31 H new ATOM 0 HD2 LYS A 81 -9.431 -7.669 -7.726 1.00 1.02 H new ATOM 0 HD3 LYS A 81 -9.165 -9.359 -8.108 1.00 1.02 H new ATOM 0 HE2 LYS A 81 -11.042 -9.126 -5.874 1.00 1.17 H new ATOM 0 HE3 LYS A 81 -11.597 -8.151 -7.220 1.00 1.17 H new ATOM 0 HZ1 LYS A 81 -12.409 -10.420 -7.388 1.00 2.23 H new ATOM 0 HZ2 LYS A 81 -11.362 -10.081 -8.681 1.00 2.23 H new ATOM 0 HZ3 LYS A 81 -10.823 -11.026 -7.376 1.00 2.23 H new ATOM 1261 N LYS A 82 -6.317 -10.630 -3.830 1.00 0.59 N ATOM 1262 CA LYS A 82 -6.075 -12.071 -3.541 1.00 0.80 C ATOM 1263 C LYS A 82 -4.601 -12.400 -3.776 1.00 0.76 C ATOM 1264 O LYS A 82 -4.199 -13.545 -3.711 1.00 0.93 O ATOM 1265 CB LYS A 82 -6.944 -12.926 -4.462 1.00 0.88 C ATOM 1266 CG LYS A 82 -7.267 -14.246 -3.757 1.00 1.65 C ATOM 1267 CD LYS A 82 -7.532 -15.323 -4.808 1.00 2.06 C ATOM 1268 CE LYS A 82 -7.969 -16.611 -4.107 1.00 3.10 C ATOM 1269 NZ LYS A 82 -7.727 -17.790 -4.986 1.00 3.65 N ATOM 0 H LYS A 82 -6.703 -10.086 -3.059 1.00 0.59 H new ATOM 0 HA LYS A 82 -6.330 -12.281 -2.502 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -7.864 -12.397 -4.710 1.00 0.88 H new ATOM 0 HB3 LYS A 82 -6.423 -13.118 -5.400 1.00 0.88 H new ATOM 0 HG2 LYS A 82 -6.437 -14.543 -3.116 1.00 1.65 H new ATOM 0 HG3 LYS A 82 -8.139 -14.125 -3.114 1.00 1.65 H new ATOM 0 HD2 LYS A 82 -8.306 -14.991 -5.500 1.00 2.06 H new ATOM 0 HD3 LYS A 82 -6.633 -15.502 -5.397 1.00 2.06 H new ATOM 0 HE2 LYS A 82 -7.420 -16.728 -3.172 1.00 3.10 H new ATOM 0 HE3 LYS A 82 -9.027 -16.552 -3.851 1.00 3.10 H new ATOM 0 HZ1 LYS A 82 -8.029 -18.656 -4.496 1.00 3.65 H new ATOM 0 HZ2 LYS A 82 -8.270 -17.684 -5.867 1.00 3.65 H new ATOM 0 HZ3 LYS A 82 -6.713 -17.854 -5.210 1.00 3.65 H new ATOM 1283 N GLY A 83 -3.827 -11.377 -4.047 1.00 0.60 N ATOM 1284 CA GLY A 83 -2.368 -11.591 -4.290 1.00 0.63 C ATOM 1285 C GLY A 83 -2.025 -11.355 -5.762 1.00 0.49 C ATOM 1286 O GLY A 83 -0.952 -11.704 -6.211 1.00 0.59 O ATOM 0 H GLY A 83 -4.141 -10.409 -4.110 1.00 0.60 H new ATOM 0 HA2 GLY A 83 -1.787 -10.915 -3.663 1.00 0.63 H new ATOM 0 HA3 GLY A 83 -2.092 -12.606 -4.005 1.00 0.63 H new ATOM 1290 N GLN A 84 -2.950 -10.763 -6.481 1.00 0.29 N ATOM 1291 CA GLN A 84 -2.705 -10.490 -7.934 1.00 0.24 C ATOM 1292 C GLN A 84 -2.769 -8.983 -8.206 1.00 0.24 C ATOM 1293 O GLN A 84 -3.783 -8.352 -7.983 1.00 0.32 O ATOM 1294 CB GLN A 84 -3.770 -11.204 -8.764 1.00 0.32 C ATOM 1295 CG GLN A 84 -3.816 -12.680 -8.361 1.00 1.06 C ATOM 1296 CD GLN A 84 -4.319 -13.512 -9.544 1.00 0.87 C ATOM 1297 OE1 GLN A 84 -5.473 -13.446 -9.918 1.00 1.34 O ATOM 1298 NE2 GLN A 84 -3.488 -14.310 -10.158 1.00 1.49 N ATOM 0 H GLN A 84 -3.857 -10.459 -6.128 1.00 0.29 H new ATOM 0 HA GLN A 84 -1.715 -10.856 -8.207 1.00 0.24 H new ATOM 0 HB2 GLN A 84 -4.744 -10.741 -8.605 1.00 0.32 H new ATOM 0 HB3 GLN A 84 -3.543 -11.111 -9.826 1.00 0.32 H new ATOM 0 HG2 GLN A 84 -2.824 -13.018 -8.060 1.00 1.06 H new ATOM 0 HG3 GLN A 84 -4.473 -12.814 -7.502 1.00 1.06 H new ATOM 0 HE21 GLN A 84 -2.518 -14.371 -9.850 1.00 1.49 H new ATOM 0 HE22 GLN A 84 -3.809 -14.873 -10.946 1.00 1.49 H new ATOM 1307 N LYS A 85 -1.683 -8.442 -8.685 1.00 0.22 N ATOM 1308 CA LYS A 85 -1.660 -6.982 -8.976 1.00 0.22 C ATOM 1309 C LYS A 85 -2.648 -6.658 -10.103 1.00 0.22 C ATOM 1310 O LYS A 85 -2.646 -7.304 -11.131 1.00 0.32 O ATOM 1311 CB LYS A 85 -0.242 -6.590 -9.400 1.00 0.23 C ATOM 1312 CG LYS A 85 -0.108 -5.064 -9.430 1.00 0.22 C ATOM 1313 CD LYS A 85 1.373 -4.693 -9.329 1.00 0.28 C ATOM 1314 CE LYS A 85 2.128 -5.294 -10.518 1.00 0.36 C ATOM 1315 NZ LYS A 85 3.488 -4.698 -10.627 1.00 0.92 N ATOM 0 H LYS A 85 -0.818 -8.943 -8.886 1.00 0.22 H new ATOM 0 HA LYS A 85 -1.950 -6.423 -8.087 1.00 0.22 H new ATOM 0 HB2 LYS A 85 0.484 -7.014 -8.706 1.00 0.23 H new ATOM 0 HB3 LYS A 85 -0.021 -7.002 -10.384 1.00 0.23 H new ATOM 0 HG2 LYS A 85 -0.534 -4.667 -10.351 1.00 0.22 H new ATOM 0 HG3 LYS A 85 -0.665 -4.621 -8.604 1.00 0.22 H new ATOM 0 HD2 LYS A 85 1.488 -3.609 -9.321 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.790 -5.065 -8.393 1.00 0.28 H new ATOM 0 HE2 LYS A 85 2.207 -6.375 -10.398 1.00 0.36 H new ATOM 0 HE3 LYS A 85 1.571 -5.115 -11.438 1.00 0.36 H new ATOM 0 HZ1 LYS A 85 3.986 -5.116 -11.438 1.00 0.92 H new ATOM 0 HZ2 LYS A 85 3.407 -3.670 -10.763 1.00 0.92 H new ATOM 0 HZ3 LYS A 85 4.022 -4.890 -9.756 1.00 0.92 H new ATOM 1329 N VAL A 86 -3.468 -5.659 -9.879 1.00 0.16 N ATOM 1330 CA VAL A 86 -4.478 -5.276 -10.919 1.00 0.15 C ATOM 1331 C VAL A 86 -4.321 -3.801 -11.314 1.00 0.19 C ATOM 1332 O VAL A 86 -4.697 -3.407 -12.400 1.00 0.24 O ATOM 1333 CB VAL A 86 -5.878 -5.501 -10.352 1.00 0.21 C ATOM 1334 CG1 VAL A 86 -6.190 -6.999 -10.362 1.00 0.18 C ATOM 1335 CG2 VAL A 86 -5.924 -4.988 -8.912 1.00 0.35 C ATOM 0 H VAL A 86 -3.483 -5.096 -9.029 1.00 0.16 H new ATOM 0 HA VAL A 86 -4.323 -5.889 -11.807 1.00 0.15 H new ATOM 0 HB VAL A 86 -6.611 -4.968 -10.957 1.00 0.21 H new ATOM 0 HG11 VAL A 86 -7.189 -7.165 -9.958 1.00 0.18 H new ATOM 0 HG12 VAL A 86 -6.145 -7.373 -11.385 1.00 0.18 H new ATOM 0 HG13 VAL A 86 -5.459 -7.527 -9.750 1.00 0.18 H new ATOM 0 HG21 VAL A 86 -6.921 -5.146 -8.501 1.00 0.35 H new ATOM 0 HG22 VAL A 86 -5.194 -5.529 -8.310 1.00 0.35 H new ATOM 0 HG23 VAL A 86 -5.690 -3.924 -8.897 1.00 0.35 H new ATOM 1345 N GLY A 87 -3.771 -3.016 -10.427 1.00 0.21 N ATOM 1346 CA GLY A 87 -3.595 -1.568 -10.747 1.00 0.26 C