USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 8 LYS NZ :NH3+ 163:sc= -1.26 (180deg=-0.0854) USER MOD Set 1.2: A 12 GLN : amide:sc= -1.16 K(o=-2.4,f=-6.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.222 (180deg=-0.907!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 147:sc= -0.651! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= -1.28 (180deg=-2.31) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= -1.06 (180deg=-2.85!) USER MOD Single : A 43 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-0.054) USER MOD Single : A 44 SER OG : rot 151:sc= 0.913 USER MOD Single : A 46 SER OG : rot 106:sc= 0.294 USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.0511 (180deg=-0.568) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.8!) USER MOD Single : A 63 GLN : amide:sc= -0.884 K(o=-0.88,f=0) USER MOD Single : A 67 SER OG : rot 95:sc= 1.02 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0818) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.738 USER MOD Single : A 76 THR OG1 : rot -55:sc= -0.329 USER MOD Single : A 78 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.2!) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= 0.0991 (180deg=-0.0111) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -4.43! K(o=-4.4!,f=-0.82) USER MOD Single : A 85 LYS NZ :NH3+ -120:sc= -1.07 (180deg=-3.01!) USER MOD Single : A 90 SER OG : rot 136:sc= 1.05 USER MOD Single : A 93 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.5!) 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 71:sc= 0.0172 USER MOD Single : A 102 ASN : amide:sc= -1.66 X(o=-1.7,f=-2.1!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot -3:sc= -6.17! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.575! C(o=-0.57!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.129 -3.780 8.362 1.00 0.73 N ATOM 2 CA MET A 1 -6.445 -2.560 8.875 1.00 0.31 C ATOM 3 C MET A 1 -5.120 -2.371 8.136 1.00 0.24 C ATOM 4 O MET A 1 -5.022 -2.609 6.948 1.00 0.21 O ATOM 5 CB MET A 1 -6.175 -2.717 10.373 1.00 0.70 C ATOM 6 CG MET A 1 -7.486 -3.029 11.099 1.00 1.55 C ATOM 7 SD MET A 1 -7.927 -4.764 10.833 1.00 2.25 S ATOM 8 CE MET A 1 -9.688 -4.611 11.222 1.00 2.89 C ATOM 0 H1 MET A 1 -8.087 -3.532 8.043 1.00 0.73 H new ATOM 0 H2 MET A 1 -6.589 -4.171 7.564 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.189 -4.489 9.120 1.00 0.73 H new ATOM 0 HA MET A 1 -7.081 -1.691 8.710 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.454 -3.517 10.541 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.735 -1.803 10.772 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.380 -2.829 12.165 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.281 -2.380 10.731 1.00 1.55 H new ATOM 0 HE1 MET A 1 -10.169 -5.584 11.120 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.805 -4.254 12.245 1.00 2.89 H new ATOM 0 HE3 MET A 1 -10.152 -3.903 10.535 1.00 2.89 H new ATOM 20 N VAL A 2 -4.096 -1.946 8.827 1.00 0.24 N ATOM 21 CA VAL A 2 -2.773 -1.744 8.164 1.00 0.19 C ATOM 22 C VAL A 2 -1.925 -3.005 8.341 1.00 0.22 C ATOM 23 O VAL A 2 -2.172 -3.812 9.214 1.00 0.28 O ATOM 24 CB VAL A 2 -2.056 -0.552 8.804 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.651 -0.426 8.215 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.842 0.730 8.517 1.00 0.30 C ATOM 0 H VAL A 2 -4.118 -1.729 9.824 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.922 -1.547 7.102 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.988 -0.706 9.881 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.140 0.422 8.670 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.089 -1.338 8.416 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.720 -0.272 7.138 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.332 1.579 8.972 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.909 0.882 7.440 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.845 0.643 8.934 1.00 0.30 H new ATOM 36 N LYS A 3 -0.924 -3.186 7.519 1.00 0.18 N ATOM 37 CA LYS A 3 -0.065 -4.402 7.645 1.00 0.22 C ATOM 38 C LYS A 3 1.315 -4.113 7.056 1.00 0.16 C ATOM 39 O LYS A 3 1.447 -3.737 5.907 1.00 0.13 O ATOM 40 CB LYS A 3 -0.711 -5.570 6.887 1.00 0.26 C ATOM 41 CG LYS A 3 -0.002 -6.896 7.231 1.00 0.34 C ATOM 42 CD LYS A 3 -0.965 -8.075 7.010 1.00 0.81 C ATOM 43 CE LYS A 3 -0.232 -9.414 7.209 1.00 1.37 C ATOM 44 NZ LYS A 3 -1.171 -10.404 7.811 1.00 1.97 N ATOM 0 H LYS A 3 -0.664 -2.547 6.768 1.00 0.18 H new ATOM 0 HA LYS A 3 0.036 -4.666 8.698 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.768 -5.638 7.145 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.656 -5.389 5.813 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.884 -7.017 6.608 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.336 -6.880 8.267 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.801 -8.005 7.706 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.382 -8.028 6.004 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.141 -9.783 6.254 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.633 -9.275 7.857 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.680 -11.310 7.947 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.506 -10.050 8.730 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.983 -10.543 7.176 1.00 1.97 H new ATOM 58 N GLN A 4 2.345 -4.278 7.840 1.00 0.18 N ATOM 59 CA GLN A 4 3.724 -4.009 7.342 1.00 0.15 C ATOM 60 C GLN A 4 4.310 -5.283 6.726 1.00 0.13 C ATOM 61 O GLN A 4 4.163 -6.369 7.250 1.00 0.14 O ATOM 62 CB GLN A 4 4.591 -3.553 8.519 1.00 0.20 C ATOM 63 CG GLN A 4 6.070 -3.529 8.115 1.00 0.21 C ATOM 64 CD GLN A 4 6.878 -2.790 9.183 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.710 -3.030 10.361 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.753 -1.893 8.818 1.00 0.98 N ATOM 0 H GLN A 4 2.290 -4.589 8.810 1.00 0.18 H new ATOM 0 HA GLN A 4 3.698 -3.231 6.579 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.280 -2.560 8.845 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.449 -4.225 9.365 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.443 -4.547 8.001 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.186 -3.036 7.150 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.894 -1.691 7.828 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.296 -1.394 9.523 1.00 0.98 H new ATOM 75 N ILE A 5 4.983 -5.143 5.615 1.00 0.10 N ATOM 76 CA ILE A 5 5.608 -6.315 4.929 1.00 0.10 C ATOM 77 C ILE A 5 7.130 -6.188 5.031 1.00 0.10 C ATOM 78 O ILE A 5 7.738 -5.437 4.294 1.00 0.11 O ATOM 79 CB ILE A 5 5.234 -6.283 3.450 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.712 -6.062 3.259 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.704 -7.563 2.750 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.860 -7.049 4.077 1.00 0.19 C ATOM 0 H ILE A 5 5.129 -4.250 5.144 1.00 0.10 H new ATOM 0 HA ILE A 5 5.263 -7.240 5.391 1.00 0.10 H new ATOM 0 HB ILE A 5 5.744 -5.437 2.989 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.458 -5.042 3.549 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.464 -6.164 2.202 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.429 -7.523 1.696 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.787 -7.650 2.839 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.231 -8.427 3.216 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.803 -6.847 3.904 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.090 -8.069 3.770 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.083 -6.930 5.137 1.00 0.19 H new ATOM 94 N GLU A 6 7.752 -6.905 5.921 1.00 0.11 N ATOM 95 CA GLU A 6 9.237 -6.809 6.047 1.00 0.14 C ATOM 96 C GLU A 6 9.884 -7.965 5.283 1.00 0.14 C ATOM 97 O GLU A 6 11.089 -8.030 5.140 1.00 0.17 O ATOM 98 CB GLU A 6 9.619 -6.902 7.520 1.00 0.18 C ATOM 99 CG GLU A 6 8.742 -5.957 8.338 1.00 0.31 C ATOM 100 CD GLU A 6 9.349 -5.764 9.729 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.425 -5.194 9.809 1.00 1.96 O ATOM 102 OE2 GLU A 6 8.728 -6.191 10.688 1.00 1.97 O ATOM 0 H GLU A 6 7.301 -7.553 6.567 1.00 0.11 H new ATOM 0 HA GLU A 6 9.582 -5.860 5.636 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.496 -7.926 7.874 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.670 -6.643 7.650 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.656 -4.996 7.832 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.734 -6.363 8.424 1.00 0.31 H new ATOM 109 N SER A 7 9.090 -8.878 4.786 1.00 0.13 N ATOM 110 CA SER A 7 9.655 -10.032 4.027 1.00 0.15 C ATOM 111 C SER A 7 8.621 -10.543 3.020 1.00 0.14 C ATOM 112 O SER A 7 7.430 -10.408 3.214 1.00 0.12 O ATOM 113 CB SER A 7 10.017 -11.153 4.999 1.00 0.20 C ATOM 114 OG SER A 7 8.867 -11.511 5.756 1.00 0.23 O ATOM 0 H SER A 7 8.074 -8.874 4.873 1.00 0.13 H new ATOM 0 HA SER A 7 10.549 -9.710 3.494 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.389 -12.019 4.451 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.817 -10.828 5.664 1.00 0.20 H new ATOM 0 HG SER A 7 9.097 -12.232 6.379 1.00 0.23 H new ATOM 120 N LYS A 8 9.073 -11.125 1.944 1.00 0.15 N ATOM 121 CA LYS A 8 8.126 -11.643 0.916 1.00 0.14 C ATOM 122 C LYS A 8 7.091 -12.566 1.571 1.00 0.14 C ATOM 123 O LYS A 8 5.994 -12.729 1.080 1.00 0.13 O ATOM 124 CB LYS A 8 8.904 -12.426 -0.143 1.00 0.17 C ATOM 125 CG LYS A 8 8.009 -12.668 -1.359 1.00 0.21 C ATOM 126 CD LYS A 8 8.714 -13.614 -2.334 1.00 0.22 C ATOM 127 CE LYS A 8 7.738 -14.045 -3.432 1.00 1.06 C ATOM 128 NZ LYS A 8 6.813 -15.086 -2.897 1.00 1.90 N ATOM 0 H LYS A 8 10.061 -11.265 1.731 1.00 0.15 H new ATOM 0 HA LYS A 8 7.611 -10.802 0.450 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.795 -11.872 -0.439 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.242 -13.377 0.268 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.058 -13.097 -1.044 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.784 -11.722 -1.852 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.578 -13.118 -2.776 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.087 -14.489 -1.801 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.169 -13.185 -3.785 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.287 -14.437 -4.288 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 5.987 -15.171 -3.523 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.308 -15.999 -2.851 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.498 -14.814 -1.944 1.00 1.90 H new ATOM 142 N THR A 9 7.432 -13.180 2.669 1.00 0.16 N ATOM 143 CA THR A 9 6.462 -14.096 3.335 1.00 0.18 C ATOM 144 C THR A 9 5.198 -13.325 3.727 1.00 0.16 C ATOM 145 O THR A 9 4.091 -13.774 3.503 1.00 0.17 O ATOM 146 CB THR A 9 7.102 -14.695 4.583 1.00 0.21 C ATOM 147 OG1 THR A 9 8.203 -15.509 4.205 1.00 0.24 O ATOM 148 CG2 THR A 9 6.072 -15.540 5.338 1.00 0.25 C ATOM 0 H THR A 9 8.336 -13.089 3.133 1.00 0.16 H new ATOM 0 HA THR A 9 6.192 -14.894 2.644 1.00 0.18 H new ATOM 0 HB THR A 9 7.450 -13.891 5.232 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.616 -15.893 5.006 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.534 -15.966 6.229 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.230 -14.912 5.630 1.00 0.25 H new ATOM 0 HG23 THR A 9 5.718 -16.344 4.693 1.00 0.25 H new ATOM 156 N ALA A 10 5.355 -12.173 4.315 1.00 0.16 N ATOM 157 CA ALA A 10 4.165 -11.374 4.728 1.00 0.17 C ATOM 158 C ALA A 10 3.448 -10.832 3.488 1.00 0.15 C ATOM 159 O ALA A 10 2.264 -10.565 3.514 1.00 0.17 O ATOM 160 CB ALA A 10 4.618 -10.207 5.610 1.00 0.20 C ATOM 0 H ALA A 10 6.257 -11.748 4.529 1.00 0.16 H new ATOM 0 HA ALA A 10 3.479 -12.010 5.288 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.750 -9.622 5.913 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.122 -10.594 6.496 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.305 -9.573 5.050 1.00 0.20 H new ATOM 166 N PHE A 11 4.155 -10.662 2.403 1.00 0.12 N ATOM 167 CA PHE A 11 3.508 -10.130 1.168 1.00 0.11 C ATOM 168 C PHE A 11 2.375 -11.056 0.733 1.00 0.13 C ATOM 169 O PHE A 11 1.217 -10.700 0.788 1.00 0.16 O ATOM 170 CB PHE A 11 4.541 -10.040 0.041 1.00 0.10 C ATOM 171 CG PHE A 11 3.868 -9.569 -1.231 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.408 -8.240 -1.335 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.703 -10.457 -2.312 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.785 -7.803 -2.521 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.079 -10.019 -3.496 1.00 0.18 C ATOM 176 CZ PHE A 11 2.621 -8.692 -3.600 1.00 0.21 C ATOM 0 H PHE A 11 5.150 -10.868 2.318 1.00 0.12 H new ATOM 0 HA PHE A 11 3.107 -9.139 1.380 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.338 -9.350 0.319 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.004 -11.014 -0.120 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.533 -7.558 -0.507 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.055 -11.475 -2.233 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.433 -6.785 -2.602 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.952 -10.701 -4.324 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.143 -8.356 -4.508 1.00 0.21 H new ATOM 186 N GLN A 12 2.702 -12.237 0.288 1.00 0.15 N ATOM 187 CA GLN A 12 1.643 -13.179 -0.169 1.00 0.19 C ATOM 188 C GLN A 12 0.615 -13.381 0.944 1.00 0.17 C ATOM 189 O GLN A 12 -0.577 -13.381 0.708 1.00 0.16 O ATOM 190 CB GLN A 12 2.276 -14.527 -0.523 1.00 0.24 C ATOM 191 CG GLN A 12 3.481 -14.305 -1.442 1.00 1.21 C ATOM 192 CD GLN A 12 4.085 -15.657 -1.828 1.00 1.77 C ATOM 193 OE1 GLN A 12 5.006 -16.126 -1.192 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.601 -16.304 -2.852 1.00 2.47 N ATOM 0 H GLN A 12 3.656 -12.590 0.221 1.00 0.15 H new ATOM 0 HA GLN A 12 1.149 -12.764 -1.047 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.589 -15.043 0.385 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.543 -15.166 -1.016 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.174 -13.763 -2.337 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.228 -13.692 -0.938 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.827 -15.909 -3.386 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.997 -17.205 -3.119 1.00 2.47 H new ATOM 203 N GLU A 13 1.064 -13.559 2.153 1.00 0.19 N ATOM 204 CA GLU A 13 0.112 -13.768 3.274 1.00 0.20 C ATOM 205 C GLU A 13 -0.832 -12.567 3.395 1.00 0.18 C ATOM 206 O GLU A 13 -1.995 -12.716 3.714 1.00 0.19 O ATOM 207 CB GLU A 13 0.898 -13.941 4.577 1.00 0.25 C ATOM 208 CG GLU A 13 1.454 -15.365 4.669 1.00 0.30 C ATOM 209 CD GLU A 13 2.341 -15.483 5.910 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.318 -14.570 6.719 1.00 2.10 O ATOM 211 OE2 GLU A 13 3.027 -16.485 6.032 1.00 2.03 O ATOM 0 H GLU A 13 2.050 -13.569 2.413 