USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0344 (180deg=-0.0173) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -0.0878 (180deg=-0.727) USER MOD Single : A 4 GLN : amide:sc=-0.00585 K(o=-0.0059,f=-1.3!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.0126 (180deg=-0.24) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 149:sc= 0.011 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= -1.47 (180deg=-2.55!) USER MOD Single : A 43 HIS : no HD1:sc= -0.375 X(o=-0.38,f=-0.03) USER MOD Single : A 44 SER OG : rot -20:sc= -0.557 USER MOD Single : A 46 SER OG : rot 92:sc= -0.503 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.22 X(o=-1.2,f=-1.7) USER MOD Single : A 63 GLN : amide:sc= -2.3! K(o=-2.3!,f=0.015) USER MOD Single : A 67 SER OG : rot 90:sc= 0.991 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.238) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.809 USER MOD Single : A 76 THR OG1 : rot -58:sc= -0.773 USER MOD Single : A 78 GLN : amide:sc= -2.71 K(o=-2.7,f=-4.5!) USER MOD Single : A 81 LYS NZ :NH3+ -152:sc= 0.0634 (180deg=-0.103) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 111:sc= 1.27 USER MOD Single : A 93 ASN : amide:sc= -2.94! K(o=-2.9!,f=-1.3) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00539) USER MOD Single : A 96 LYS NZ :NH3+ -153:sc= -0.136 (180deg=-0.695) USER MOD Single : A 100 THR OG1 : rot 82:sc= 0.379 USER MOD Single : A 102 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.8) USER MOD Single : B 1 PHE N :NH3+ -145:sc= 1.02 (180deg=0.169) USER MOD Single : B 5 TYR OH : rot 7:sc= -4.77! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.841 X(o=-0.84,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.281 -3.202 7.552 1.00 0.73 N ATOM 2 CA MET A 1 -6.528 -2.236 8.399 1.00 0.31 C ATOM 3 C MET A 1 -5.112 -2.069 7.831 1.00 0.24 C ATOM 4 O MET A 1 -4.895 -2.195 6.642 1.00 0.21 O ATOM 5 CB MET A 1 -6.469 -2.766 9.846 1.00 0.70 C ATOM 6 CG MET A 1 -6.412 -1.599 10.840 1.00 1.55 C ATOM 7 SD MET A 1 -5.992 -2.231 12.484 1.00 2.25 S ATOM 8 CE MET A 1 -5.807 -0.627 13.302 1.00 2.89 C ATOM 0 H1 MET A 1 -8.201 -2.793 7.293 1.00 0.73 H new ATOM 0 H2 MET A 1 -6.737 -3.404 6.689 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.431 -4.084 8.081 1.00 0.73 H new ATOM 0 HA MET A 1 -7.027 -1.267 8.400 1.00 0.31 H new ATOM 0 HB2 MET A 1 -7.344 -3.384 10.050 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.593 -3.402 9.972 1.00 0.70 H new ATOM 0 HG2 MET A 1 -5.670 -0.869 10.518 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.373 -1.085 10.870 1.00 1.55 H new ATOM 0 HE1 MET A 1 -5.543 -0.780 14.348 1.00 2.89 H new ATOM 0 HE2 MET A 1 -5.020 -0.056 12.809 1.00 2.89 H new ATOM 0 HE3 MET A 1 -6.746 -0.077 13.242 1.00 2.89 H new ATOM 20 N VAL A 2 -4.148 -1.786 8.669 1.00 0.24 N ATOM 21 CA VAL A 2 -2.746 -1.610 8.179 1.00 0.19 C ATOM 22 C VAL A 2 -1.959 -2.910 8.379 1.00 0.22 C ATOM 23 O VAL A 2 -2.236 -3.685 9.273 1.00 0.28 O ATOM 24 CB VAL A 2 -2.074 -0.485 8.968 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.612 -0.357 8.535 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.801 0.832 8.696 1.00 0.30 C ATOM 0 H VAL A 2 -4.271 -1.669 9.675 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.763 -1.359 7.118 1.00 0.19 H new ATOM 0 HB VAL A 2 -2.118 -0.714 10.033 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.135 0.445 9.098 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.092 -1.295 8.728 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.567 -0.129 7.470 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.323 1.634 9.258 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.757 1.059 7.631 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.842 0.743 9.005 1.00 0.30 H new ATOM 