ATOM 1347 C GLY A 87 -2.383 -0.997 -10.014 1.00 0.23 C ATOM 1348 O GLY A 87 -1.999 -1.487 -8.971 1.00 0.26 O ATOM 0 H GLY A 87 -3.440 -3.308 -9.507 1.00 0.21 H new ATOM 0 HA2 GLY A 87 -3.469 -1.441 -11.822 1.00 0.26 H new ATOM 0 HA3 GLY A 87 -4.491 -1.016 -10.463 1.00 0.26 H new ATOM 1352 N GLU A 88 -1.801 0.030 -10.575 1.00 0.22 N ATOM 1353 CA GLU A 88 -0.614 0.639 -9.909 1.00 0.20 C ATOM 1354 C GLU A 88 -0.295 2.017 -10.499 1.00 0.20 C ATOM 1355 O GLU A 88 -0.092 2.162 -11.688 1.00 0.20 O ATOM 1356 CB GLU A 88 0.593 -0.284 -10.093 1.00 0.19 C ATOM 1357 CG GLU A 88 0.719 -0.673 -11.571 1.00 0.95 C ATOM 1358 CD GLU A 88 2.120 -0.315 -12.070 1.00 1.02 C ATOM 1359 OE1 GLU A 88 2.259 0.806 -12.531 1.00 2.15 O ATOM 1360 OE2 GLU A 88 2.970 -1.182 -11.964 1.00 0.90 O ATOM 0 H GLU A 88 -2.090 0.467 -11.450 1.00 0.22 H new ATOM 0 HA GLU A 88 -0.837 0.764 -8.849 1.00 0.20 H new ATOM 0 HB2 GLU A 88 1.502 0.217 -9.759 1.00 0.19 H new ATOM 0 HB3 GLU A 88 0.478 -1.177 -9.479 1.00 0.19 H new ATOM 0 HG2 GLU A 88 0.538 -1.741 -11.695 1.00 0.95 H new ATOM 0 HG3 GLU A 88 -0.034 -0.152 -12.162 1.00 0.95 H new ATOM 1367 N PHE A 89 -0.259 2.999 -9.641 1.00 0.23 N ATOM 1368 CA PHE A 89 0.062 4.374 -10.096 1.00 0.23 C ATOM 1369 C PHE A 89 0.850 5.108 -9.003 1.00 0.22 C ATOM 1370 O PHE A 89 0.538 4.996 -7.831 1.00 0.20 O ATOM 1371 CB PHE A 89 -1.245 5.096 -10.388 1.00 0.27 C ATOM 1372 CG PHE A 89 -1.795 5.730 -9.108 1.00 0.24 C ATOM 1373 CD1 PHE A 89 -1.323 6.952 -8.664 1.00 0.21 C ATOM 1374 CD2 PHE A 89 -2.780 5.085 -8.380 1.00 0.27 C ATOM 1375 CE1 PHE A 89 -1.828 7.519 -7.510 1.00 0.20 C ATOM 1376 CE2 PHE A 89 -3.282 5.653 -7.227 1.00 0.26 C ATOM 1377 CZ PHE A 89 -2.807 6.869 -6.793 1.00 0.23 C ATOM 0 H PHE A 89 -0.439 2.904 -8.642 1.00 0.23 H new ATOM 0 HA PHE A 89 0.674 4.346 -10.997 1.00 0.23 H new ATOM 0 HB2 PHE A 89 -1.083 5.865 -11.143 1.00 0.27 H new ATOM 0 HB3 PHE A 89 -1.973 4.395 -10.797 1.00 0.27 H new ATOM 0 HD1 PHE A 89 -0.555 7.466 -9.223 1.00 0.21 H new ATOM 0 HD2 PHE A 89 -3.158 4.131 -8.717 1.00 0.27 H new ATOM 0 HE1 PHE A 89 -1.454 8.473 -7.170 1.00 0.20 H new ATOM 0 HE2 PHE A 89 -4.049 5.142 -6.664 1.00 0.26 H new ATOM 0 HZ PHE A 89 -3.202 7.313 -5.891 1.00 0.23 H new ATOM 1387 N SER A 90 1.858 5.839 -9.410 1.00 0.25 N ATOM 1388 CA SER A 90 2.689 6.576 -8.406 1.00 0.25 C ATOM 1389 C SER A 90 2.381 8.074 -8.440 1.00 0.26 C ATOM 1390 O SER A 90 1.715 8.553 -9.337 1.00 0.28 O ATOM 1391 CB SER A 90 4.167 6.356 -8.726 1.00 0.34 C ATOM 1392 OG SER A 90 4.333 6.932 -10.014 1.00 0.33 O ATOM 0 H SER A 90 2.140 5.957 -10.383 1.00 0.25 H new ATOM 0 HA SER A 90 2.456 6.198 -7.411 1.00 0.25 H new ATOM 0 HB2 SER A 90 4.810 