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.481 -14.662 3.081 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.714 -13.220 4.617 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.251 -13.738 5.431 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.637 -16.084 4.723 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.029 -15.602 3.774 1.00 0.30 H new ATOM 218 N ALA A 14 -0.350 -11.379 3.152 1.00 0.18 N ATOM 219 CA ALA A 14 -1.237 -10.186 3.266 1.00 0.18 C ATOM 220 C ALA A 14 -2.383 -10.294 2.252 1.00 0.18 C ATOM 221 O ALA A 14 -3.534 -10.075 2.575 1.00 0.19 O ATOM 222 CB ALA A 14 -0.423 -8.920 2.993 1.00 0.20 C ATOM 0 H ALA A 14 0.614 -11.183 2.881 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.654 -10.139 4.272 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -1.070 -8.047 3.076 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.385 -8.843 3.720 1.00 0.20 H new ATOM 0 HB3 ALA A 14 -0.004 -8.967 1.988 1.00 0.20 H new ATOM 228 N LEU A 15 -2.073 -10.626 1.029 1.00 0.17 N ATOM 229 CA LEU A 15 -3.134 -10.747 -0.017 1.00 0.18 C ATOM 230 C LEU A 15 -4.105 -11.874 0.351 1.00 0.18 C ATOM 231 O LEU A 15 -5.307 -11.698 0.340 1.00 0.18 O ATOM 232 CB LEU A 15 -2.482 -11.054 -1.372 1.00 0.19 C ATOM 233 CG LEU A 15 -1.198 -10.234 -1.528 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.657 -10.406 -2.950 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.501 -8.753 -1.277 1.00 0.62 C ATOM 0 H LEU A 15 -1.125 -10.820 0.705 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.684 -9.808 -0.080 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.256 -12.118 -1.444 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.174 -10.820 -2.180 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.456 -10.580 -0.808 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.257 -9.823 -3.064 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.442 -11.459 -3.132 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.401 -10.058 -3.667 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.586 -8.171 -1.388 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.242 -8.406 -1.997 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.890 -8.627 -0.267 1.00 0.62 H new ATOM 247 N ASP A 16 -3.594 -13.031 0.666 1.00 0.19 N ATOM 248 CA ASP A 16 -4.489 -14.167 1.023 1.00 0.21 C ATOM 249 C ASP A 16 -5.270 -13.832 2.295 1.00 0.20 C ATOM 250 O ASP A 16 -6.443 -14.127 2.410 1.00 0.20 O ATOM 251 CB ASP A 16 -3.647 -15.425 1.258 1.00 0.24 C ATOM 252 CG ASP A 16 -4.555 -16.656 1.259 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.397 -16.747 2.138 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.397 -17.486 0.380 1.00 1.09 O ATOM 0 H ASP A 16 -2.596 -13.239 0.692 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.190 -14.343 0.207 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.890 -15.519 0.479 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.119 -15.349 2.208 1.00 0.24 H new ATOM 259 N ALA A 17 -4.630 -13.222 3.254 1.00 0.22 N ATOM 260 CA ALA A 17 -5.338 -12.875 4.519 1.00 0.24 C ATOM 261 C ALA A 17 -6.175 -11.611 4.309 1.00 0.21 C ATOM 262 O ALA A 17 -7.055 -11.303 5.088 1.00 0.22 O ATOM 263 CB ALA A 17 -4.313 -12.629 5.627 1.00 0.30 C ATOM 0 H ALA A 17 -3.648 -12.949 3.217 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.992 -13.699 4.805 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.831 -12.375 6.552 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.719 -13.530 5.779 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.658 -11.806 5.341 1.00 0.30 H new ATOM 269 N ALA A 18 -5.909 -10.874 3.265 1.00 0.21 N ATOM 270 CA ALA A 18 -6.694 -9.631 3.012 1.00 0.22 C ATOM 271 C ALA A 18 -8.129 -9.998 2.629 1.00 0.21 C ATOM 272 O ALA A 18 -9.005 -9.158 2.598 1.00 0.24 O ATOM 273 CB ALA A 18 -6.044 -8.842 1.872 1.00 0.23 C ATOM 0 H ALA A 18 -5.184 -11.078 2.577 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.708 -9.021 3.915 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.616 -7.933 1.686 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.023 -8.578 2.148 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.029 -9.453 0.969 1.00 0.23 H new ATOM 279 N GLY A 19 -8.377 -11.247 2.341 1.00 0.22 N ATOM 280 CA GLY A 19 -9.758 -11.661 1.966 1.00 0.24 C ATOM 281 C GLY A 19 -10.037 -11.276 0.512 1.00 0.20 C ATOM 282 O GLY A 19 -9.399 -11.760 -0.401 1.00 0.28 O ATOM 0 H GLY A 19 -7.685 -11.996 2.349 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.873 -12.737 2.095 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.483 -11.182 2.624 1.00 0.24 H new ATOM 286 N ASP A 20 -10.992 -10.405 0.293 1.00 0.13 N ATOM 287 CA ASP A 20 -11.332 -9.976 -1.100 1.00 0.18 C ATOM 288 C ASP A 20 -11.503 -8.456 -1.138 1.00 0.15 C ATOM 289 O ASP A 20 -11.848 -7.889 -2.156 1.00 0.22 O ATOM 290 CB ASP A 20 -12.639 -10.645 -1.535 1.00 0.26 C ATOM 291 CG ASP A 20 -12.993 -10.206 -2.957 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.105 -9.739 -3.650 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.147 -10.344 -3.328 1.00 2.19 O ATOM 0 H ASP A 20 -11.554 -9.970 1.024 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.529 -10.270 -1.776 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.535 -11.729 -1.494 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.443 -10.375 -0.850 1.00 0.26 H new ATOM 298 N LYS A 21 -11.258 -7.785 -0.044 1.00 0.12 N ATOM 299 CA LYS A 21 -11.402 -6.306 -0.041 1.00 0.19 C ATOM 300 C LYS A 21 -10.305 -5.706 -0.910 1.00 0.15 C ATOM 301 O LYS A 21 -9.383 -6.382 -1.319 1.00 0.15 O ATOM 302 CB LYS A 21 -11.256 -5.786 1.388 1.00 0.27 C ATOM 303 CG LYS A 21 -12.560 -6.007 2.147 1.00 0.29 C ATOM 304 CD LYS A 21 -12.323 -5.731 3.633 1.00 0.30 C ATOM 305 CE LYS A 21 -13.659 -5.529 4.350 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.333 -6.846 4.526 1.00 1.90 N ATOM 0 H LYS A 21 -10.966 -8.197 0.842 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.381 -6.026 -0.430 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.438 -6.301 1.892 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.005 -4.725 1.376 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.337 -5.348 1.761 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.910 -7.029 2.005 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.782 -6.563 4.084 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.700 -4.844 3.751 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.496 -5.060 5.320 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.295 -4.857 3.774 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.241 -6.709 5.013 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.502 -7.277 3.595 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.727 -7.473 5.093 1.00 1.90 H new ATOM 320 N LEU A 22 -10.390 -4.441 -1.195 1.00 0.13 N ATOM 321 CA LEU A 22 -9.344 -3.814 -2.032 1.00 0.11 C ATOM 322 C LEU A 22 -8.022 -3.861 -1.250 1.00 0.10 C ATOM 323 O LEU A 22 -8.020 -4.034 -0.047 1.00 0.11 O ATOM 324 CB LEU A 22 -9.759 -2.358 -2.339 1.00 0.12 C ATOM 325 CG LEU A 22 -9.610 -2.009 -3.832 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.904 -0.511 -4.017 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.185 -2.311 -4.332 1.00 0.11 C ATOM 0 H LEU A 22 -11.136 -3.818 -0.885 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.219 -4.341 -2.978 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.794 -2.206 -2.034 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.149 -1.676 -1.746 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.310 -2.615 -4.408 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.803 -0.248 -5.070 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.920 -0.296 -3.685 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.198 0.074 -3.427 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -8.108 -2.055 -5.389 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.467 -1.721 -3.763 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.970 -3.371 -4.199 1.00 0.11 H new ATOM 339 N VAL A 23 -6.904 -3.712 -1.910 1.00 0.08 N ATOM 340 CA VAL A 23 -5.596 -3.754 -1.183 1.00 0.09 C ATOM 341 C VAL A 23 -4.623 -2.765 -1.820 1.00 0.08 C ATOM 342 O VAL A 23 -4.073 -3.015 -2.872 1.00 0.09 O ATOM 343 CB VAL A 23 -5.008 -5.165 -1.264 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.840 -5.286 -0.284 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.086 -6.187 -0.902 1.00 0.10 C ATOM 0 H VAL A 23 -6.837 -3.563 -2.917 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.757 -3.485 -0.139 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.654 -5.355 -2.277 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.420 -6.290 -0.340 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.072 -4.557 -0.541 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.194 -5.097 0.729 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.668 -7.192 -0.959 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.440 -5.999 0.111 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.919 -6.100 -1.600 1.00 0.10 H new ATOM 355 N VAL A 24 -4.395 -1.645 -1.177 1.00 0.08 N ATOM 356 CA VAL A 24 -3.446 -0.630 -1.727 1.00 0.08 C ATOM 357 C VAL A 24 -2.118 -0.742 -0.977 1.00 0.08 C ATOM 358 O VAL A 24 -2.074 -0.716 0.236 1.00 0.08 O ATOM 359 CB VAL A 24 -4.031 0.774 -1.546 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.270 1.767 -2.428 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.512 0.767 -1.940 1.00 0.09 C ATOM 0 H VAL A 24 -4.829 -1.390 -0.290 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.284 -0.809 -2.790 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.935 1.073 -0.502 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.689 2.765 -2.297 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.218 1.775 -2.143 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.361 1.470 -3.473 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.928 1.766 -1.811 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.610 0.465 -2.983 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.054 0.064 -1.307 1.00 0.09 H new ATOM 371 N VAL A 25 -1.036 -0.884 -1.699 1.00 0.09 N ATOM 372 CA VAL A 25 0.307 -1.019 -1.051 1.00 0.09 C ATOM 373 C VAL A 25 1.083 0.282 -1.212 1.00 0.10 C ATOM 374 O VAL A 25 1.070 0.894 -2.258 1.00 0.17 O ATOM 375 CB VAL A 25 1.082 -2.150 -1.737 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.229 -2.606 -0.837 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.139 -3.325 -2.001 1.00 0.09 C ATOM 0 H VAL A 25 -1.024 -0.913 -2.719 1.00 0.09 H new ATOM 0 HA VAL A 25 0.180 -1.241 0.009 1.00 0.09 H new ATOM 0 HB VAL A 25 1.488 -1.790 -2.682 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.778 -3.410 -1.327 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.901 -1.768 -0.651 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.827 -2.966 0.110 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.689 -4.130 -2.489 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.268 -3.684 -1.056 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.676 -2.999 -2.647 1.00 0.09 H new ATOM 387 N ASP A 26 1.767 0.700 -0.180 1.00 0.08 N ATOM 388 CA ASP A 26 2.564 1.962 -0.252 1.00 0.08 C ATOM 389 C ASP A 26 4.051 1.622 -0.215 1.00 0.08 C ATOM 390 O ASP A 26 4.598 1.301 0.822 1.00 0.09 O ATOM 391 CB ASP A 26 2.220 2.842 0.949 1.00 0.09 C ATOM 392 CG ASP A 26 3.107 4.089 0.938 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.353 4.607 -0.138 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.524 4.504 2.007 1.00 0.96 O ATOM 0 H ASP A 26 1.809 0.218 0.718 1.00 0.08 H new ATOM 0 HA ASP A 26 2.331 2.491 -1.176 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.169 3.130 0.914 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.367 2.286 1.875 1.00 0.09 H new ATOM 399 N PHE A 27 4.717 1.703 -1.332 1.00 0.08 N ATOM 400 CA PHE A 27 6.171 1.400 -1.353 1.00 0.09 C ATOM 401 C PHE A 27 6.919 2.682 -0.990 1.00 0.11 C ATOM 402 O PHE A 27 7.393 3.396 -1.849 1.00 0.13 O ATOM 403 CB PHE A 27 6.578 0.965 -2.763 1.00 0.10 C ATOM 404 CG PHE A 27 6.204 -0.483 -2.994 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.876 -0.835 -3.316 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.191 -1.479 -2.903 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.542 -2.187 -3.541 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.857 -2.828 -3.129 1.00 0.21 C ATOM 409 CZ PHE A 27 5.533 -3.181 -3.448 1.00 0.23 C ATOM 0 H PHE A 27 4.315 1.966 -2.232 1.00 0.08 H new ATOM 0 HA PHE A 27 6.406 0.602 -0.649 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.086 1.597 -3.502 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.652 1.096 -2.896 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.117 -0.071 -3.390 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.208 -1.209 -2.659 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.526 -2.459 -3.785 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.617 -3.592 -3.057 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.277 -4.216 -3.622 1.00 0.23 H new ATOM 419 N SER A 28 7.005 2.983 0.282 1.00 0.11 N ATOM 420 CA SER A 28 7.706 4.226 0.734 1.00 0.12 C ATOM 421 C SER A 28 8.952 3.848 1.535 1.00 0.10 C ATOM 422 O SER A 28 8.989 2.833 2.203 1.00 0.11 O ATOM 423 CB SER A 28 6.764 5.035 1.623 1.00 0.17 C ATOM 424 OG SER A 28 5.610 5.397 0.875 1.00 1.03 O ATOM 0 H SER A 28 6.616 2.415 1.035 1.00 0.11 H new ATOM 0 HA SER A 28 7.998 4.817 -0.134 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.477 4.450 2.496 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.269 5.928 1.990 1.00 0.17 H new ATOM 0 HG SER A 28 4.829 5.417 1.467 1.00 1.03 H new ATOM 430 N ALA A 29 9.971 4.663 1.485 1.00 0.10 N ATOM 431 CA ALA A 29 11.213 4.364 2.257 1.00 0.15 C ATOM 432 C ALA A 29 11.108 5.032 3.634 1.00 0.18 C ATOM 433 O ALA A 29 10.807 6.204 3.745 1.00 0.26 O ATOM 434 CB ALA A 29 12.422 4.910 1.485 1.00 0.19 C ATOM 0 H ALA A 29 9.997 5.526 0.941 1.00 0.10 H new ATOM 0 HA ALA A 29 11.335 3.289 2.390 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.335 4.697 2.041 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.474 4.434 0.506 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.317 5.988 1.359 1.00 0.19 H new ATOM 440 N THR A 30 11.339 4.291 4.684 1.00 0.18 N ATOM 441 CA THR A 30 11.237 4.875 6.054 1.00 0.23 C ATOM 442 C THR A 30 12.340 5.915 6.278 1.00 0.26 C ATOM 443 O THR A 30 12.209 6.799 7.101 1.00 0.31 O ATOM 444 CB THR A 30 11.376 3.758 7.090 1.00 0.26 C ATOM 445 OG1 THR A 30 11.143 4.288 8.389 1.00 0.32 O ATOM 446 CG2 THR A 30 12.787 3.170 7.022 1.00 0.28 C ATOM 0 H THR A 30 11.595 3.304 4.653 1.00 0.18 H new