36 N LYS A 3 -0.973 -3.148 7.555 1.00 0.18 N ATOM 37 CA LYS A 3 -0.152 -4.389 7.692 1.00 0.22 C ATOM 38 C LYS A 3 1.233 -4.136 7.094 1.00 0.16 C ATOM 39 O LYS A 3 1.369 -3.845 5.922 1.00 0.13 O ATOM 40 CB LYS A 3 -0.818 -5.550 6.943 1.00 0.26 C ATOM 41 CG LYS A 3 -0.201 -6.874 7.405 1.00 0.34 C ATOM 42 CD LYS A 3 -0.732 -8.012 6.533 1.00 0.81 C ATOM 43 CE LYS A 3 -0.251 -9.353 7.091 1.00 1.37 C ATOM 44 NZ LYS A 3 1.198 -9.265 7.424 1.00 1.97 N ATOM 0 H LYS A 3 -0.699 -2.533 6.789 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.067 -4.649 8.747 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.892 -5.551 7.132 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.683 -5.429 5.868 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.886 -6.825 7.337 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.447 -7.057 8.451 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.821 -7.987 6.508 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.387 -7.889 5.507 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.824 -9.614 7.981 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.419 -10.144 6.360 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.598 -10.223 7.491 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.694 -8.735 6.679 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.316 -8.776 8.334 1.00 1.97 H new ATOM 58 N GLN A 4 2.264 -4.237 7.889 1.00 0.18 N ATOM 59 CA GLN A 4 3.640 -3.994 7.366 1.00 0.15 C ATOM 60 C GLN A 4 4.227 -5.299 6.823 1.00 0.13 C ATOM 61 O GLN A 4 4.139 -6.342 7.441 1.00 0.14 O ATOM 62 CB GLN A 4 4.522 -3.460 8.506 1.00 0.20 C ATOM 63 CG GLN A 4 6.012 -3.589 8.140 1.00 0.21 C ATOM 64 CD GLN A 4 6.846 -2.649 9.015 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.357 -2.111 9.987 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.095 -2.429 8.706 1.00 0.98 N ATOM 0 H GLN A 4 2.213 -4.477 8.879 1.00 0.18 H new ATOM 0 HA GLN A 4 3.602 -3.263 6.559 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.279 -2.416 8.703 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.317 -4.014 9.422 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.342 -4.618 8.279 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.159 -3.347 7.088 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.506 -2.881 7.889 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.660 -1.805 9.281 1.00 0.98 H new ATOM 75 N ILE A 5 4.848 -5.230 5.675 1.00 0.10 N ATOM 76 CA ILE A 5 5.480 -6.438 5.066 1.00 0.10 C ATOM 77 C ILE A 5 6.995 -6.292 5.214 1.00 0.10 C ATOM 78 O ILE A 5 7.597 -5.419 4.622 1.00 0.11 O ATOM 79 CB ILE A 5 5.131 -6.509 3.572 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.668 -6.082 3.331 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.364 -7.927 3.044 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.681 -6.977 4.095 1.00 0.19 C ATOM 0 H ILE A 5 4.945 -4.376 5.126 1.00 0.10 H new ATOM 0 HA ILE A 5 5.122 -7.342 5.559 1.00 0.10 H new ATOM 0 HB ILE A 5 5.781 -5.820 3.033 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.535 -5.046 3.642 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.447 -6.125 2.264 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.113 -7.966 1.984 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.411 -8.198 3.180 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.734 -8.627 3.592 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.662 -6.644 3.899 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.795 -8.009 3.765 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.885 -6.913 5.164 1.00 0.19 H new ATOM 94 N GLU A 6 7.614 -7.126 6.003 1.00 0.11 N ATOM 95 CA GLU A 6 9.092 -7.019 6.194 1.00 0.14 C ATOM 96 C GLU A 6 9.803 -8.059 5.326 1.00 0.14 C ATOM 97 O GLU A 6 11.006 -8.023 