6.837 -7.989 1.00 0.34 H new ATOM 0 HB3 SER A 90 4.421 5.296 -8.728 1.00 0.34 H new ATOM 0 HG SER A 90 5.266 6.835 -10.298 1.00 0.33 H new ATOM 1398 N GLY A 91 2.881 8.778 -7.452 1.00 0.27 N ATOM 1399 CA GLY A 91 2.639 10.252 -7.388 1.00 0.32 C ATOM 1400 C GLY A 91 1.959 10.621 -6.069 1.00 0.31 C ATOM 1401 O GLY A 91 1.099 9.908 -5.590 1.00 0.27 O ATOM 0 H GLY A 91 3.443 8.397 -6.691 1.00 0.27 H new ATOM 0 HA2 GLY A 91 3.584 10.787 -7.480 1.00 0.32 H new ATOM 0 HA3 GLY A 91 2.015 10.562 -8.226 1.00 0.32 H new ATOM 1405 N ALA A 92 2.357 11.730 -5.510 1.00 0.36 N ATOM 1406 CA ALA A 92 1.742 12.159 -4.221 1.00 0.38 C ATOM 1407 C ALA A 92 0.370 12.792 -4.475 1.00 0.37 C ATOM 1408 O ALA A 92 0.256 13.993 -4.626 1.00 0.45 O ATOM 1409 CB ALA A 92 2.657 13.179 -3.543 1.00 0.41 C ATOM 0 H ALA A 92 3.073 12.352 -5.884 1.00 0.36 H new ATOM 0 HA ALA A 92 1.615 11.289 -3.577 1.00 0.38 H new ATOM 0 HB1 ALA A 92 2.212 13.496 -2.600 1.00 0.41 H new ATOM 0 HB2 ALA A 92 3.629 12.725 -3.351 1.00 0.41 H new ATOM 0 HB3 ALA A 92 2.783 14.044 -4.194 1.00 0.41 H new ATOM 1415 N ASN A 93 -0.639 11.966 -4.520 1.00 0.63 N ATOM 1416 CA ASN A 93 -2.015 12.495 -4.761 1.00 0.64 C ATOM 1417 C ASN A 93 -3.023 11.741 -3.888 1.00 0.68 C ATOM 1418 O ASN A 93 -2.975 10.531 -3.785 1.00 0.66 O ATOM 1419 CB ASN A 93 -2.374 12.311 -6.234 1.00 0.67 C ATOM 1420 CG ASN A 93 -3.469 13.310 -6.614 1.00 0.74 C ATOM 1421 OD1 ASN A 93 -3.422 13.934 -7.655 1.00 0.90 O ATOM 1422 ND2 ASN A 93 -4.471 13.491 -5.799 1.00 0.71 N ATOM 0 H ASN A 93 -0.574 10.955 -4.402 1.00 0.63 H new ATOM 0 HA ASN A 93 -2.046 13.554 -4.505 1.00 0.64 H new ATOM 0 HB2 ASN A 93 -1.493 12.464 -6.857 1.00 0.67 H new ATOM 0 HB3 ASN A 93 -2.717 11.292 -6.412 1.00 0.67 H new ATOM 0 HD21 ASN A 93 -5.209 14.153 -6.037 1.00 0.71 H new ATOM 0 HD22 ASN A 93 -4.517 12.970 -4.923 1.00 0.71 H new ATOM 1429 N LYS A 94 -3.915 12.477 -3.282 1.00 0.77 N ATOM 1430 CA LYS A 94 -4.934 11.828 -2.402 1.00 0.85 C ATOM 1431 C LYS A 94 -6.276 11.722 -3.130 1.00 0.74 C ATOM 1432 O LYS A 94 -6.854 10.657 -3.218 1.00 0.67 O ATOM 1433 CB LYS A 94 -5.109 12.672 -1.139 1.00 1.08 C ATOM 1434 CG LYS A 94 -3.737 13.144 -0.650 1.00 0.40 C ATOM 1435 CD LYS A 94 -3.529 14.604 -1.072 1.00 0.86 C ATOM 1436 CE LYS A 94 -2.135 15.066 -0.633 1.00 0.59 C ATOM 1437 NZ LYS A 94 -1.431 15.742 -1.760 1.00 1.95 N ATOM 0 H LYS A 94 -3.984 13.492 -3.356 1.00 0.77 H new ATOM 0 HA LYS A 94 -4.595 10.825 -2.141 1.00 0.85 H new ATOM 0 HB2 LYS A 94 -5.748 13.530 -1.347 1.00 1.08 H new ATOM 0 HB3 LYS A 94 -5.603 12.087 -0.363 1.00 1.08 H new ATOM 0 HG2 LYS A 94 -3.673 13.053 0.434 1.00 0.40 H new ATOM 0 HG3 LYS A 94 -2.952 12.516 -1.070 