ATOM 0 HA THR A 30 10.268 5.363 6.158 1.00 0.23 H new ATOM 0 HB THR A 30 10.648 2.974 6.881 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.230 3.574 9.054 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.886 2.374 7.760 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.965 2.765 6.026 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.517 3.952 7.231 1.00 0.28 H new ATOM 454 N TRP A 31 13.433 5.813 5.569 1.00 0.26 N ATOM 455 CA TRP A 31 14.545 6.795 5.765 1.00 0.32 C ATOM 456 C TRP A 31 14.332 8.014 4.865 1.00 0.32 C ATOM 457 O TRP A 31 14.940 9.047 5.051 1.00 0.36 O ATOM 458 CB TRP A 31 15.882 6.129 5.414 1.00 0.34 C ATOM 459 CG TRP A 31 15.958 5.866 3.944 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.658 4.691 3.345 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.359 6.777 2.884 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.845 4.821 1.980 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.274 6.091 1.643 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.782 8.125 2.875 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.598 6.722 0.433 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.109 8.765 1.663 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.015 8.066 0.443 1.00 0.40 C ATOM 0 H TRP A 31 13.606 5.096 4.865 1.00 0.26 H new ATOM 0 HA TRP A 31 14.557 7.117 6.806 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.708 6.772 5.719 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.986 5.194 5.964 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.326 3.796 3.850 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.686 4.072 1.306 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.855 8.669 3.805 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.528 6.181 -0.499 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.433 9.795 1.669 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.263 8.562 -0.484 1.00 0.40 H new ATOM 478 N CYS A 32 13.484 7.897 3.882 1.00 0.28 N ATOM 479 CA CYS A 32 13.248 9.041 2.953 1.00 0.30 C ATOM 480 C CYS A 32 12.068 9.888 3.444 1.00 0.31 C ATOM 481 O CYS A 32 11.009 9.385 3.763 1.00 0.29 O ATOM 482 CB CYS A 32 12.964 8.477 1.557 1.00 0.28 C ATOM 483 SG CYS A 32 13.488 9.668 0.297 1.00 0.32 S ATOM 0 H CYS A 32 12.942 7.057 3.680 1.00 0.28 H new ATOM 0 HA CYS A 32 14.128 9.684 2.918 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.493 7.534 1.421 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.900 8.264 1.450 1.00 0.28 H new ATOM 488 N GLY A 33 12.263 11.177 3.508 1.00 0.34 N ATOM 489 CA GLY A 33 11.188 12.093 3.978 1.00 0.36 C ATOM 490 C GLY A 33 10.053 12.209 2.946 1.00 0.35 C ATOM 491 O GLY A 33 8.914 11.972 3.281 1.00 0.33 O ATOM 0 H GLY A 33 13.135 11.640 3.250 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.786 11.728 4.923 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.608 13.080 4.170 1.00 0.36 H new ATOM 495 N PRO A 34 10.375 12.597 1.726 1.00 0.37 N ATOM 496 CA PRO A 34 9.352 12.774 0.675 1.00 0.38 C ATOM 497 C PRO A 34 8.403 11.570 0.606 1.00 0.35 C ATOM 498 O PRO A 34 7.227 11.716 0.341 1.00 0.36 O ATOM 499 CB PRO A 34 10.162 12.947 -0.631 1.00 0.42 C ATOM 500 CG PRO A 34 11.625 13.262 -0.208 1.00 0.44 C ATOM 501 CD PRO A 34 11.760 12.883 1.286 1.00 0.40 C ATOM 0 HA PRO A 34 8.706 13.631 0.867 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.120 12.041 -1.236 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.752 13.754 -1.237 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.331 12.695 -0.814 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.851 14.318 -0.359 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.405 12.014 1.418 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.199 13.697 1.863 1.00 0.40 H new ATOM 509 N ALA A 35 8.893 10.388 0.840 1.00 0.33 N ATOM 510 CA ALA A 35 7.997 9.200 0.781 1.00 0.32 C ATOM 511 C ALA A 35 7.154 9.145 2.061 1.00 0.39 C ATOM 512 O ALA A 35 5.941 9.202 2.025 1.00 0.81 O ATOM 513 CB ALA A 35 8.845 7.930 0.654 1.00 0.36 C ATOM 0 H ALA A 35 9.868 10.192 1.068 1.00 0.33 H new ATOM 0 HA ALA A 35 7.336 9.273 -0.083 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.191 7.059 0.611 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.443 7.981 -0.256 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.505 7.846 1.517 1.00 0.36 H new ATOM 519 N LYS A 36 7.795 9.037 3.189 1.00 0.30 N ATOM 520 CA LYS A 36 7.055 8.981 4.482 1.00 0.28 C ATOM 521 C LYS A 36 6.226 10.259 4.666 1.00 0.24 C ATOM 522 O LYS A 36 5.313 10.303 5.466 1.00 0.25 O ATOM 523 CB LYS A 36 8.078 8.847 5.622 1.00 0.35 C ATOM 524 CG LYS A 36 7.430 9.189 6.973 1.00 0.38 C ATOM 525 CD LYS A 36 8.325 8.692 8.124 1.00 0.49 C ATOM 526 CE LYS A 36 8.069 9.532 9.383 1.00 1.22 C ATOM 527 NZ LYS A 36 6.621 9.876 9.469 1.00 1.92 N ATOM 0 H LYS A 36 8.810 8.984 3.273 1.00 0.30 H new ATOM 0 HA LYS A 36 6.378 8.127 4.488 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.471 7.831 5.648 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.923 9.511 5.439 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.283 10.266 7.054 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.445 8.727 7.041 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.119 7.641 8.329 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.374 8.761 7.837 1.00 0.49 H new ATOM 0 HE2 LYS A 36 8.375 8.978 10.270 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.668 10.442 9.353 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 6.345 9.970 10.467 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 6.448 10.775 8.976 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.058 9.123 9.024 1.00 1.92 H new ATOM 541 N MET A 37 6.545 11.301 3.952 1.00 0.23 N ATOM 542 CA MET A 37 5.783 12.571 4.112 1.00 0.24 C ATOM 543 C MET A 37 4.304 12.350 3.789 1.00 0.20 C ATOM 544 O MET A 37 3.466 13.165 4.117 1.00 0.20 O ATOM 545 CB MET A 37 6.357 13.640 3.175 1.00 0.29 C ATOM 546 CG MET A 37 5.651 14.978 3.419 1.00 1.31 C ATOM 547 SD MET A 37 6.679 16.323 2.773 1.00 2.12 S ATOM 548 CE MET A 37 5.541 17.693 3.111 1.00 3.13 C ATOM 0 H MET A 37 7.299 11.329 3.266 1.00 0.23 H new ATOM 0 HA MET A 37 5.873 12.904 5.146 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.428 13.748 3.344 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.227 13.334 2.137 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.677 14.983 2.931 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.474 15.120 4.485 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.991 18.630 2.782 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.607 17.531 2.573 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.340 17.743 4.181 1.00 3.13 H new ATOM 558 N ILE A 38 3.973 11.263 3.135 1.00 0.18 N ATOM 559 CA ILE A 38 2.541 11.001 2.774 1.00 0.15 C ATOM 560 C ILE A 38 1.921 10.007 3.754 1.00 0.16 C ATOM 561 O ILE A 38 0.816 9.545 3.561 1.00 0.16 O ATOM 562 CB ILE A 38 2.461 10.427 1.351 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.306 11.302 0.409 1.00 0.17 C ATOM 564 CG2 ILE A 38 0.993 10.408 0.877 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.398 10.664 -0.988 1.00 0.28 C ATOM 0 H ILE A 38 4.632 10.545 2.835 1.00 0.18 H new ATOM 0 HA ILE A 38 1.991 11.941 2.822 1.00 0.15 H new ATOM 0 HB ILE A 38 2.845 9.407 1.344 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.864 12.295 0.332 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.306 11.430 0.823 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.942 10.000 -0.133 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.401 9.787 1.550 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.597 11.424 0.878 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.000 11.298 -1.639 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.862 9.681 -0.909 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.397 10.560 -1.407 1.00 0.28 H new ATOM 577 N LYS A 39 2.601 9.661 4.812 1.00 0.19 N ATOM 578 CA LYS A 39 1.984 8.692 5.752 1.00 0.22 C ATOM 579 C LYS A 39 0.727 9.269 6.434 1.00 0.20 C ATOM 580 O LYS A 39 -0.171 8.513 6.725 1.00 0.21 O ATOM 581 CB LYS A 39 3.004 8.137 6.788 1.00 0.31 C ATOM 582 CG LYS A 39 3.261 9.093 7.978 1.00 0.34 C ATOM 583 CD LYS A 39 3.814 8.305 9.185 1.00 0.45 C ATOM 584 CE LYS A 39 2.756 7.333 9.749 1.00 1.16 C ATOM 585 NZ LYS A 39 2.967 5.976 9.163 1.00 1.62 N ATOM 0 H LYS A 39 3.531 9.998 5.060 1.00 0.19 H new ATOM 0 HA LYS A 39 1.660 7.843 5.151 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.638 7.184 7.171 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.949 7.936 6.283 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.969 9.868 7.685 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.335 9.596 8.256 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.700 7.747 8.883 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.125 9.000 9.965 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.830 7.288 10.836 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.754 7.691 9.513 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.086 5.650 8.716 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.722 6.020 8.449 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.240 5.312 9.915 1.00 1.62 H new ATOM 599 N PRO A 40 0.653 10.563 6.705 1.00 0.20 N ATOM 600 CA PRO A 40 -0.539 11.089 7.384 1.00 0.21 C ATOM 601 C PRO A 40 -1.761 10.929 6.478 1.00 0.17 C ATOM 602 O PRO A 40 -2.871 11.242 6.859 1.00 0.20 O ATOM 603 CB PRO A 40 -0.220 12.567 7.683 1.00 0.24 C ATOM 604 CG PRO A 40 1.222 12.844 7.168 1.00 0.25 C ATOM 605 CD PRO A 40 1.673 11.593 6.379 1.00 0.21 C ATOM 0 HA PRO A 40 -0.774 10.557 8.306 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.937 13.222 7.188 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.291 12.766 8.752 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.240 13.728 6.531 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.898 13.038 8.001 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.710 11.791 5.308 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.671 11.273 6.678 1.00 0.21 H new ATOM 613 N PHE A 41 -1.560 10.437 5.283 1.00 0.14 N ATOM 614 CA PHE A 41 -2.697 10.235 4.335 1.00 0.14 C ATOM 615 C PHE A 41 -2.919 8.737 4.140 1.00 0.11 C ATOM 616 O PHE A 41 -3.812 8.151 4.715 1.00 0.13 O ATOM 617 CB PHE A 41 -2.349 10.876 2.988 1.00 0.15 C ATOM 618 CG PHE A 41 -2.562 12.367 3.073 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.545 13.199 3.580 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.781 12.922 2.646 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.749 14.590 3.659 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.986 14.314 2.725 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.969 15.148 3.232 1.00 0.27 C ATOM 0 H PHE A 41 -0.647 10.164 4.920 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.601 10.694 4.735 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.313 10.660 2.727 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.972 10.453 2.200 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.609 12.770 3.908 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.560 12.282 2.258 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.970 15.229 4.047 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.922 14.742 2.397 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.126 16.215 3.293 1.00 0.27 H new ATOM 633 N PHE A 42 -2.112 8.120 3.327 1.00 0.10 N ATOM 634 CA PHE A 42 -2.257 6.660 3.067 1.00 0.11 C ATOM 635 C PHE A 42 -2.550 5.900 4.370 1.00 0.11 C ATOM 636 O PHE A 42 -3.545 5.210 4.481 1.00 0.12 O ATOM 637 CB PHE A 42 -0.955 6.151 2.449 1.00 0.13 C ATOM 638 CG PHE A 42 -0.997 4.652 2.319 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.659 4.069 1.229 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.362 3.839 3.278 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.690 2.672 1.091 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.395 2.437 3.143 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.059 1.854 2.047 1.00 0.10 C ATOM 0 H PHE A 42 -1.347 8.570 2.824 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.092 6.492 2.387 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.806 6.605 1.469 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.109 6.447 3.069 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.145 4.695 0.495 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.149 4.290 4.116 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.199 2.224 0.250 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.088 1.811 3.879 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.084 0.780 1.940 1.00 0.10 H new ATOM 653 N HIS A 43 -1.701 6.015 5.353 1.00 0.14 N ATOM 654 CA HIS A 43 -1.949 5.292 6.634 1.00 0.16 C ATOM 655 C HIS A 43 -3.190 5.871 7.334 1.00 0.16 C ATOM 656 O HIS A 43 -3.902 5.168 8.024 1.00 0.18 O ATOM 657 CB HIS A 43 -0.687 5.391 7.527 1.00 0.21 C ATOM 658 CG HIS A 43 -1.042 5.310 8.991 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.985 4.124 9.706 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.495 6.260 9.872 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.399 4.387 10.960 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.723 5.676 11.114 1.00 0.39 N ATOM 0 H HIS A 43 -0.849 6.576 5.326 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.147 4.238 6.437 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.004 4.587 7.273 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.171 6.330 7.327 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.651 7.303 9.637 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.462 3.648 11.745 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.064 6.132 11.960 1.00 0.39 H new ATOM 670 N SER A 44 -3.462 7.135 7.166 1.00 0.20 N ATOM 671 CA SER A 44 -4.663 7.725 7.830 1.00 0.25 C ATOM 672 C SER A 44 -5.941 7.075 7.280 1.00 0.20 C ATOM 673 O SER A 44 -6.873 6.809 8.012 1.00 0.21 O ATOM 674 CB SER A 44 -4.694 9.236 7.583 1.00 0.34 C ATOM 675 OG SER A 44 -3.829 9.875 8.513 1.00 0.97 O ATOM 0 H SER A 44 -2.911 7.783 6.603 1.00 0.20 H new ATOM 0 HA SER A 44 -4.609 7.538 8.902 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.380 9.457 6.563 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.710 9.615 7.693 1.00 0.34 H new ATOM 0 HG SER A 44 -3.470 10.696 8.116 1.00 0.97 H new ATOM 681 N LEU A 45 -6.001 6.825 5.999 1.00 0.18 N ATOM 682 CA LEU A 45 -7.230 6.200 5.421 1.00 0.18 C ATOM 683 C LEU A 45 -7.587 4.936 6.207 1.00 0.16 C ATOM 684 O LEU A 45 -8.684 4.426 6.104 1.00 0.23 O ATOM 685 CB LEU A 45 -6.988 5.824 3.951 1.00 0.19 C ATOM 686 CG LEU A 45 -6.554 7.053 3.132 