5.165 1.00 0.17 O ATOM 98 CB GLU A 6 9.418 -7.269 7.665 1.00 0.18 C ATOM 99 CG GLU A 6 8.455 -6.471 8.546 1.00 0.31 C ATOM 100 CD GLU A 6 8.827 -6.668 10.016 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.011 -6.675 10.311 1.00 1.96 O ATOM 102 OE2 GLU A 6 7.923 -6.808 10.823 1.00 1.97 O ATOM 0 H GLU A 6 7.163 -7.877 6.524 1.00 0.11 H new ATOM 0 HA GLU A 6 9.430 -6.024 5.903 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.337 -8.332 7.890 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.447 -6.976 7.875 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.500 -5.413 8.287 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.430 -6.798 8.372 1.00 0.31 H new ATOM 109 N SER A 7 9.074 -8.984 4.759 1.00 0.13 N ATOM 110 CA SER A 7 9.723 -10.016 3.898 1.00 0.15 C ATOM 111 C SER A 7 8.716 -10.559 2.884 1.00 0.14 C ATOM 112 O SER A 7 7.518 -10.480 3.076 1.00 0.12 O ATOM 113 CB SER A 7 10.233 -11.158 4.769 1.00 0.20 C ATOM 114 OG SER A 7 9.205 -11.567 5.660 1.00 0.23 O ATOM 0 H SER A 7 8.062 -9.070 4.854 1.00 0.13 H new ATOM 0 HA SER A 7 10.558 -9.562 3.364 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.543 -11.996 4.145 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.110 -10.838 5.331 1.00 0.20 H new ATOM 0 HG SER A 7 9.531 -12.303 6.220 1.00 0.23 H new ATOM 120 N LYS A 8 9.197 -11.114 1.807 1.00 0.15 N ATOM 121 CA LYS A 8 8.282 -11.672 0.776 1.00 0.14 C ATOM 122 C LYS A 8 7.289 -12.636 1.434 1.00 0.14 C ATOM 123 O LYS A 8 6.218 -12.889 0.921 1.00 0.13 O ATOM 124 CB LYS A 8 9.107 -12.424 -0.272 1.00 0.17 C ATOM 125 CG LYS A 8 8.254 -12.676 -1.519 1.00 0.21 C ATOM 126 CD LYS A 8 8.919 -13.746 -2.387 1.00 0.22 C ATOM 127 CE LYS A 8 8.091 -13.965 -3.656 1.00 1.06 C ATOM 128 NZ LYS A 8 6.800 -14.618 -3.302 1.00 1.90 N ATOM 0 H LYS A 8 10.191 -11.205 1.597 1.00 0.15 H new ATOM 0 HA LYS A 8 7.731 -10.861 0.299 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.992 -11.845 -0.536 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.457 -13.371 0.138 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.254 -12.998 -1.229 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.139 -11.752 -2.086 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.931 -13.438 -2.650 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.004 -14.679 -1.830 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.905 -13.011 -4.150 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.644 -14.587 -4.361 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.362 -15.010 -4.160 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.974 -15.385 -2.621 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.161 -13.916 -2.877 1.00 1.90 H new ATOM 142 N THR A 9 7.641 -13.185 2.564 1.00 0.16 N ATOM 143 CA THR A 9 6.723 -14.140 3.249 1.00 0.18 C ATOM 144 C THR A 9 5.416 -13.440 3.629 1.00 0.16 C ATOM 145 O THR A 9 4.338 -13.918 3.342 1.00 0.17 O ATOM 146 CB THR A 9 7.397 -14.671 4.510 1.00 0.21 C ATOM 147 OG1 THR A 9 8.699 -15.139 4.189 1.00 0.24 O ATOM 148 CG2 THR A 9 6.568 -15.816 5.093 1.00 0.25 C ATOM 0 H THR A 9 8.525 -13.014 3.043 1.00 0.16 H new ATOM 0 HA THR A 9 6.499 -14.964 2.572 1.00 0.18 H new ATOM 0 HB THR A 9 7.471 -13.871 5.246 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.133 -15.479 4.999 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.052 -16.194 5.994 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.571 -15.453 5.342 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.490 -16.619 4.360 1.00 0.25 H new ATOM 156 N ALA A 10 5.507 -12.316 4.283 1.00 0.16 N ATOM 157 CA ALA A 10 4.275 -11.583 4.697 1.00 0.17 C ATOM 158 C ALA A 10 3.562 -11.017 3.461 1.00 0.15 C ATOM 159 O ALA A 10 2.381 -10.736 3.495 1.00 0.17 O ATOM 160 CB ALA A 10 4.668 -10.445 5.652 1.00 0.20 