1.00 0.40 H new ATOM 0 HD2 LYS A 94 -3.633 14.700 -2.153 1.00 0.86 H new ATOM 0 HD3 LYS A 94 -4.293 15.237 -0.621 1.00 0.86 H new ATOM 0 HE2 LYS A 94 -2.221 15.749 0.212 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -1.552 14.210 -0.293 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -0.488 16.049 -1.446 1.00 1.95 H new ATOM 0 HZ2 LYS A 94 -1.332 15.079 -2.555 1.00 1.95 H new ATOM 0 HZ3 LYS A 94 -1.981 16.570 -2.066 1.00 1.95 H new ATOM 1451 N GLU A 95 -6.743 12.829 -3.634 1.00 0.76 N ATOM 1452 CA GLU A 95 -8.044 12.811 -4.353 1.00 0.72 C ATOM 1453 C GLU A 95 -8.044 11.701 -5.405 1.00 0.54 C ATOM 1454 O GLU A 95 -9.078 11.344 -5.934 1.00 0.59 O ATOM 1455 CB GLU A 95 -8.262 14.161 -5.036 1.00 0.75 C ATOM 1456 CG GLU A 95 -8.247 15.269 -3.979 1.00 0.60 C ATOM 1457 CD GLU A 95 -7.351 16.413 -4.459 1.00 1.48 C ATOM 1458 OE1 GLU A 95 -6.149 16.252 -4.323 1.00 2.52 O ATOM 1459 OE2 GLU A 95 -7.919 17.381 -4.935 1.00 1.65 O ATOM 0 H GLU A 95 -6.284 13.738 -3.580 1.00 0.76 H new ATOM 0 HA GLU A 95 -8.847 12.625 -3.639 1.00 0.72 H new ATOM 0 HB2 GLU A 95 -7.482 14.338 -5.776 1.00 0.75 H new ATOM 0 HB3 GLU A 95 -9.213 14.163 -5.569 1.00 0.75 H new ATOM 0 HG2 GLU A 95 -9.259 15.634 -3.803 1.00 0.60 H new ATOM 0 HG3 GLU A 95 -7.880 14.878 -3.030 1.00 0.60 H new ATOM 1466 N LYS A 96 -6.882 11.179 -5.687 1.00 0.40 N ATOM 1467 CA LYS A 96 -6.796 10.093 -6.707 1.00 0.24 C ATOM 1468 C LYS A 96 -7.088 8.737 -6.046 1.00 0.22 C ATOM 1469 O LYS A 96 -7.926 7.991 -6.507 1.00 0.22 O ATOM 1470 CB LYS A 96 -5.386 10.089 -7.315 1.00 0.23 C ATOM 1471 CG LYS A 96 -5.319 9.090 -8.486 1.00 0.28 C ATOM 1472 CD LYS A 96 -5.756 9.792 -9.777 1.00 0.82 C ATOM 1473 CE LYS A 96 -4.523 10.364 -10.478 1.00 0.60 C ATOM 1474 NZ LYS A 96 -3.862 9.316 -11.303 1.00 1.10 N ATOM 0 H LYS A 96 -5.996 11.453 -5.261 1.00 0.40 H new ATOM 0 HA LYS A 96 -7.531 10.265 -7.493 1.00 0.24 H new ATOM 0 HB2 LYS A 96 -5.129 11.089 -7.664 1.00 0.23 H new ATOM 0 HB3 LYS A 96 -4.654 9.819 -6.554 1.00 0.23 H new ATOM 0 HG2 LYS A 96 -4.305 8.705 -8.593 1.00 0.28 H new ATOM 0 HG3 LYS A 96 -5.965 8.235 -8.287 1.00 0.28 H new ATOM 0 HD2 LYS A 96 -6.269 9.088 -10.433 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -6.463 10.590 -9.550 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -4.813 11.204 -11.110 1.00 0.60 H new ATOM 0 HE3 LYS A 96 -3.822 10.749 -9.738 1.00 0.60 H new ATOM 0 HZ1 LYS A 96 -3.026 9.720 -11.773 1.00 1.10 H new ATOM 0 HZ2 LYS A 96 -3.568 8.527 -10.692 1.00 1.10 H new ATOM 0 HZ3 LYS A 96 -4.529 8.968 -12.021 1.00 1.10 H new ATOM 1488 N LEU A 97 -6.389 8.447 -4.980 1.00 0.21 N ATOM 1489 CA LEU A 97 -6.620 7.139 -4.285 1.00 0.20 C ATOM 