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.459 6.659 1.655 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.580 8.188 3.295 1.00 0.50 C ATOM 0 H LEU A 45 -5.258 7.025 5.330 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.049 6.916 5.483 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.220 5.053 3.891 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.898 5.402 3.525 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.585 7.401 3.489 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.152 7.524 1.067 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.725 5.861 1.538 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.432 6.311 1.308 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.263 9.052 2.711 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.555 7.851 2.943 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.650 8.467 4.346 1.00 0.50 H new ATOM 700 N SER A 46 -6.679 4.419 6.987 1.00 0.20 N ATOM 701 CA SER A 46 -6.990 3.187 7.767 1.00 0.25 C ATOM 702 C SER A 46 -8.195 3.439 8.677 1.00 0.17 C ATOM 703 O SER A 46 -8.964 2.543 8.964 1.00 0.15 O ATOM 704 CB SER A 46 -5.781 2.796 8.618 1.00 0.36 C ATOM 705 OG SER A 46 -4.600 2.919 7.840 1.00 0.51 O ATOM 0 H SER A 46 -5.739 4.793 7.118 1.00 0.20 H new ATOM 0 HA SER A 46 -7.224 2.377 7.076 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.719 3.436 9.498 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.890 1.772 8.976 1.00 0.36 H new ATOM 0 HG SER A 46 -4.102 3.714 8.125 1.00 0.51 H new ATOM 711 N GLU A 47 -8.365 4.651 9.146 1.00 0.21 N ATOM 712 CA GLU A 47 -9.518 4.951 10.051 1.00 0.21 C ATOM 713 C GLU A 47 -10.693 5.488 9.236 1.00 0.18 C ATOM 714 O GLU A 47 -11.826 5.470 9.676 1.00 0.18 O ATOM 715 CB GLU A 47 -9.096 6.011 11.082 1.00 0.32 C ATOM 716 CG GLU A 47 -7.657 5.745 11.553 1.00 0.39 C ATOM 717 CD GLU A 47 -6.657 6.387 10.586 1.00 1.24 C ATOM 718 OE1 GLU A 47 -6.807 7.565 10.305 1.00 1.98 O ATOM 719 OE2 GLU A 47 -5.758 5.691 10.145 1.00 2.00 O ATOM 0 H GLU A 47 -7.757 5.444 8.942 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.818 4.036 10.561 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.165 7.006 10.642 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.775 5.992 11.934 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.514 6.148 12.556 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.479 4.671 11.613 1.00 0.39 H new ATOM 726 N LYS A 48 -10.432 5.976 8.059 1.00 0.18 N ATOM 727 CA LYS A 48 -11.528 6.530 7.215 1.00 0.17 C ATOM 728 C LYS A 48 -12.082 5.427 6.309 1.00 0.15 C ATOM 729 O LYS A 48 -13.194 5.505 5.826 1.00 0.18 O ATOM 730 CB LYS A 48 -10.956 7.672 6.371 1.00 0.21 C ATOM 731 CG LYS A 48 -12.091 8.580 5.887 1.00 0.26 C ATOM 732 CD LYS A 48 -11.510 9.731 5.064 1.00 1.09 C ATOM 733 CE LYS A 48 -12.591 10.790 4.833 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.811 10.142 4.274 1.00 2.16 N ATOM 0 H LYS A 48 -9.502 6.016 7.641 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.338 6.905 7.840 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.243 8.249 6.959 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.412 7.268 5.517 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.796 8.008 5.284 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.645 8.972 6.740 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.660 10.172 5.585 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.141 9.359 4.108 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.830 11.291 5.771 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.226 11.554 4.147 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.394 10.856 3.793 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.533 9.407 3.593 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -14.359 9.710 5.045 1.00 2.16 H new ATOM 748 N TYR A 49 -11.310 4.395 6.085 1.00 0.13 N ATOM 749 CA TYR A 49 -11.769 3.264 5.220 1.00 0.13 C ATOM 750 C TYR A 49 -11.402 1.941 5.891 1.00 0.11 C ATOM 751 O TYR A 49 -10.575 1.194 5.408 1.00 0.11 O ATOM 752 CB TYR A 49 -11.085 3.355 3.848 1.00 0.15 C ATOM 753 CG TYR A 49 -11.805 4.373 2.995 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.041 4.043 2.409 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.245 5.649 2.790 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.720 4.987 1.617 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.923 6.595 2.001 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.161 6.265 1.413 1.00 0.21 C ATOM 759 OH TYR A 49 -13.827 7.193 0.638 1.00 0.24 O ATOM 0 H TYR A 49 -10.371 4.286 6.468 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.849 3.319 5.085 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.040 3.639 3.969 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.096 2.381 3.359 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.469 3.064 2.567 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.295 5.901 3.239 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.668 4.733 1.166 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.495 7.574 1.845 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.306 8.022 0.600 1.00 0.24 H new ATOM 769 N SER A 50 -12.014 1.643 7.003 1.00 0.12 N ATOM 770 CA SER A 50 -11.705 0.369 7.703 1.00 0.13 C ATOM 771 C SER A 50 -12.183 -0.805 6.846 1.00 0.13 C ATOM 772 O SER A 50 -11.989 -1.955 7.184 1.00 0.14 O ATOM 773 CB SER A 50 -12.421 0.347 9.054 1.00 0.16 C ATOM 774 OG SER A 50 -13.817 0.523 8.849 1.00 0.17 O ATOM 0 H SER A 50 -12.715 2.229 7.456 1.00 0.12 H new ATOM 0 HA SER A 50 -10.630 0.287 7.864 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.233 -0.598 9.563 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.034 1.138 9.697 1.00 0.16 H new ATOM 0 HG SER A 50 -14.279 0.508 9.713 1.00 0.17 H new ATOM 780 N ASN A 51 -12.812 -0.519 5.734 1.00 0.13 N ATOM 781 CA ASN A 51 -13.310 -1.608 4.843 1.00 0.15 C ATOM 782 C ASN A 51 -12.278 -1.886 3.750 1.00 0.13 C ATOM 783 O ASN A 51 -12.461 -2.752 2.918 1.00 0.14 O ATOM 784 CB ASN A 51 -14.622 -1.165 4.195 1.00 0.17 C ATOM 785 CG ASN A 51 -15.168 -2.295 3.320 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.731 -2.480 2.201 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.112 -3.067 3.786 1.00 0.32 N ATOM 0 H ASN A 51 -13.002 0.427 5.404 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.473 -2.513 5.428 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.349 -0.903 4.964 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.459 -0.271 3.593 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.482 -3.824 3.211 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.480 -2.913 4.725 1.00 0.32 H new ATOM 794 N VAL A 52 -11.191 -1.155 3.752 1.00 0.11 N ATOM 795 CA VAL A 52 -10.123 -1.358 2.723 1.00 0.10 C ATOM 796 C VAL A 52 -8.846 -1.820 3.419 1.00 0.10 C ATOM 797 O VAL A 52 -8.589 -1.478 4.556 1.00 0.11 O ATOM 798 CB VAL A 52 -9.855 -0.036 2.008 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.698 -0.209 1.019 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.116 0.394 1.257 1.00 0.12 C ATOM 0 H VAL A 52 -10.996 -0.418 4.430 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.443 -2.107 1.999 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.587 0.727 2.739 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.510 0.737 0.511 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.802 -0.516 1.558 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.958 -0.971 0.284 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.930 1.338 0.744 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.382 -0.370 0.526 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.935 0.521 1.964 1.00 0.12 H new ATOM 810 N ILE A 53 -8.044 -2.605 2.749 1.00 0.09 N ATOM 811 CA ILE A 53 -6.779 -3.103 3.368 1.00 0.09 C ATOM 812 C ILE A 53 -5.600 -2.254 2.880 1.00 0.09 C ATOM 813 O ILE A 53 -5.402 -2.072 1.696 1.00 0.14 O ATOM 814 CB ILE A 53 -6.558 -4.562 2.950 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.894 -5.344 2.973 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.524 -5.213 3.874 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.636 -5.196 4.314 1.00 0.17 C ATOM 0 H ILE A 53 -8.211 -2.924 1.795 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.851 -3.034 4.453 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.177 -4.586 1.929 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.534 -4.989 2.165 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.698 -6.399 2.784 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.370 -6.249 3.574 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.581 -4.671 3.804 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.885 -5.183 4.902 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.566 -5.763 4.279 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.009 -5.576 5.121 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.858 -4.144 4.493 1.00 0.17 H new ATOM 829 N PHE A 54 -4.812 -1.739 3.791 1.00 0.08 N ATOM 830 CA PHE A 54 -3.630 -0.901 3.411 1.00 0.08 C ATOM 831 C PHE A 54 -2.355 -1.628 3.834 1.00 0.08 C ATOM 832 O PHE A 54 -2.224 -2.060 4.959 1.00 0.11 O ATOM 833 CB PHE A 54 -3.716 0.444 4.131 1.00 0.08 C ATOM 834 CG PHE A 54 -4.983 1.145 3.704 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.095 1.651 2.395 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.055 1.287 4.607 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.276 2.301 1.988 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.237 1.934 4.200 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.347 2.441 2.892 1.00 0.09 C ATOM 0 H PHE A 54 -4.938 -1.865 4.795 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.619 -0.734 2.334 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.713 0.295 5.211 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.847 1.057 3.891 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.274 1.540 1.702 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.970 0.899 5.611 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.360 2.691 0.985 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.059 2.041 4.892 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.254 2.938 2.581 1.00 0.09 H new ATOM 849 N LEU A 55 -1.417 -1.777 2.936 1.00 0.08 N ATOM 850 CA LEU A 55 -0.141 -2.488 3.267 1.00 0.09 C ATOM 851 C LEU A 55 1.011 -1.480 3.245 1.00 0.09 C ATOM 852 O LEU A 55 0.860 -0.354 2.814 1.00 0.10 O ATOM 853 CB LEU A 55 0.123 -3.580 2.214 1.00 0.10 C ATOM 854 CG LEU A 55 -0.684 -4.852 2.523 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.164 -4.514 2.752 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.550 -5.819 1.339 1.00 0.12 C ATOM 0 H LEU A 55 -1.479 -1.434 1.977 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.218 -2.943 4.254 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.143 -3.208 1.225 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.187 -3.817 2.190 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.296 -5.312 3.432 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.717 -5.428 2.969 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.254 -3.827 3.593 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.573 -4.047 1.856 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.118 -6.727 1.544 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.937 -5.345 0.437 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.500 -6.073 1.194 1.00 0.12 H new ATOM 868 N GLU A 56 2.168 -1.886 3.695 1.00 0.09 N ATOM 869 CA GLU A 56 3.350 -0.972 3.697 1.00 0.09 C ATOM 870 C GLU A 56 4.584 -1.796 3.326 1.00 0.09 C ATOM 871 O GLU A 56 4.707 -2.942 3.711 1.00 0.10 O ATOM 872 CB GLU A 56 3.523 -0.352 5.092 1.00 0.09 C ATOM 873 CG GLU A 56 4.396 0.907 5.000 1.00 0.11 C ATOM 874 CD GLU A 56 4.381 1.639 6.344 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.311 1.764 6.918 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.439 2.066 6.775 1.00 1.31 O ATOM 0 H GLU A 56 2.347 -2.820 4.065 1.00 0.09 H new ATOM 0 HA GLU A 56 3.211 -0.164 2.979 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.549 -0.100 5.511 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.982 -1.075 5.766 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.417 0.635 4.733 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.025 1.563 4.213 1.00 0.11 H new ATOM 883 N VAL A 57 5.483 -1.239 2.555 1.00 0.08 N ATOM 884 CA VAL A 57 6.694 -2.009 2.128 1.00 0.08 C ATOM 885 C VAL A 57 7.940 -1.119 2.185 1.00 0.09 C ATOM 886 O VAL A 57 7.929 0.015 1.751 1.00 0.14 O ATOM 887 CB VAL A 57 6.488 -2.488 0.686 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.652 -3.390 0.273 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.181 -3.279 0.582 1.00 0.09 C ATOM 0 H VAL A 57 5.432 -0.284 2.202 1.00 0.08 H new ATOM 0 HA VAL A 57 6.835 -2.857 2.798 1.00 0.08 H new ATOM 0 HB VAL A 57 6.442 -1.620 0.028 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.503 -3.729 -0.752 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.586 -2.832 0.339 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.697 -4.253 0.938 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.041 -3.616 -0.445 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.225 -4.143 1.245 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.346 -2.641 0.872 1.00 0.09 H new ATOM 899 N ASP A 58 9.027 -1.643 2.706 1.00 0.09 N ATOM 900 CA ASP A 58 10.297 -0.853 2.780 1.00 0.09 C ATOM 901 C ASP A 58 11.193 -1.259 1.604 1.00 0.10 C ATOM 902 O ASP A 58 11.758 -2.333 1.580 1.00 0.11 O ATOM 903 CB ASP A 58 11.010 -1.151 4.105 1.00 0.11 C ATOM 904 CG ASP A 58 12.040 -0.056 4.394 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.631 1.075 4.595 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.219 -0.367 4.409 1.00 1.06 O ATOM 0 H ASP A 58 9.087 -2.588 3.084 1.00 0.09 H new ATOM 0 HA ASP A 58 10.079 0.214 2.729 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.284 -1.204 4.916 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.502 -2.122 4.054 1.00 0.11 H new ATOM 911 N VAL A 59 11.302 -0.413 0.618 1.00 0.12 N ATOM 912 CA VAL A 59 12.133 -0.743 -0.578 1.00 0.15 C ATOM 913 C VAL A 59 13.598 -0.967 -0.194 1.00 0.18 C ATOM 914 O VAL A 59 14.400 -1.352 -1.023 1.00 0.27 O ATOM 915 CB VAL A 59 12.057 0.422 -1.568 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.667 0.464 -2.209 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.323 1.734 -0.822 1.00 0.22 C ATOM 0 H VAL A 59 10.848 0.500 0.587 1.00 0.12 H new ATOM 0 HA VAL A 59 11.748 -1.661 -1.023 1.00 0.15 H new ATOM 0 HB VAL A 59 12.805 0.288 -2.349 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.616 1.294 -2.913 