C ATOM 0 H ALA A 10 6.385 -11.870 4.550 1.00 0.16 H new ATOM 0 HA ALA A 10 3.594 -12.265 5.206 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.774 -9.903 5.960 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.161 -10.861 6.531 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.349 -9.762 5.144 1.00 0.20 H new ATOM 166 N PHE A 11 4.261 -10.848 2.374 1.00 0.12 N ATOM 167 CA PHE A 11 3.605 -10.298 1.150 1.00 0.11 C ATOM 168 C PHE A 11 2.465 -11.218 0.719 1.00 0.13 C ATOM 169 O PHE A 11 1.314 -10.834 0.726 1.00 0.16 O ATOM 170 CB PHE A 11 4.632 -10.190 0.017 1.00 0.10 C ATOM 171 CG PHE A 11 3.948 -9.735 -1.252 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.472 -8.414 -1.362 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.787 -10.631 -2.330 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.837 -7.989 -2.545 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.152 -10.205 -3.512 1.00 0.18 C ATOM 176 CZ PHE A 11 2.677 -8.884 -3.620 1.00 0.21 C ATOM 0 H PHE A 11 5.253 -11.065 2.278 1.00 0.12 H new ATOM 0 HA PHE A 11 3.206 -9.308 1.372 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.417 -9.485 0.291 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.113 -11.155 -0.144 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.594 -7.726 -0.538 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.151 -11.644 -2.248 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.472 -6.976 -2.628 1.00 0.20 H new ATOM 0 HE2 PHE A 11 3.029 -10.892 -4.336 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.190 -8.557 -4.527 1.00 0.21 H new ATOM 186 N GLN A 12 2.772 -12.425 0.338 1.00 0.15 N ATOM 187 CA GLN A 12 1.698 -13.361 -0.104 1.00 0.19 C ATOM 188 C GLN A 12 0.642 -13.495 0.996 1.00 0.17 C ATOM 189 O GLN A 12 -0.544 -13.431 0.742 1.00 0.16 O ATOM 190 CB GLN A 12 2.306 -14.735 -0.387 1.00 0.24 C ATOM 191 CG GLN A 12 3.359 -14.614 -1.489 1.00 1.21 C ATOM 192 CD GLN A 12 4.135 -15.927 -1.598 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.993 -16.208 -0.785 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.868 -16.750 -2.575 1.00 2.47 N ATOM 0 H GLN A 12 3.718 -12.805 0.313 1.00 0.15 H new ATOM 0 HA GLN A 12 1.232 -12.970 -1.008 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.758 -15.137 0.519 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.526 -15.433 -0.691 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.880 -14.382 -2.440 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.041 -13.793 -1.267 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.148 -16.515 -3.258 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.380 -17.629 -2.656 1.00 2.47 H new ATOM 203 N GLU A 13 1.063 -13.691 2.212 1.00 0.19 N ATOM 204 CA GLU A 13 0.087 -13.841 3.325 1.00 0.20 C ATOM 205 C GLU A 13 -0.804 -12.597 3.417 1.00 0.18 C ATOM 206 O GLU A 13 -1.969 -12.688 3.749 1.00 0.19 O ATOM 207 CB GLU A 13 0.854 -14.030 4.638 1.00 0.25 C ATOM 208 CG GLU A 13 1.323 -15.484 4.767 1.00 0.30 C ATOM 209 CD GLU A 13 2.285 -15.607 5.950 1.00 1.29 C ATOM 210 OE1 GLU A 13 3.212 -14.816 6.018 1.00 2.03 O ATOM 211 OE2 GLU A 13 2.078 -16.488 6.768 1.00 2.10 O ATOM 0 H GLU A 13 2.044 -13.754 2.484 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.546 -14.709 3.139 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.712 -13.359 4.667 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.216 -13.769 5.482 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.466 -16.142 4.911 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.817 -15.801 3.848 1.00 0.30 H new ATOM 218 N ALA A 14 -0.275 -11.440 3.136 1.00 0.18 N ATOM 219 CA ALA A 14 -1.110 -10.209 3.222 1.00 0.18 C ATOM 220 C ALA A 14 -2.274 -10.305 2.226 1.00 0.18 C ATOM 221 O ALA A 14 -3.409 -10.015 2.548 