1490 C LEU A 97 -8.121 6.895 -4.106 1.00 0.19 C ATOM 1491 O LEU A 97 -8.598 5.796 -4.300 1.00 0.19 O ATOM 1492 CB LEU A 97 -5.953 7.162 -2.901 1.00 0.16 C ATOM 1493 CG LEU A 97 -4.418 7.279 -3.039 1.00 0.31 C ATOM 1494 CD1 LEU A 97 -3.829 7.763 -1.699 1.00 0.29 C ATOM 1495 CD2 LEU A 97 -3.815 5.900 -3.379 1.00 0.43 C ATOM 0 H LEU A 97 -5.677 9.047 -4.563 1.00 0.21 H new ATOM 0 HA LEU A 97 -6.191 6.342 -4.892 1.00 0.20 H new ATOM 0 HB2 LEU A 97 -6.336 8.001 -2.320 1.00 0.16 H new ATOM 0 HB3 LEU A 97 -6.206 6.254 -2.354 1.00 0.16 H new ATOM 0 HG LEU A 97 -4.181 7.985 -3.834 1.00 0.31 H new ATOM 0 HD11 LEU A 97 -2.746 7.848 -1.787 1.00 0.29 H new ATOM 0 HD12 LEU A 97 -4.250 8.736 -1.447 1.00 0.29 H new ATOM 0 HD13 LEU A 97 -4.074 7.047 -0.914 1.00 0.29 H new ATOM 0 HD21 LEU A 97 -2.733 5.990 -3.475 1.00 0.43 H new ATOM 0 HD22 LEU A 97 -4.052 5.193 -2.584 1.00 0.43 H new ATOM 0 HD23 LEU A 97 -4.234 5.541 -4.319 1.00 0.43 H new ATOM 1507 N GLU A 98 -8.832 7.921 -3.733 1.00 0.36 N ATOM 1508 CA GLU A 98 -10.302 7.758 -3.530 1.00 0.35 C ATOM 1509 C GLU A 98 -10.948 7.166 -4.782 1.00 0.29 C ATOM 1510 O GLU A 98 -11.377 6.030 -4.787 1.00 0.26 O ATOM 1511 CB GLU A 98 -10.921 9.132 -3.221 1.00 0.40 C ATOM 1512 CG GLU A 98 -12.453 9.012 -3.115 1.00 0.57 C ATOM 1513 CD GLU A 98 -12.821 7.954 -2.070 1.00 1.42 C ATOM 1514 OE1 GLU A 98 -12.368 8.119 -0.949 1.00 1.92 O ATOM 1515 OE2 GLU A 98 -13.535 7.040 -2.453 1.00 2.70 O ATOM 0 H GLU A 98 -8.466 8.857 -3.561 1.00 0.36 H new ATOM 0 HA GLU A 98 -10.478 7.078 -2.696 1.00 0.35 H new ATOM 0 HB2 GLU A 98 -10.514 9.521 -2.288 1.00 0.40 H new ATOM 0 HB3 GLU A 98 -10.658 9.842 -4.005 1.00 0.40 H new ATOM 0 HG2 GLU A 98 -12.884 9.974 -2.839 1.00 0.57 H new ATOM 0 HG3 GLU A 98 -12.873 8.741 -4.083 1.00 0.57 H new ATOM 1522 N ALA A 99 -11.003 7.949 -5.810 1.00 0.30 N ATOM 1523 CA ALA A 99 -11.626 7.456 -7.075 1.00 0.25 C ATOM 1524 C ALA A 99 -10.981 6.134 -7.501 1.00 0.20 C ATOM 1525 O ALA A 99 -11.662 5.209 -7.901 1.00 0.12 O ATOM 1526 CB ALA A 99 -11.430 8.500 -8.174 1.00 0.30 C ATOM 0 H ALA A 99 -10.648 8.905 -5.839 1.00 0.30 H new ATOM 0 HA ALA A 99 -12.691 7.291 -6.909 1.00 0.25 H new ATOM 0 HB1 ALA A 99 -11.883 8.144 -9.099 1.00 0.30 H new ATOM 0 HB2 ALA A 99 -11.902 9.436 -7.875 1.00 0.30 H new ATOM 0 HB3 ALA A 99 -10.364 8.666 -8.333 1.00 0.30 H new ATOM 1532 N THR A 100 -9.683 6.071 -7.409 1.00 0.26 N ATOM 1533 CA THR A 100 -8.984 4.815 -7.802 1.00 0.21 C ATOM 1534 C THR A 100 -9.576 3.629 -7.041 1.00 0.20 C ATOM 1535 O THR A 100 -9.854 2.597 -7.614 1.00 0.16 O ATOM 1536 CB THR A 100 -7.496 4.942 -7.476 1.00 0.22 C ATOM 1537 OG1 THR A 100 -7.136 6.242 -7.927 1.00 0.24 O ATOM 