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.481 -0.471 -2.737 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.913 0.599 -1.434 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.270 2.568 -1.522 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.574 1.867 -0.042 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.315 1.701 -0.371 1.00 0.22 H new ATOM 927 N ASP A 60 13.966 -0.713 1.037 1.00 0.16 N ATOM 928 CA ASP A 60 15.397 -0.893 1.451 1.00 0.18 C ATOM 929 C ASP A 60 15.555 -2.105 2.374 1.00 0.17 C ATOM 930 O ASP A 60 16.511 -2.847 2.269 1.00 0.18 O ATOM 931 CB ASP A 60 15.861 0.359 2.188 1.00 0.21 C ATOM 932 CG ASP A 60 15.890 1.543 1.221 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.802 1.601 0.412 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.000 2.375 1.305 1.00 1.11 O ATOM 0 H ASP A 60 13.340 -0.389 1.774 1.00 0.16 H new ATOM 0 HA ASP A 60 15.999 -1.058 0.558 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.190 0.573 3.020 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.853 0.198 2.611 1.00 0.21 H new ATOM 939 N ASP A 61 14.641 -2.313 3.287 1.00 0.17 N ATOM 940 CA ASP A 61 14.764 -3.478 4.220 1.00 0.17 C ATOM 941 C ASP A 61 13.981 -4.669 3.651 1.00 0.16 C ATOM 942 O ASP A 61 14.212 -5.804 4.020 1.00 0.18 O ATOM 943 CB ASP A 61 14.218 -3.072 5.601 1.00 0.19 C ATOM 944 CG ASP A 61 13.878 -4.315 6.435 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.730 -5.183 6.541 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.776 -4.375 6.952 1.00 1.12 O ATOM 0 H ASP A 61 13.816 -1.729 3.428 1.00 0.17 H new ATOM 0 HA ASP A 61 15.808 -3.771 4.327 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.956 -2.466 6.126 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.328 -2.455 5.479 1.00 0.19 H new ATOM 951 N ALA A 62 13.071 -4.418 2.741 1.00 0.16 N ATOM 952 CA ALA A 62 12.276 -5.525 2.117 1.00 0.16 C ATOM 953 C ALA A 62 12.594 -5.558 0.619 1.00 0.16 C ATOM 954 O ALA A 62 11.715 -5.600 -0.218 1.00 0.15 O ATOM 955 CB ALA A 62 10.779 -5.263 2.328 1.00 0.17 C ATOM 0 H ALA A 62 12.842 -3.484 2.400 1.00 0.16 H new ATOM 0 HA ALA A 62 12.532 -6.481 2.574 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.201 -6.068 1.874 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.564 -5.219 3.396 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.507 -4.315 1.864 1.00 0.17 H new ATOM 961 N GLN A 63 13.854 -5.519 0.286 1.00 0.20 N ATOM 962 CA GLN A 63 14.259 -5.527 -1.149 1.00 0.22 C ATOM 963 C GLN A 63 13.656 -6.733 -1.872 1.00 0.20 C ATOM 964 O GLN A 63 13.586 -6.762 -3.085 1.00 0.20 O ATOM 965 CB GLN A 63 15.785 -5.589 -1.246 1.00 0.29 C ATOM 966 CG GLN A 63 16.402 -4.492 -0.376 1.00 0.90 C ATOM 967 CD GLN A 63 17.928 -4.572 -0.454 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.604 -3.565 -0.405 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.502 -5.738 -0.573 1.00 2.22 N ATOM 0 H GLN A 63 14.627 -5.482 0.951 1.00 0.20 H new ATOM 0 HA GLN A 63 13.892 -4.616 -1.621 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.140 -6.567 -0.921 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.099 -5.464 -2.282 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.062 -3.513 -0.712 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.074 -4.606 0.657 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.934 -6.584 -0.614 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.519 -5.803 -0.625 1.00 2.22 H new ATOM 978 N ASP A 64 13.222 -7.731 -1.153 1.00 0.19 N ATOM 979 CA ASP A 64 12.632 -8.918 -1.830 1.00 0.20 C ATOM 980 C ASP A 64 11.292 -8.523 -2.449 1.00 0.17 C ATOM 981 O ASP A 64 10.938 -8.965 -3.524 1.00 0.19 O ATOM 982 CB ASP A 64 12.420 -10.042 -0.810 1.00 0.22 C ATOM 983 CG ASP A 64 11.886 -9.452 0.497 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.690 -8.991 1.289 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.681 -9.474 0.684 1.00 1.11 O ATOM 0 H ASP A 64 13.250 -7.776 -0.134 1.00 0.19 H new ATOM 0 HA ASP A 64 13.307 -9.270 -2.610 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.717 -10.777 -1.203 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.359 -10.565 -0.628 1.00 0.22 H new ATOM 990 N VAL A 65 10.550 -7.688 -1.782 1.00 0.15 N ATOM 991 CA VAL A 65 9.239 -7.256 -2.335 1.00 0.16 C ATOM 992 C VAL A 65 9.486 -6.264 -3.476 1.00 0.16 C ATOM 993 O VAL A 65 8.920 -6.378 -4.545 1.00 0.19 O ATOM 994 CB VAL A 65 8.422 -6.588 -1.230 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.966 -6.460 -1.679 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.493 -7.443 0.041 1.00 0.18 C ATOM 0 H VAL A 65 10.794 -7.285 -0.877 1.00 0.15 H new ATOM 0 HA VAL A 65 8.688 -8.117 -2.715 1.00 0.16 H new ATOM 0 HB VAL A 65 8.826 -5.597 -1.025 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.383 -5.984 -0.891 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.916 -5.854 -2.584 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.560 -7.451 -1.883 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.911 -6.969 0.831 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.087 -8.434 -0.164 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.531 -7.535 0.360 1.00 0.18 H new ATOM 1006 N ALA A 66 10.338 -5.296 -3.258 1.00 0.16 N ATOM 1007 CA ALA A 66 10.635 -4.302 -4.331 1.00 0.18 C ATOM 1008 C ALA A 66 11.286 -5.019 -5.514 1.00 0.19 C ATOM 1009 O ALA A 66 11.088 -4.657 -6.657 1.00 0.20 O ATOM 1010 CB ALA A 66 11.598 -3.240 -3.791 1.00 0.22 C ATOM 0 H ALA A 66 10.841 -5.151 -2.383 1.00 0.16 H new ATOM 0 HA ALA A 66 9.710 -3.824 -4.653 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.815 -2.514 -4.574 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.141 -2.732 -2.942 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.524 -3.717 -3.472 1.00 0.22 H new ATOM 1016 N SER A 67 12.063 -6.033 -5.249 1.00 0.21 N ATOM 1017 CA SER A 67 12.728 -6.772 -6.358 1.00 0.26 C ATOM 1018 C SER A 67 11.663 -7.431 -7.237 1.00 0.26 C ATOM 1019 O SER A 67 11.652 -7.274 -8.442 1.00 0.29 O ATOM 1020 CB SER A 67 13.647 -7.848 -5.779 1.00 0.31 C ATOM 1021 OG SER A 67 14.738 -7.226 -5.114 1.00 1.29 O ATOM 0 H SER A 67 12.266 -6.381 -4.312 1.00 0.21 H new ATOM 0 HA SER A 67 13.318 -6.077 -6.956 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.094 -8.479 -5.083 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.013 -8.496 -6.575 1.00 0.31 H new ATOM 0 HG SER A 67 14.537 -7.148 -4.158 1.00 1.29 H new ATOM 1027 N GLU A 68 10.770 -8.171 -6.641 1.00 0.26 N ATOM 1028 CA GLU A 68 9.704 -8.848 -7.431 1.00 0.30 C ATOM 1029 C GLU A 68 8.790 -7.805 -8.083 1.00 0.31 C ATOM 1030 O GLU A 68 8.252 -8.020 -9.150 1.00 0.36 O ATOM 1031 CB GLU A 68 8.874 -9.734 -6.500 1.00 0.31 C ATOM 1032 CG GLU A 68 7.873 -10.548 -7.321 1.00 0.39 C ATOM 1033 CD GLU A 68 7.097 -11.487 -6.396 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.136 -11.034 -5.796 1.00 2.19 O ATOM 1035 OE2 GLU A 68 7.477 -12.642 -6.303 1.00 2.20 O ATOM 0 H GLU A 68 10.733 -8.337 -5.635 1.00 0.26 H new ATOM 0 HA GLU A 68 10.166 -9.455 -8.210 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.528 -10.402 -5.939 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.346 -9.119 -5.771 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.185 -9.881 -7.840 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.396 -11.123 -8.085 1.00 0.39 H new ATOM 1042 N ALA A 69 8.601 -6.679 -7.445 1.00 0.29 N ATOM 1043 CA ALA A 69 7.710 -5.630 -8.026 1.00 0.31 C ATOM 1044 C ALA A 69 8.515 -4.704 -8.940 1.00 0.29 C ATOM 1045 O ALA A 69 7.964 -3.855 -9.611 1.00 0.33 O ATOM 1046 CB ALA A 69 7.096 -4.805 -6.894 1.00 0.31 C ATOM 0 H ALA A 69 9.024 -6.440 -6.548 1.00 0.29 H new ATOM 0 HA ALA A 69 6.923 -6.113 -8.606 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.445 -4.038 -7.314 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.515 -5.457 -6.242 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.890 -4.331 -6.317 1.00 0.31 H new ATOM 1052 N GLU A 70 9.810 -4.857 -8.975 1.00 0.27 N ATOM 1053 CA GLU A 70 10.639 -3.978 -9.849 1.00 0.29 C ATOM 1054 C GLU A 70 10.214 -2.516 -9.667 1.00 0.25 C ATOM 1055 O GLU A 70 9.710 -1.889 -10.577 1.00 0.26 O ATOM 1056 CB GLU A 70 10.450 -4.390 -11.312 1.00 0.38 C ATOM 1057 CG GLU A 70 10.477 -5.917 -11.423 1.00 1.18 C ATOM 1058 CD GLU A 70 10.520 -6.321 -12.898 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.691 -5.836 -13.650 1.00 2.34 O ATOM 1060 OE2 GLU A 70 11.382 -7.110 -13.251 1.00 2.06 O ATOM 0 H GLU A 70 10.330 -5.551 -8.438 1.00 0.27 H new ATOM 0 HA GLU A 70 11.689 -4.082 -9.574 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.503 -4.005 -11.689 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.238 -3.957 -11.927 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.347 -6.315 -10.901 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.595 -6.343 -10.944 1.00 1.18 H new ATOM 1067 N VAL A 71 10.411 -1.973 -8.494 1.00 0.22 N ATOM 1068 CA VAL A 71 10.031 -0.549 -8.245 1.00 0.19 C ATOM 1069 C VAL A 71 11.161 0.361 -8.735 1.00 0.23 C ATOM 1070 O VAL A 71 12.323 0.088 -8.507 1.00 0.28 O ATOM 1071 CB VAL A 71 9.810 -0.335 -6.747 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.180 1.040 -6.520 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.868 -1.416 -6.208 1.00 0.19 C ATOM 0 H VAL A 71 10.820 -2.456 -7.694 1.00 0.22 H new ATOM 0 HA VAL A 71 9.111 -0.312 -8.780 1.00 0.19 H new ATOM 0 HB VAL A 71 10.766 -0.393 -6.227 1.00 0.18 H new ATOM 0 HG11 VAL A 71 9.021 1.196 -5.453 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.845 1.813 -6.904 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.224 1.093 -7.041 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.711 -1.263 -5.140 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.912 -1.357 -6.727 1.00 0.19 H new ATOM 0 HG23 VAL A 71 9.310 -2.399 -6.372 1.00 0.19 H new ATOM 1083 N LYS A 72 10.833 1.443 -9.407 1.00 0.24 N ATOM 1084 CA LYS A 72 11.893 2.384 -9.916 1.00 0.29 C ATOM 1085 C LYS A 72 11.642 3.794 -9.364 1.00 0.26 C ATOM 1086 O LYS A 72 12.461 4.678 -9.526 1.00 0.27 O ATOM 1087 CB LYS A 72 11.850 2.440 -11.457 1.00 0.35 C ATOM 1088 CG LYS A 72 12.532 1.199 -12.083 1.00 0.43 C ATOM 1089 CD LYS A 72 11.518 0.065 -12.246 1.00 1.16 C ATOM 1090 CE LYS A 72 12.184 -1.113 -12.962 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.127 -1.792 -12.030 1.00 2.40 N ATOM 0 H LYS A 72 9.875 1.717 -9.626 1.00 0.24 H new ATOM 0 HA LYS A 72 12.868 2.024 -9.588 1.00 0.29 H new ATOM 0 HB2 LYS A 72 10.814 2.497 -11.792 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.348 3.345 -11.804 1.00 0.35 H new ATOM 0 HG2 LYS A 72 12.957 1.459 -13.053 1.00 0.43 H new ATOM 0 HG3 LYS A 72 13.357 0.871 -11.451 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.148 -0.250 -11.270 1.00 1.16 H new ATOM 0 HD3 LYS A 72 10.656 0.412 -12.817 1.00 1.16 H new ATOM 0 HE2 LYS A 72 11.427 -1.817 -13.308 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.718 -0.761 -13.844 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.451 -2.685 -12.453 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 13.946 -1.175 -11.854 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 12.644 -1.990 -11.131 1.00 2.40 H new ATOM 1105 N ALA A 73 10.526 4.025 -8.720 1.00 0.22 N ATOM 1106 CA ALA A 73 10.257 5.399 -8.176 1.00 0.20 C ATOM 1107 C ALA A 73 9.326 5.305 -6.962 1.00 0.18 C ATOM 1108 O ALA A 73 8.302 4.667 -7.017 1.00 0.16 O ATOM 1109 CB ALA A 73 9.605 6.266 -9.272 1.00 0.21 C ATOM 0 H ALA A 73 9.796 3.334 -8.547 1.00 0.22 H new ATOM 0 HA ALA A 73 11.197 5.856 -7.866 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.409 7.263 -8.878 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.278 6.339 -10.127 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.667 5.810 -9.587 1.00 0.21 H new ATOM 1115 N THR A 74 9.674 5.951 -5.870 1.00 0.18 N ATOM 1116 CA THR A 74 8.806 5.911 -4.643 1.00 0.17 C ATOM 1117 C THR A 74 8.217 7.321 -4.417 1.00 0.17 C ATOM 1118 O THR A 74 8.853 8.294 -4.768 1.00 0.19 O ATOM 1119 CB THR A 74 9.667 5.536 -3.413 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.897 6.240 -3.480 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.972 4.022 -3.357 1.00 0.19 C ATOM 0 H THR A 74 10.524 6.506 -5.775 1.00 0.18 H new ATOM 0 HA THR A 74 8.012 5.176 -4.775 1.00 0.17 H new ATOM 0 HB THR A 74 9.104 5.804 -2.519 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.449 6.010 -2.703 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.578 3.805 -2.478 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.037 3.464 -3.299 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.516 3.727 -4.254 1.00 0.19 H new ATOM 1129 N PRO A 75 7.042 7.418 -3.814 1.00 0.17 N ATOM 1130 CA PRO A 75 6.225 6.265 -3.364 1.00 0.16 C ATOM 1131 C PRO A 75 5.515 5.619 -4.566 1.00 0.14 C ATOM 1132 O PRO A 75 5.052 6.300 -5.460 1.00 0.14 O ATOM 1133 CB PRO A 75 5.191 6.886 -2.391 1.00 0.17 C ATOM 1134 CG PRO A 75 5.286 8.433 -2.541 1.00 0.20 C ATOM 1135 CD PRO A 75 6.454 8.734 -3.506 1.00 0.19 C ATOM 0 HA PRO A 75 6.821 5.483 -2.893 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.185 6.538 -2.626 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.401 6.586 -1.364 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.352 8.839 -2.931 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.458 8.902 -1.572 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.101 9.230 -4.410 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.187 9.396 -3.044 1.00 0.19 H new ATOM 1143 N THR A 76 5.412 4.308 -4.578 1.00 0.13 N ATOM 1144 CA THR A 76 4.711 3.607 -5.706 1.00 0.12 C ATOM 1145 C THR A 76 3.454 2.955 -5.147 1.00 0.12 C ATOM 1146 O THR A 76 3.529 2.038 -4.352 1.00 0.18 O ATOM 1147 CB THR A 76 5.612 2.505 -6.305 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.955 2.949 -6.333 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.155 2.184 -7.732 1.00 0.13 C ATOM 0 H THR A 76 5.784 3.693 -3.854 1.00 0.13 H new ATOM 0 HA THR A 76 4.471 4.329 -6.487 1.00 0.12 H new ATOM 0 HB THR A 76 5.538 1.609 -5.688 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.009 3.798 -6.819 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.793 1.406 -8.152 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.122 1.836 -7.714 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.225 3.081 -8.347 1.00 0.13 H new ATOM 1157 N PHE A 77 2.298 3.398 -5.554 1.00 0.09 N ATOM 1158 CA PHE A 77 1.053 2.769 -5.035 1.00 0.09 C ATOM 1159 C PHE A 77 0.658 1.638 -5.963 1.00 0.09 C ATOM 1160 O PHE A 77 0.449 1.831 -7.143 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.078 3.788 -4.972 1.00 0.10 C ATOM 1162 CG PHE A 77 0.209 4.776 -3.879 