1.00 0.19 O ATOM 222 CB ALA A 14 -0.251 -8.991 2.888 1.00 0.20 C ATOM 0 H ALA A 14 0.694 -11.293 2.852 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.508 -10.109 4.232 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.859 -8.089 2.950 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.574 -8.922 3.597 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.146 -9.092 1.878 1.00 0.20 H new ATOM 228 N LEU A 15 -1.989 -10.708 1.018 1.00 0.17 N ATOM 229 CA LEU A 15 -3.061 -10.830 -0.019 1.00 0.18 C ATOM 230 C LEU A 15 -4.055 -11.918 0.394 1.00 0.18 C ATOM 231 O LEU A 15 -5.250 -11.702 0.418 1.00 0.18 O ATOM 232 CB LEU A 15 -2.433 -11.197 -1.373 1.00 0.19 C ATOM 233 CG LEU A 15 -1.131 -10.416 -1.582 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.522 -10.791 -2.935 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.424 -8.913 -1.557 1.00 0.62 C ATOM 0 H LEU A 15 -1.053 -10.961 0.700 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.583 -9.877 -0.109 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.233 -12.268 -1.411 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.132 -10.974 -2.179 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.430 -10.663 -0.785 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.404 -10.236 -3.084 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.311 -11.860 -2.955 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.225 -10.545 -3.731 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.497 -8.359 -1.706 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.126 -8.666 -2.353 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.858 -8.643 -0.594 1.00 0.62 H new ATOM 247 N ASP A 16 -3.571 -13.086 0.712 1.00 0.19 N ATOM 248 CA ASP A 16 -4.488 -14.187 1.115 1.00 0.21 C ATOM 249 C ASP A 16 -5.237 -13.788 2.387 1.00 0.20 C ATOM 250 O ASP A 16 -6.394 -14.115 2.567 1.00 0.20 O ATOM 251 CB ASP A 16 -3.676 -15.457 1.376 1.00 0.24 C ATOM 252 CG ASP A 16 -4.625 -16.614 1.689 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.805 -16.480 1.408 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.156 -17.616 2.203 1.00 1.09 O ATOM 0 H ASP A 16 -2.580 -13.325 0.710 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.206 -14.373 0.316 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.067 -15.698 0.504 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.991 -15.299 2.209 1.00 0.24 H new ATOM 259 N ALA A 17 -4.588 -13.084 3.272 1.00 0.22 N ATOM 260 CA ALA A 17 -5.266 -12.664 4.532 1.00 0.24 C ATOM 261 C ALA A 17 -6.149 -11.446 4.254 1.00 0.21 C ATOM 262 O ALA A 17 -7.013 -11.103 5.038 1.00 0.22 O ATOM 263 CB ALA A 17 -4.211 -12.302 5.580 1.00 0.30 C ATOM 0 H ALA A 17 -3.619 -12.781 3.178 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.883 -13.482 4.904 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.705 -11.995 6.502 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.581 -13.170 5.777 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.595 -11.484 5.208 1.00 0.30 H new ATOM 269 N ALA A 18 -5.944 -10.789 3.145 1.00 0.21 N ATOM 270 CA ALA A 18 -6.775 -9.594 2.820 1.00 0.22 C ATOM 271 C ALA A 18 -8.212 -10.035 2.532 1.00 0.21 C ATOM 272 O ALA A 18 -9.138 -9.252 2.608 1.00 0.24 O ATOM 273 CB ALA A 18 -6.200 -8.892 1.589 1.00 0.23 C ATOM 0 H ALA A 18 -5.237 -11.028 2.450 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.769 -8.906 3.666 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.807 -8.019 1.351 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.177 -8.578 1.794 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.206 -9.579 0.743 1.00 0.23 H new ATOM 279 N GLY A 19 -8.403 -11.283 2.202 1.00 0.22 N ATOM 280 CA GLY A 19 -9.780 -11.772 1.911 1.00 0.24 C ATOM 281 C GLY A 19 -10.183 -11.365 