1538 CG2 THR A 100 -6.657 3.977 -8.309 1.00 0.26 C ATOM 0 H THR A 100 -9.080 6.826 -7.082 1.00 0.26 H new ATOM 0 HA THR A 100 -9.112 4.650 -8.872 1.00 0.21 H new ATOM 0 HB THR A 100 -7.328 4.747 -6.417 1.00 0.22 H new ATOM 0 HG1 THR A 100 -7.503 6.914 -7.315 1.00 0.24 H new ATOM 0 HG21 THR A 100 -5.604 4.094 -8.051 1.00 0.26 H new ATOM 0 HG22 THR A 100 -6.969 2.953 -8.103 1.00 0.26 H new ATOM 0 HG23 THR A 100 -6.798 4.193 -9.368 1.00 0.26 H new ATOM 1546 N ILE A 101 -9.752 3.800 -5.761 1.00 0.22 N ATOM 1547 CA ILE A 101 -10.336 2.693 -4.956 1.00 0.21 C ATOM 1548 C ILE A 101 -11.698 2.331 -5.523 1.00 0.15 C ATOM 1549 O ILE A 101 -12.013 1.174 -5.714 1.00 0.19 O ATOM 1550 CB ILE A 101 -10.480 3.148 -3.500 1.00 0.28 C ATOM 1551 CG1 ILE A 101 -9.167 2.878 -2.759 1.00 0.26 C ATOM 1552 CG2 ILE A 101 -11.611 2.368 -2.825 1.00 0.34 C ATOM 1553 CD1 ILE A 101 -8.999 3.912 -1.646 1.00 0.76 C ATOM 0 H ILE A 101 -9.520 4.647 -5.243 1.00 0.22 H new ATOM 0 HA ILE A 101 -9.685 1.820 -4.995 1.00 0.21 H new ATOM 0 HB ILE A 101 -10.710 4.213 -3.472 1.00 0.28 H new ATOM 0 HG12 ILE A 101 -9.172 1.872 -2.340 1.00 0.26 H new ATOM 0 HG13 ILE A 101 -8.327 2.931 -3.451 1.00 0.26 H new ATOM 0 HG21 ILE A 101 -11.711 2.694 -1.790 1.00 0.34 H new ATOM 0 HG22 ILE A 101 -12.546 2.551 -3.355 1.00 0.34 H new ATOM 0 HG23 ILE A 101 -11.383 1.302 -2.849 1.00 0.34 H new ATOM 0 HD11 ILE A 101 -8.066 3.726 -1.114 1.00 0.76 H new ATOM 0 HD12 ILE A 101 -8.976 4.912 -2.079 1.00 0.76 H new ATOM 0 HD13 ILE A 101 -9.835 3.837 -0.950 1.00 0.76 H new ATOM 1565 N ASN A 102 -12.473 3.333 -5.785 1.00 0.11 N ATOM 1566 CA ASN A 102 -13.819 3.083 -6.356 1.00 0.08 C ATOM 1567 C ASN A 102 -13.670 2.404 -7.715 1.00 0.08 C ATOM 1568 O ASN A 102 -14.625 1.899 -8.273 1.00 0.06 O ATOM 1569 CB ASN A 102 -14.546 4.415 -6.520 1.00 0.19 C ATOM 1570 CG ASN A 102 -15.308 4.415 -7.844 1.00 1.21 C ATOM 1571 OD1 ASN A 102 -16.515 4.279 -7.881 1.00 1.30 O ATOM 1572 ND2 ASN A 102 -14.641 4.562 -8.954 1.00 2.64 N ATOM 0 H ASN A 102 -12.237 4.313 -5.630 1.00 0.11 H new ATOM 0 HA ASN A 102 -14.392 2.436 -5.692 1.00 0.08 H new ATOM 0 HB2 ASN A 102 -15.236 4.570 -5.690 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.831 5.238 -6.499 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -15.132 4.563 -9.848 1.00 2.64 H new ATOM 0 HD22 ASN A 102 -13.628 4.677 -8.929 1.00 2.64 H new ATOM 1579 N GLU A 103 -12.465 2.410 -8.221 1.00 0.15 N ATOM 1580 CA GLU A 103 -12.225 1.770 -9.541 1.00 0.20 C ATOM 1581 C GLU A 103 -12.164 0.247 -9.393 1.00 0.23 C ATOM 1582 O GLU A 103 -12.792 -0.471 -10.145 1.00 0.21 O ATOM 1583 CB GLU A 103 -10.903 2.280 -10.110 1.00 0.34 C ATOM 1584 CG GLU A 103 -10.961 2.222 -11.638 1.00 0.41 C ATOM 1585 CD GLU A 103 -11.551 3.528 -12.173 1.00 1.48 C ATOM 1586 OE1 GLU A 103 -12.713 3.758 -11.876 1.00 2.52 O ATOM 1587 OE2 GLU A 103 -10.809 4.221 -12.848 1.00 1.58 O ATOM 0 H GLU A 103 -11.645 2.827 -7.780 1.00 0.15 H new ATOM 0 HA GLU A 103 -13.044 2.023 -10.214 1.00 0.20 H new ATOM 0 HB2 GLU A 103 -10.720 3.302 -9.779 1.00 0.34 H new ATOM 0 HB3 GLU A 103 -10.076 1.673 -9.742 1.00 0.34 H new ATOM 0 HG2 GLU A 103 -9.962 2.067 -12.045 1.00 0.41 H new ATOM 0 HG3 GLU A 103 -11.570 1.377 -11.958 1.00 0.41 H new ATOM 1594 N LEU A 104 -11.408 -0.219 -8.424 1.00 0.30 N ATOM 1595 CA LEU A 104 -11.294 -1.702 -8.235 1.00 0.40 C ATOM 1596 C LEU A 104 -12.186 -2.180 -7.080 1.00 0.39 C ATOM 1597 O LEU A 104 -12.260 -3.362 -6.806 1.00 0.46 O ATOM 1598 CB LEU A 104 -9.839 -2.067 -7.926 1.00 0.50 C ATOM 1599 CG LEU A 104 -8.897 -1.358 -8.908 1.00 0.52 C ATOM 1600 CD1 LEU A 104 -7.485 -1.927 -8.729 1.00 0.60 C ATOM 1601 CD2 LEU A 104 -9.363 -1.608 -10.350 1.00 0.51 C ATOM 0 H LEU A 104 -10.875 0.351 -7.768 1.00 0.30 H new ATOM 0 HA LEU A 104 -11.619 -2.190 -9.154 1.00 0.40 H new ATOM 0 HB2 LEU A 104 -9.593 -1.780 -6.903 1.00 0.50 H new ATOM 0 HB3 LEU A 104 -9.704 -3.146 -7.996 1.00 0.50 H new ATOM 0 HG LEU A 104 -8.901 -0.286 -8.712 1.00 0.52 H new ATOM 0 HD11 LEU A 104 -6.803 -1.433 -9.421 1.00 0.60 H new ATOM 0 HD12 LEU A 104 -7.151 -1.756 -7.706 1.00 0.60 H new ATOM 0 HD13 LEU A 104 -7.496 -2.998 -8.933 1.00 0.60 H new ATOM 0 HD21 LEU A 104 -8.690 -1.102 -11.043 1.00 0.51 H new ATOM 0 HD22 LEU A 104 -9.356 -2.679 -10.554 1.00 0.51 H new ATOM 0 HD23 LEU A 104 -10.374 -1.221 -10.478 1.00 0.51 H new ATOM 1613 N VAL A 105 -12.845 -1.263 -6.426 1.00 0.32 N ATOM 1614 CA VAL A 105 -13.727 -1.676 -5.293 1.00 0.35 C ATOM 1615 C VAL A 105 -14.614 -2.850 -5.720 1.00 0.46 C ATOM 1616 O VAL A 105 -14.830 -3.701 -4.874 1.00 1.28 O ATOM 1617 CB VAL A 105 -14.606 -0.499 -4.880 1.00 0.27 C ATOM 1618 CG1 VAL A 105 -15.636 -0.231 -5.980 1.00 0.32 C ATOM 1619 CG2 VAL A 105 -15.336 -0.839 -3.579 1.00 0.31 C ATOM 1620 OXT VAL A 105 -15.026 -2.827 -6.868 1.00 1.31 O ATOM 0 H VAL A 105 -12.814 -0.262 -6.621 1.00 0.32 H new ATOM 0 HA VAL A 105 -13.107 -1.985 -4.451 1.00 0.35 H new ATOM 0 HB VAL A 105 -13.986 0.385 -4.730 1.00 0.27 H new ATOM 0 HG11 VAL A 105 -16.267 0.609 -5.691 1.00 0.32 H new ATOM 0 HG12 VAL A 105 -15.121 0.006 -6.911 1.00 0.32 H new ATOM 0 HG13 VAL A 105 -16.254 -1.117 -6.123 1.00 0.32 H new ATOM 0 HG21 VAL A 105 -15.964 0.002 -3.284 1.00 0.31 H new ATOM 0 HG22 VAL A 105 -15.958 -1.721 -3.731 1.00 0.31 H new ATOM 0 HG23 VAL A 105 -14.607 -1.040 -2.794 1.00 0.31 H new TER 1630 VAL A 105