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.062 4.433 -2.542 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.741 6.043 -4.190 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.195 5.359 -1.513 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.001 6.969 -3.163 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.728 6.630 -1.825 1.00 0.12 C ATOM 0 H PHE A 77 2.162 4.161 -6.217 1.00 0.09 H new ATOM 0 HA PHE A 77 1.235 2.391 -4.029 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.174 4.303 -5.928 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.027 3.285 -4.784 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.467 3.460 -2.305 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.949 6.304 -5.217 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.015 5.098 -0.486 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.410 7.940 -3.402 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.926 7.341 -1.037 1.00 0.12 H new ATOM 1177 N GLN A 78 0.558 0.456 -5.432 1.00 0.07 N ATOM 1178 CA GLN A 78 0.177 -0.724 -6.253 1.00 0.07 C ATOM 1179 C GLN A 78 -1.085 -1.324 -5.647 1.00 0.06 C ATOM 1180 O GLN A 78 -1.211 -1.435 -4.443 1.00 0.07 O ATOM 1181 CB GLN A 78 1.319 -1.739 -6.219 1.00 0.08 C ATOM 1182 CG GLN A 78 2.646 -1.031 -6.522 1.00 0.12 C ATOM 1183 CD GLN A 78 3.692 -2.060 -6.961 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.647 -2.312 -6.254 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.548 -2.671 -8.106 1.00 1.03 N ATOM 0 H GLN A 78 0.727 0.253 -4.447 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.009 -0.442 -7.289 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.365 -2.217 -5.240 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.140 -2.527 -6.950 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.502 -0.288 -7.306 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.995 -0.498 -5.638 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.746 -2.459 -8.700 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.237 -3.360 -8.407 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.037 -1.675 -6.468 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.324 -2.230 -5.947 1.00 0.07 C ATOM 1196 C PHE A 79 -3.394 -3.730 -6.212 1.00 0.07 C ATOM 1197 O PHE A 79 -3.131 -4.195 -7.304 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.488 -1.530 -6.654 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.507 -0.071 -6.254 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.491 0.788 -6.699 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.530 0.427 -5.432 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.491 2.146 -6.329 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.537 1.782 -5.053 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.518 2.642 -5.501 1.00 0.11 C ATOM 0 H PHE A 79 -1.980 -1.602 -7.484 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.384 -2.060 -4.872 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.381 -1.622 -7.735 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.431 -2.006 -6.385 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.703 0.404 -7.330 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.314 -0.232 -5.089 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.709 2.804 -6.678 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.324 2.162 -4.419 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.523 3.682 -5.211 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.760 -4.486 -5.210 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.874 -5.966 -5.359 1.00 0.08 C ATOM 1216 C PHE A 80 -5.282 -6.382 -4.947 1.00 0.11 C ATOM 1217 O PHE A 80 -5.949 -5.703 -4.189 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.856 -6.663 -4.446 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.477 -6.597 -5.064 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.711 -5.422 -4.951 1.00 0.09 C ATOM 1221 CD2 PHE A 80 -0.955 -7.714 -5.745 1.00 0.14 C ATOM 1222 CE1 PHE A 80 0.574 -5.363 -5.520 1.00 0.11 C ATOM 1223 CE2 PHE A 80 0.333 -7.654 -6.312 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.098 -6.477 -6.197 1.00 0.14 C ATOM 0 H PHE A 80 -3.988 -4.134 -4.280 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.677 -6.250 -6.393 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.848 -6.186 -3.466 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.145 -7.703 -4.292 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.110 -4.566 -4.427 1.00 0.09 H new ATOM 0 HD2 PHE A 80 -1.542 -8.616 -5.832 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.159 -4.459 -5.436 1.00 0.11 H new ATOM 0 HE2 PHE A 80 0.734 -8.510 -6.835 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.087 -6.431 -6.629 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.740 -7.493 -5.441 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.103 -7.961 -5.082 1.00 0.14 C ATOM 1236 C LYS A 81 -7.128 -9.474 -5.273 1.00 0.14 C ATOM 1237 O LYS A 81 -6.847 -9.970 -6.344 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.131 -7.274 -5.996 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.519 -7.286 -5.345 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.470 -6.417 -6.174 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.908 -6.604 -5.683 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.468 -7.861 -6.258 1.00 1.48 N ATOM 0 H LYS A 81 -5.227 -8.100 -6.081 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.353 -7.714 -4.050 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.823 -6.247 -6.192 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.170 -7.784 -6.958 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.898 -8.306 -5.286 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.459 -6.909 -4.324 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.182 -5.369 -6.093 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.398 -6.687 -7.228 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.929 -6.648 -4.594 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.519 -5.752 -5.980 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.436 -7.687 -6.595 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.875 -8.173 -7.054 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.483 -8.601 -5.527 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.425 -10.207 -4.237 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.435 -11.692 -4.347 1.00 0.20 C ATOM 1258 C LYS A 82 -6.060 -12.181 -4.819 1.00 0.20 C ATOM 1259 O LYS A 82 -5.918 -13.286 -5.303 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.517 -12.146 -5.341 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.887 -12.148 -4.657 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.930 -12.728 -5.614 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.335 -12.472 -5.064 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.300 -13.395 -5.725 1.00 1.67 N ATOM 0 H LYS A 82 -7.662 -9.840 -3.315 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.657 -12.118 -3.369 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.533 -11.480 -6.204 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.285 -13.144 -5.713 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.848 -12.739 -3.742 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.164 -11.134 -4.370 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.826 -12.273 -6.599 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.767 -13.799 -5.739 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.349 -12.625 -3.985 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.624 -11.436 -5.243 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.256 -13.223 -5.353 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.293 -13.228 -6.751 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.026 -14.380 -5.533 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.043 -11.373 -4.668 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.674 -11.796 -5.094 1.00 0.21 C ATOM 1280 C GLY A 83 -3.386 -11.317 -6.518 1.00 0.19 C ATOM 1281 O GLY A 83 -2.316 -11.548 -7.046 1.00 0.22 O ATOM 0 H GLY A 83 -5.101 -10.437 -4.267 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.931 -11.388 -4.409 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.590 -12.882 -5.045 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.329 -10.657 -7.150 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.104 -10.168 -8.555 1.00 0.17 C ATOM 1287 C GLN A 84 -3.986 -8.643 -8.575 1.00 0.16 C ATOM 1288 O GLN A 84 -4.610 -7.947 -7.799 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.287 -10.575 -9.433 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.530 -12.079 -9.307 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.275 -12.836 -9.742 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.137 -13.200 -10.894 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.346 -13.086 -8.863 1.00 2.08 N ATOM 0 H GLN A 84 -5.244 -10.435 -6.757 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.182 -10.610 -8.932 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.180 -10.026 -9.134 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.087 -10.315 -10.473 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.782 -12.332 -8.277 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.378 -12.374 -9.925 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.462 -12.780 -7.897 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -2.502 -13.587 -9.141 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.190 -8.123 -9.473 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.021 -6.644 -9.574 1.00 0.17 C ATOM 1304 C LYS A 85 -4.106 -6.070 -10.485 1.00 0.16 C ATOM 1305 O LYS A 85 -4.436 -6.646 -11.504 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.647 -6.328 -10.157 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.342 -4.842 -9.937 1.00 0.25 C ATOM 1308 CD LYS A 85 0.079 -4.515 -10.399 1.00 0.30 C ATOM 1309 CE LYS A 85 1.114 -5.301 -9.576 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.400 -6.599 -10.249 1.00 1.70 N ATOM 0 H LYS A 85 -2.646 -8.664 -10.145 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.105 -6.199 -8.583 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.885 -6.944 -9.680 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.626 -6.563 -11.221 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.059 -4.232 -10.486 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.454 -4.594 -8.882 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.188 -4.758 -11.456 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.263 -3.445 -10.297 1.00 0.30 H new ATOM 0 HE2 LYS A 85 2.031 -4.721 -9.476 1.00 0.89 H new ATOM 0 HE3 LYS A 85 0.736 -5.477 -8.569 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.156 -7.382 -9.610 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.834 -6.672 -11.118 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.411 -6.650 -10.489 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.669 -4.941 -10.123 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.747 -4.318 -10.959 1.00 0.16 C ATOM 1326 C VAL A 86 -5.334 -2.899 -11.375 1.00 0.18 C ATOM 1327 O VAL A 86 -5.922 -2.314 -12.263 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.039 -4.254 -10.144 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.578 -5.670 -9.931 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.754 -3.611 -8.784 1.00 0.17 C ATOM 0 H VAL A 86 -4.427 -4.421 -9.280 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.903 -4.920 -11.854 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.777 -3.659 -10.682 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.499 -5.625 -9.350 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.781 -6.131 -10.898 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.839 -6.264 -9.394 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.675 -3.565 -8.203 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -6.016 -4.207 -8.247 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.368 -2.602 -8.932 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.334 -2.337 -10.748 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.908 -0.957 -11.131 1.00 0.18 C ATOM 1342 C GLY A 87 -2.738 -0.497 -10.256 1.00 0.10 C ATOM 1343 O GLY A 87 -2.370 -1.149 -9.298 1.00 0.08 O ATOM 0 H GLY A 87 -3.798 -2.768 -9.995 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.615 -0.938 -12.181 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.745 -0.268 -11.022 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.151 0.628 -10.583 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.004 1.142 -9.779 1.00 0.10 C ATOM 1349 C GLU A 88 -0.620 2.539 -10.254 1.00 0.10 C ATOM 1350 O GLU A 88 -0.875 2.917 -11.380 1.00 0.11 O ATOM 1351 CB GLU A 88 0.204 0.204 -9.922 1.00 0.17 C ATOM 1352 CG GLU A 88 0.687 0.144 -11.381 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.414 -0.431 -12.273 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.604 -1.635 -12.245 1.00 2.04 O ATOM 1355 OE2 GLU A 88 -1.050 0.343 -12.970 1.00 1.94 O ATOM 0 H GLU A 88 -2.419 1.213 -11.375 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.303 1.185 -8.732 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.015 0.550 -9.281 1.00 0.17 H new ATOM 0 HB3 GLU A 88 -0.066 -0.796 -9.583 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.960 1.142 -11.724 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.583 -0.473 -11.451 1.00 0.25 H new ATOM 1362 N PHE A 89 0.006 3.306 -9.404 1.00 0.09 N ATOM 1363 CA PHE A 89 0.419 4.672 -9.814 1.00 0.09 C ATOM 1364 C PHE A 89 1.365 5.281 -8.773 1.00 0.09 C ATOM 1365 O PHE A 89 1.119 5.234 -7.589 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.819 5.567 -10.015 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.405 6.011 -8.686 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.761 7.006 -7.920 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.607 5.435 -8.220 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.315 7.419 -6.697 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.159 5.853 -6.994 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.514 6.845 -6.233 1.00 0.11 C ATOM 0 H PHE A 89 0.247 3.045 -8.448 1.00 0.09 H new ATOM 0 HA PHE A 89 0.953 4.605 -10.762 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.545 6.442 -10.604 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.574 5.024 -10.584 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.158 7.450 -8.274 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.103 4.674 -8.804 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.820 8.179 -6.111 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.078 5.412 -6.638 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.938 7.166 -5.293 1.00 0.11 H new ATOM 1382 N SER A 90 2.449 5.864 -9.220 1.00 0.13 N ATOM 1383 CA SER A 90 3.422 6.498 -8.275 1.00 0.14 C ATOM 1384 C SER A 90 3.221 8.017 -8.317 1.00 0.14 C ATOM 1385 O SER A 90 2.293 8.508 -8.928 1.00 0.17 O ATOM 1386 CB SER A 90 4.846 6.155 -8.716 1.00 0.15 C ATOM 1387 OG SER A 90 5.237 7.032 -9.765 1.00 0.16 O ATOM 0 H SER A 90 2.704 5.929 -10.205 1.00 0.13 H new ATOM 0 HA SER A 90 3.262 6.131 -7.261 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.532 6.248 -7.874 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.895 5.120 -9.054 1.00 0.15 H new ATOM 0 HG SER A 90 6.154 7.341 -9.609 1.00 0.16 H new ATOM 1393 N GLY A 91 4.077 8.767 -7.676 1.00 0.12 N ATOM 1394 CA GLY A 91 3.927 10.257 -7.684 1.00 0.13 C ATOM 1395 C GLY A 91 3.126 10.689 -6.455 1.00 0.13 C ATOM 1396 O GLY A 91 2.068 10.160 -6.176 1.00 0.13 O ATOM 0 H GLY A 91 4.875 8.415 -7.146 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.908 10.733 -7.679 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.421 10.579 -8.594 1.00 0.13 H new ATOM 1400 N ALA A 92 3.629 11.631 -5.706 1.00 0.15 N ATOM 1401 CA ALA A 92 2.894 12.070 -4.484 1.00 0.17 C ATOM 1402 C ALA A 92 1.502 12.611 -4.842 1.00 0.15 C ATOM 1403 O ALA A 92 1.331 13.780 -5.128 1.00 0.16 O ATOM 1404 CB ALA A 92 3.702 13.157 -3.756 1.00 0.20 C ATOM 0 H ALA A 92 4.510 12.113 -5.884 1.00 0.15 H new ATOM 0 HA ALA A 92 2.768 11.207 -3.831 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.162 13.475 -2.864 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.674 12.756 -3.468 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.843 14.011 -4.419 1.00 0.20 H new ATOM 1410 N ASN A 93 0.503 11.768 -4.786 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.895 12.214 -5.076 1.00 0.13 C ATOM 1412 C ASN A 93 -1.825 11.517 -4.080 1.00 0.12 C ATOM 1413 O ASN A 93 -2.504 10.563 -4.405 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.286 11.844 -6.513 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.466 12.715 -6.959 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.487 12.759 -6.300 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.367 13.416 -8.053 1.00 1.15 N ATOM 0 H ASN A 93 0.596 10.780 -4.550 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.974 13.297 -4.976 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.438 11.991 -7.182 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.557 10.790 -6.568 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.146 14.001 -8.356 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.511 13.380 -8.606 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.833 11.975 -2.860 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.686 11.338 -1.820 1.00 0.20 C ATOM 1426 C LYS A 94 -4.163 11.455 -2.199 1.00 0.18 C ATOM 1427 O LYS A 94 -4.959 10.589 -1.896 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.445 12.022 -0.467 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.440 13.565 -0.632 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.996 14.100 -0.758 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.409 14.374 0.631 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.010 14.807 0.490 1.00 1.19 N ATOM 0 H LYS A 94 -1.281 12.769 -2.537 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.424 10.282 -1.748 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.222 11.728 0.239 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.494 11.692 -0.050 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -3.014 13.842 -1.516 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.931 14.028 0.224 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.377 13.375 -1.286 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.990 15.015 -1.350 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.988 15.146 1.137 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.468 13.476 1.247 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.411 14.994 1.431 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.557 14.056 0.023 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.053 15.674 -0.083 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.541 12.516 -2.854 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.966 12.672 -3.241 1.00 0.20 C ATOM 1448 C GLU A 95 -6.326 11.585 -4.251 1.00 0.17 C ATOM 1449 O GLU A 95 -7.468 11.187 -4.375 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.166 14.048 -3.874 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.069 15.125 -2.793 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.212 16.506 -3.435 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.309 16.831 -3.858 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -5.220 17.216 -3.493 1.00 1.95 O ATOM 0 H GLU A 95 -3.926 13.279 -3.137 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.605 12.582 -2.363 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.412 14.220 -4.642 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.138 14.097 -4.365 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.849 14.977 -2.046 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.113 15.050 -2.275 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.354 11.099 -4.970 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.623 10.033 -5.970 1.00 0.14 C ATOM 1463 C LYS A 96 -5.985 8.738 -5.248 1.00 0.12 C ATOM 1464 O LYS A 96 -6.847 8.005 -5.678 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.381 9.809 -6.837 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.688 8.757 -7.909 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.532 8.678 -8.930 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.752 9.691 -10.061 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.500 9.828 -10.859 1.00 2.05 N ATOM 0 H LYS A 96 -4.380 11.397 -4.907 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.453 10.338 -6.607 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.079 10.745 -7.307 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.547 9.480 -6.218 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.836 7.784 -7.441 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.617 9.009 -8.420 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.583 8.879 -8.432 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.469 7.671 -9.342 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.570 9.363 -10.702 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.039 10.657 -9.647 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -2.650 10.515 -11.625 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -1.730 10.159 -10.243 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.245 8.906 -11.266 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.336 8.440 -4.152 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.669 7.179 -3.428 1.00 0.11 C ATOM 1485 C LEU A 97 -7.168 7.145 -3.148 1.00 0.11 C ATOM 1486 O LEU A 97 -7.799 6.108 -3.218 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.916 7.104 -2.089 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.406 7.312 -2.290 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.757 7.683 -0.950 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.752 6.025 -2.816 1.00 0.13 C ATOM 0 H LEU A 97 -4.600 9.007 -3.732 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.374 6.333 -4.049 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.303 7.862 -1.408 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.094 6.135 -1.622 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.260 8.113 -3.015 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.686 7.830 -1.093 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.203 8.603 -0.572 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.920 6.879 -0.232 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.683 6.190 -2.953 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.906 5.219 -2.099 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.202 5.752 -3.770 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.746 8.266 -2.824 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.207 8.282 -2.534 1.00 0.14 C ATOM 1504 C GLU A 98 -9.984 7.933 -3.805 1.00 0.13 C ATOM 1505 O GLU A 98 -10.768 7.006 -3.830 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.617 9.675 -2.051 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.066 9.638 -1.560 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.396 10.953 -0.853 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.713 11.909 -1.542 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -11.328 10.981 0.364 1.00 2.15 O ATOM 0 H GLU A 98 -7.275 9.167 -2.747 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.431 7.549 -1.759 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.957 10.002 -1.247 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.514 10.397 -2.861 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.743 9.484 -2.401 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.209 8.800 -0.878 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.773 8.674 -4.856 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.500 8.396 -6.128 1.00 0.14 C ATOM 1519 C ALA A 99 -10.179 6.984 -6.630 1.00 0.12 C ATOM 1520 O ALA A 99 -11.047 6.277 -7.094 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.074 9.417 -7.183 1.00 0.15 C ATOM 0 H ALA A 99 -9.127 9.463 -4.890 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.572 8.470 -5.947 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.602 9.219 -8.115 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.316 10.422 -6.836 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.000 9.340 -7.351 1.00 0.15 H new ATOM 1527 N THR A 100 -8.940 6.576 -6.552 1.00 0.11 N ATOM 1528 CA THR A 100 -8.563 5.216 -7.042 1.00 0.11 C ATOM 1529 C THR A 100 -9.223 4.149 -6.168 1.00 0.10 C ATOM 1530 O THR A 100 -9.772 3.185 -6.663 1.00 0.11 O ATOM 1531 CB THR A 100 -7.042 5.055 -6.986 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.431 6.118 -7.705 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.642 3.719 -7.614 1.00 0.12 C ATOM 0 H THR A 100 -8.171 7.126 -6.170 1.00 0.11 H new ATOM 0 HA THR A 100 -8.903 5.098 -8.071 1.00 0.11 H new ATOM 0 HB THR A 100 -6.712 5.077 -5.947 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.543 6.956 -7.209 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.559 3.607 -7.573 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.112 2.903 -7.064 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.970 3.693 -8.653 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.185 4.311 -4.876 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.827 3.299 -3.991 1.00 0.11 C ATOM 1543 C ILE A 101 -11.309 3.199 -4.369 1.00 0.13 C ATOM 1544 O ILE A 101 -11.804 2.139 -4.688 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.678 3.738 -2.521 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.216 3.522 -2.069 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.623 2.909 -1.634 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.890 4.389 -0.843 1.00 0.18 C ATOM 0 H ILE A 101 -8.741 5.094 -4.396 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.351 2.326 -4.113 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.935 4.793 -2.428 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.056 2.471 -1.829 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.538 3.769 -2.886 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.515 3.222 -0.595 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.653 3.065 -1.955 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.371 1.852 -1.722 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.856 4.220 -0.543 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.028 5.441 -1.094 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.555 4.122 -0.021 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.014 4.296 -4.346 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.461 4.264 -4.707 1.00 0.17 C ATOM 1562 C ASN A 102 -13.630 3.746 -6.139 1.00 0.18 C ATOM 1563 O ASN A 102 -14.710 3.368 -6.548 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.034 5.681 -4.613 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.556 5.631 -4.765 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.063 5.197 -5.780 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.312 6.059 -3.790 1.00 1.03 N ATOM 0 H ASN A 102 -11.651 5.215 -4.093 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.989 3.602 -4.021 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.769 6.128 -3.655 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.601 6.311 -5.390 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.327 6.029 -3.881 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.887 6.424 -2.937 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.577 3.739 -6.907 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.680 3.260 -8.316 1.00 0.18 C ATOM 1576 C GLU A 103 -12.744 1.729 -8.364 1.00 0.19 C ATOM 1577 O GLU A 103 -13.693 1.152 -8.857 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.451 3.736 -9.102 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.746 3.694 -10.605 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.636 4.880 -10.984 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.962 5.657 -10.100 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -12.976 4.992 -12.150 1.00 2.01 O ATOM 0 H GLU A 103 -11.647 4.045 -6.620 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.591 3.664 -8.757 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.187 4.750 -8.802 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.594 3.103 -8.873 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.815 3.729 -11.170 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.240 2.758 -10.863 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.722 1.070 -7.886 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.692 -0.424 -7.934 1.00 0.19 C ATOM 1591 C LEU A 104 -12.244 -1.028 -6.636 1.00 0.19 C ATOM 1592 O LEU A 104 -12.056 -2.198 -6.367 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.244 -0.884 -8.139 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.627 -0.141 -9.332 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.147 -0.512 -9.445 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.358 -0.529 -10.626 1.00 0.35 C ATOM 0 H LEU A 104 -10.902 1.503 -7.462 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.318 -0.763 -8.759 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.661 -0.692 -7.238 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.216 -1.959 -8.314 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.725 0.934 -9.179 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.704 0.013 -10.291 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.629 -0.227 -8.529 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.052 -1.587 -9.595 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.914 0.002 -11.468 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.268 -1.603 -10.787 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.411 -0.262 -10.543 1.00 0.35 H new ATOM 1608 N VAL A 105 -12.930 -0.260 -5.831 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.487 -0.833 -4.569 1.00 0.22 C ATOM 1610 C VAL A 105 -14.528 -1.899 -4.916 1.00 0.26 C ATOM 1611 O VAL A 105 -14.782 -2.744 -4.075 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.153 0.267 -3.738 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.274 0.917 -4.549 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -14.734 -0.345 -2.459 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.052 -1.850 -6.016 1.00 1.18 O ATOM 0 H VAL A 105 -13.128 0.728 -5.989 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.676 -1.276 -3.991 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.413 1.024 -3.477 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -15.746 1.699 -3.955 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -14.860 1.352 -5.459 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.016 0.164 -4.812 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.209 0.436 -1.865 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.473 -1.102 -2.721 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -13.934 -0.805 -1.880 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.891 0.760 6.264 1.00 0.00 N ATOM 1627 CA PHE B 1 22.690 1.165 4.845 1.00 0.00 C ATOM 1628 C PHE B 1 21.289 0.740 4.391 1.00 0.00 C ATOM 1629 O PHE B 1 20.981 -0.433 4.314 1.00 0.00 O ATOM 1630 CB PHE B 1 23.758 0.493 3.968 1.00 0.00 C ATOM 1631 CG PHE B 1 23.379 0.615 2.506 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.421 1.871 1.870 1.00 0.00 C ATOM 1633 CD2 PHE B 1 22.977 -0.526 1.783 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.062 1.986 0.514 1.00 0.00 C ATOM 1635 CE2 PHE B 1 22.619 -0.410 0.427 1.00 0.00 C ATOM 1636 CZ PHE B 1 22.661 0.846 -0.207 1.00 0.00 C ATOM 0 H1 PHE B 1 23.841 1.047 6.576 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.176 1.222 6.862 1.00 0.00 H new ATOM 0 H3 PHE B 1 22.796 -0.272 6.347 1.00 0.00 H new ATOM 0 HA PHE B 1 22.782 2.247 4.751 1.00 0.00 H new ATOM 0 HB2 PHE B 1 24.728 0.959 4.141 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.856 -0.558 4.240 1.00 0.00 H new ATOM 0 HD1 PHE B 1 23.729 2.746 2.423 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.944 -1.490 2.270 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.094 2.949 0.027 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.312 -1.285 -0.127 1.00 0.00 H new ATOM 0 HZ PHE B 1 22.385 0.935 -1.247 1.00 0.00 H new ATOM 1648 N ARG B 2 20.437 1.688 4.090 1.00 0.00 N ATOM 1649 CA ARG B 2 19.053 1.345 3.640 1.00 0.00 C ATOM 1650 C ARG B 2 18.598 2.361 2.582 1.00 0.00 C ATOM 1651 O ARG B 2 17.573 3.003 2.719 1.00 0.00 O ATOM 1652 CB ARG B 2 18.102 1.385 4.846 1.00 0.00 C ATOM 1653 CG ARG B 2 18.308 0.134 5.705 1.00 0.00 C ATOM 1654 CD ARG B 2 17.471 0.241 6.982 1.00 0.00 C ATOM 1655 NE ARG B 2 16.043 -0.042 6.664 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.200 -0.291 7.626 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.609 -0.286 8.865 1.00 0.00 N ATOM 1658 NH2 ARG B 2 13.951 -0.542 7.351 1.00 0.00 N ATOM 0 H ARG B 2 20.641 2.686 4.137 1.00 0.00 H new ATOM 0 HA ARG B 2 19.042 0.345 3.207 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.288 2.280 5.439 1.00 0.00 H new ATOM 0 HB3 ARG B 2 17.068 1.438 4.505 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.021 -0.755 5.144 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.363 0.025 5.958 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.835 -0.465 7.729 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.569 1.238 7.411 1.00 0.00 H new ATOM 0 HE ARG B 2 15.726 -0.041 5.695 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.586 -0.088 9.079 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.951 -0.481 9.620 1.00 0.00 H new ATOM 0 HH21 ARG B 2 13.633 -0.544 6.382 1.00 0.00 H new ATOM 0 HH22 ARG B 2 13.292 -0.737 8.105 1.00 0.00 H new ATOM 1672 N PHE B 3 19.365 2.510 1.525 1.00 0.00 N ATOM 1673 CA PHE B 3 19.012 3.483 0.436 1.00 0.00 C ATOM 1674 C PHE B 3 18.891 2.739 -0.896 1.00 0.00 C ATOM 1675 O PHE B 3 19.447 1.673 -1.067 1.00 0.00 O ATOM 1676 CB PHE B 3 20.124 4.523 0.319 1.00 0.00 C ATOM 1677 CG PHE B 3 20.229 5.294 1.613 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.766 4.679 2.762 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.784 6.625 1.672 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.856 5.400 3.968 1.00 0.00 C ATOM 1681 CE2 PHE B 3 19.874 7.348 2.875 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.409 6.735 4.025 1.00 0.00 C ATOM 0 H PHE B 3 20.230 1.993 1.368 1.00 0.00 H new ATOM 0 HA PHE B 3 18.065 3.968 0.674 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.072 4.034 0.097 1.00 0.00 H new ATOM 0 HB3 PHE B 3 19.915 5.203 -0.506 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.108 3.656 2.717 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.372 7.094 0.791 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.267 4.930 4.849 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.533 8.372 2.917 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.477 7.288 4.950 1.00 0.00 H new ATOM 1692 N ARG B 4 18.182 3.291 -1.853 1.00 0.00 N ATOM 1693 CA ARG B 4 18.058 2.597 -3.173 1.00 0.00 C ATOM 1694 C ARG B 4 17.880 3.634 -4.305 1.00 0.00 C ATOM 1695 O ARG B 4 18.860 4.109 -4.843 1.00 0.00 O ATOM 1696 CB ARG B 4 16.885 1.584 -3.119 1.00 0.00 C ATOM 1697 CG ARG B 4 17.234 0.311 -3.910 1.00 0.00 C ATOM 1698 CD ARG B 4 16.223 -0.794 -3.603 1.00 0.00 C ATOM 1699 NE ARG B 4 16.400 -1.893 -4.592 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.886 -3.068 -4.360 1.00 0.00 C ATOM 1701 NH1 ARG B 4 15.195 -3.275 -3.275 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.065 -4.035 -5.218 1.00 0.00 N ATOM 0 H ARG B 4 17.690 4.181 -1.778 1.00 0.00 H new ATOM 0 HA ARG B 4 18.970 2.040 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.667 1.327 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.984 2.039 -3.531 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.235 0.527 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG B 4 18.239 -0.023 -3.651 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.370 -1.170 -2.590 1.00 0.00 H new ATOM 0 HD3 ARG B 4 15.207 -0.401 -3.653 1.00 0.00 H new ATOM 0 HE ARG B 4 16.924 -1.726 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.056 -2.517 -2.607 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.793 -4.195 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.606 -3.870 -6.067 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.664 -4.956 -5.040 1.00 0.00 H new ATOM 1716 N TYR B 5 16.663 3.990 -4.685 1.00 0.00 N ATOM 1717 CA TYR B 5 16.482 4.997 -5.797 1.00 0.00 C ATOM 1718 C TYR B 5 15.901 6.317 -5.259 1.00 0.00 C ATOM 1719 O TYR B 5 15.912 6.578 -4.073 1.00 0.00 O ATOM 1720 CB TYR B 5 15.579 4.419 -6.902 1.00 0.00 C ATOM 1721 CG TYR B 5 14.429 3.633 -6.330 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.609 2.300 -5.908 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.160 4.227 -6.257 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.514 1.571 -5.406 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.072 3.499 -5.765 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.244 2.171 -5.336 1.00 0.00 C ATOM 1727 OH TYR B 5 11.168 1.459 -4.853 1.00 0.00 O ATOM 0 H TYR B 5 15.799 3.632 -4.279 1.00 0.00 H new ATOM 0 HA TYR B 5 17.462 5.211 -6.224 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.193 5.231 -7.518 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.170 3.776 -7.555 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.584 1.839 -5.970 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.023 5.248 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.649 0.552 -5.075 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.096 3.959 -5.714 1.00 0.00 H new ATOM 0 HH TYR B 5 11.447 0.542 -4.649 1.00 0.00 H new ATOM 1737 N VAL B 6 15.447 7.172 -6.144 1.00 0.00 N ATOM 1738 CA VAL B 6 14.923 8.511 -5.724 1.00 0.00 C ATOM 1739 C VAL B 6 13.495 8.431 -5.178 1.00 0.00 C ATOM 1740 O VAL B 6 12.702 7.598 -5.571 1.00 0.00 O ATOM 1741 CB VAL B 6 14.915 9.437 -6.948 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.910 10.899 -6.497 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.151 9.165 -7.795 1.00 0.00 C ATOM 0 H VAL B 6 15.417 6.998 -7.149 1.00 0.00 H new ATOM 0 HA VAL B 6 15.569 8.888 -4.931 1.00 0.00 H new ATOM 0 HB VAL B 6 14.019 9.246 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.904 11.550 -7.372 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.021 11.091 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.801 11.099 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.148 9.822 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.047 9.352 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.145 8.126 -8.125 1.00 0.00 H new ATOM 1753 N CYS B 7 13.160 9.345 -4.298 1.00 0.00 N ATOM 1754 CA CYS B 7 11.779 9.405 -3.733 1.00 0.00 C ATOM 1755 C CYS B 7 11.020 10.529 -4.440 1.00 0.00 C ATOM 1756 O CYS B 7 11.133 11.683 -4.078 1.00 0.00 O ATOM 1757 CB CYS B 7 11.834 9.693 -2.228 1.00 0.00 C ATOM 1758 SG CYS B 7 13.152 8.722 -1.458 1.00 0.00 S ATOM 0 H CYS B 7 13.795 10.060 -3.944 1.00 0.00 H new ATOM 0 HA CYS B 7 11.276 8.450 -3.886 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.008 10.756 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.876 9.450 -1.768 1.00 0.00 H new ATOM 1763 N GLU B 8 10.258 10.213 -5.452 1.00 0.00 N ATOM 1764 CA GLU B 8 9.514 11.285 -6.177 1.00 0.00 C ATOM 1765 C GLU B 8 8.210 11.608 -5.444 1.00 0.00 C ATOM 1766 O GLU B 8 7.166 11.806 -6.048 1.00 0.00 O ATOM 1767 CB GLU B 8 9.206 10.826 -7.604 1.00 0.00 C ATOM 1768 CG GLU B 8 8.770 9.362 -7.585 1.00 0.00 C ATOM 1769 CD GLU B 8 8.096 9.013 -8.914 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.633 9.386 -9.943 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.056 8.376 -8.878 1.00 0.00 O ATOM 0 H GLU B 8 10.118 9.267 -5.807 1.00 0.00 H new ATOM 0 HA GLU B 8 10.131 12.183 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.419 11.445 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.087 10.946 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.633 8.717 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.081 9.187 -6.759 1.00 0.00 H new ATOM 1778 N GLY B 9 8.266 11.703 -4.147 1.00 0.00 N ATOM 1779 CA GLY B 9 7.044 12.058 -3.384 1.00 0.00 C ATOM 1780 C GLY B 9 6.729 13.533 -3.701 1.00 0.00 C ATOM 1781 O GLY B 9 6.767 13.903 -4.858 1.00 0.00 O ATOM 0 H GLY B 9 9.103 11.550 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.211 11.416 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.203 11.918 -2.315 1.00 0.00 H new ATOM 1785 N PRO B 10 6.444 14.363 -2.709 1.00 0.00 N ATOM 1786 CA PRO B 10 6.165 15.786 -2.982 1.00 0.00 C ATOM 1787 C PRO B 10 7.448 16.469 -3.490 1.00 0.00 C ATOM 1788 O PRO B 10 7.625 17.664 -3.352 1.00 0.00 O ATOM 1789 CB PRO B 10 5.709 16.374 -1.625 1.00 0.00 C ATOM 1790 CG PRO B 10 5.848 15.247 -0.560 1.00 0.00 C ATOM 1791 CD PRO B 10 6.361 13.981 -1.284 1.00 0.00 C ATOM 0 HA PRO B 10 5.404 15.933 -3.748 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.320 17.235 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.678 16.721 -1.684 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.541 15.546 0.226 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.888 15.052 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.334 13.674 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.682 13.141 -1.139 1.00 0.00 H new ATOM 1799 N SER B 11 8.340 15.713 -4.071 1.00 0.00 N ATOM 1800 CA SER B 11 9.611 16.293 -4.586 1.00 0.00 C ATOM 1801 C SER B 11 9.381 16.866 -5.987 1.00 0.00 C ATOM 1802 O SER B 11 9.888 17.917 -6.330 1.00 0.00 O ATOM 1803 CB SER B 11 10.672 15.189 -4.652 1.00 0.00 C ATOM 1804 OG SER B 11 11.843 15.700 -5.278 1.00 0.00 O ATOM 0 H SER B 11 8.240 14.708 -4.212 1.00 0.00 H new ATOM 0 HA SER B 11 9.948 17.090 -3.923 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.907 14.834 -3.649 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.290 14.335 -5.211 1.00 0.00 H new ATOM 0 HG SER B 11 12.524 14.997 -5.321 1.00 0.00 H new ATOM 1810 N HIS B 12 8.623 16.184 -6.801 1.00 0.00 N ATOM 1811 CA HIS B 12 8.364 16.690 -8.179 1.00 0.00 C ATOM 1812 C HIS B 12 7.585 18.006 -8.104 1.00 0.00 C ATOM 1813 O HIS B 12 7.924 18.897 -7.351 1.00 0.00 O ATOM 1814 CB HIS B 12 7.546 15.655 -8.954 1.00 0.00 C ATOM 1815 CG HIS B 12 7.550 16.004 -10.418 1.00 0.00 C ATOM 1816 ND1 HIS B 12 6.402 16.405 -11.084 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.551 16.015 -11.356 1.00 0.00 C ATOM 1818 CE1 HIS B 12 6.739 16.637 -12.366 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.037 16.415 -12.586 1.00 0.00 N ATOM 0 H HIS B 12 8.172 15.298 -6.572 1.00 0.00 H new ATOM 0 HA HIS B 12 9.313 16.861 -8.688 1.00 0.00 H new ATOM 0 HB2 HIS B 12 7.965 14.660 -8.806 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.523 15.629 -8.578 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.582 15.753 -11.168 1.00 0.00 H new ATOM 0 HE1 HIS B 12 6.044 16.963 -13.125 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.543 16.517 -13.466 1.00 0.00 H new ATOM 1827 N GLY B 13 6.544 18.138 -8.882 1.00 0.00 N ATOM 1828 CA GLY B 13 5.749 19.398 -8.853 1.00 0.00 C ATOM 1829 C GLY B 13 4.464 19.212 -9.661 1.00 0.00 C ATOM 1830 O GLY B 13 4.319 19.886 -10.669 1.00 0.00 O ATOM 1831 OXT GLY B 13 3.646 18.402 -9.260 1.00 0.00 O ATOM 0 H GLY B 13 6.211 17.429 -9.535 1.00 0.00 H new ATOM 0 HA2 GLY B 13 5.508 19.664 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.335 20.219 -9.266 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.213 -9.753 -1.310 1.00 0.24 O HETATM 1839 O HOH A 107 8.705 -3.087 5.256 1.00 0.40 O HETATM 1842 O HOH A 108 12.888 1.430 2.149 1.00 0.32 O HETATM 1845 O HOH A 109 -8.819 -8.426 0.242 1.00 0.26 O HETATM 1848 O HOH A 110 -7.408 -13.052 0.352 1.00 0.21 O HETATM 1851 O HOH A 111 -12.163 -2.655 0.287 1.00 0.37 O