0.492 1.00 0.20 C ATOM 282 O GLY A 19 -9.698 -11.908 -0.480 1.00 0.28 O ATOM 0 H GLY A 19 -7.666 -11.984 2.121 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.820 -12.856 2.014 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.484 -11.357 2.632 1.00 0.24 H new ATOM 286 N ASP A 20 -11.075 -10.414 0.369 1.00 0.13 N ATOM 287 CA ASP A 20 -11.528 -9.966 -0.986 1.00 0.18 C ATOM 288 C ASP A 20 -11.637 -8.437 -1.011 1.00 0.15 C ATOM 289 O ASP A 20 -11.949 -7.851 -2.028 1.00 0.22 O ATOM 290 CB ASP A 20 -12.899 -10.595 -1.285 1.00 0.26 C ATOM 291 CG ASP A 20 -13.567 -9.885 -2.468 1.00 1.43 C ATOM 292 OD1 ASP A 20 -14.257 -8.907 -2.234 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.376 -10.331 -3.586 1.00 2.21 O ATOM 0 H ASP A 20 -11.511 -9.926 1.151 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.809 -10.281 -1.742 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.779 -11.655 -1.510 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.537 -10.527 -0.404 1.00 0.26 H new ATOM 298 N LYS A 21 -11.383 -7.782 0.089 1.00 0.12 N ATOM 299 CA LYS A 21 -11.475 -6.300 0.092 1.00 0.19 C ATOM 300 C LYS A 21 -10.366 -5.737 -0.788 1.00 0.15 C ATOM 301 O LYS A 21 -9.457 -6.440 -1.185 1.00 0.15 O ATOM 302 CB LYS A 21 -11.303 -5.790 1.522 1.00 0.27 C ATOM 303 CG LYS A 21 -12.618 -5.945 2.284 1.00 0.29 C ATOM 304 CD LYS A 21 -12.374 -5.630 3.762 1.00 0.30 C ATOM 305 CE LYS A 21 -13.704 -5.371 4.478 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.372 -6.670 4.772 1.00 1.90 N ATOM 0 H LYS A 21 -11.118 -8.207 0.977 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.445 -5.983 -0.291 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.512 -6.347 2.025 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -10.999 -4.743 1.511 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.372 -5.273 1.875 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.001 -6.959 2.173 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.854 -6.462 4.237 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.728 -4.757 3.853 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.530 -4.822 5.403 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.349 -4.751 3.856 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.275 -6.494 5.258 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.551 -7.178 3.882 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.757 -7.246 5.382 1.00 1.90 H new ATOM 320 N LEU A 22 -10.426 -4.475 -1.101 1.00 0.13 N ATOM 321 CA LEU A 22 -9.369 -3.885 -1.955 1.00 0.11 C ATOM 322 C LEU A 22 -8.041 -3.956 -1.187 1.00 0.10 C ATOM 323 O LEU A 22 -8.026 -4.152 0.012 1.00 0.11 O ATOM 324 CB LEU A 22 -9.747 -2.420 -2.274 1.00 0.12 C ATOM 325 CG LEU A 22 -9.525 -2.082 -3.756 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.825 -0.595 -3.965 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.073 -2.364 -4.167 1.00 0.11 C ATOM 0 H LEU A 22 -11.159 -3.831 -0.803 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.268 -4.428 -2.895 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.792 -2.250 -2.015 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.152 -1.748 -1.655 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.184 -2.700 -4.366 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.672 -0.337 -5.013 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.859 -0.390 -3.688 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.157 0.002 -3.343 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.939 -2.118 -5.220 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.399 -1.756 -3.563 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.849 -3.419 -4.010 1.00 0.11 H new ATOM 339 N VAL A 23 -6.927 -3.801 -1.856 1.00 0.08 N ATOM 340 CA VAL A 23 -5.613 -3.862 -1.144 1.00 0.09 C ATOM 341 C VAL A 23 -4.639 -2.869 -1.777 1.00 0.08 C ATOM 342 O VAL A 23 -4.093 -3.113 -2.836 1.00 0.09 O ATOM 343 CB VAL A 23 -5.035 -5.276 -1.248 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.887 -5.432 -0.253 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.125 -6.300 -0.925 1.00 0.10 C ATOM 0 H VAL A 23 -6.869 -3.635 -2.861 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.762 -3.607 -0.095 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.667 -5.442 -2.261 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.476 -6.439 -0.327 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.108 -4.704 -0.479 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.257 -5.265 0.759 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.712 -7.306 -0.999 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.493 -6.133 0.087 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.947 -6.192 -1.632 1.00 0.10 H new ATOM 355 N VAL A 24 -4.408 -1.752 -1.129 1.00 0.08 N ATOM 356 CA VAL A 24 -3.456 -0.738 -1.678 1.00 0.08 C ATOM 357 C VAL A 24 -2.139 -0.835 -0.912 1.00 0.08 C ATOM 358 O VAL A 24 -2.113 -0.861 0.303 1.00 0.08 O ATOM 359 CB VAL A 24 -4.041 0.667 -1.525 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.245 1.645 -2.389 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.503 0.660 -1.973 1.00 0.09 C ATOM 0 H VAL A 24 -4.840 -1.499 -0.240 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.285 -0.931 -2.737 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.983 0.976 -0.481 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.660 2.647 -2.281 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.203 1.648 -2.069 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.303 1.338 -3.433 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.922 1.661 -1.865 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.562 0.353 -3.017 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.069 -0.039 -1.357 1.00 0.09 H new ATOM 371 N VAL A 25 -1.046 -0.902 -1.622 1.00 0.09 N ATOM 372 CA VAL A 25 0.295 -1.017 -0.972 1.00 0.09 C ATOM 373 C VAL A 25 1.057 0.293 -1.136 1.00 0.10 C ATOM 374 O VAL A 25 1.096 0.866 -2.205 1.00 0.17 O ATOM 375 CB VAL A 25 1.079 -2.141 -1.654 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.233 -2.595 -0.758 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.135 -3.313 -1.913 1.00 0.09 C ATOM 0 H VAL A 25 -1.023 -0.882 -2.642 1.00 0.09 H new ATOM 0 HA VAL A 25 0.172 -1.234 0.089 1.00 0.09 H new ATOM 0 HB VAL A 25 1.490 -1.780 -2.597 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.784 -3.395 -1.252 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.902 -1.754 -0.572 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.836 -2.960 0.189 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.682 -4.121 -2.399 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.272 -3.669 -0.966 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.680 -2.987 -2.559 1.00 0.09 H new ATOM 387 N ASP A 26 1.672 0.758 -0.086 1.00 0.08 N ATOM 388 CA ASP A 26 2.453 2.026 -0.157 1.00 0.08 C ATOM 389 C ASP A 26 3.940 1.691 -0.097 1.00 0.08 C ATOM 390 O ASP A 26 4.484 1.425 0.957 1.00 0.09 O ATOM 391 CB ASP A 26 2.083 2.913 1.031 1.00 0.09 C ATOM 392 CG ASP A 26 2.958 4.167 1.025 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.821 4.956 0.105 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.752 4.316 1.939 1.00 0.93 O ATOM 0 H ASP A 26 1.667 0.309 0.830 1.00 0.08 H new ATOM 0 HA ASP A 26 2.229 2.552 -1.085 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.030 3.191 0.977 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.220 2.366 1.964 1.00 0.09 H new ATOM 399 N PHE A 27 4.608 1.705 -1.216 1.00 0.08 N ATOM 400 CA PHE A 27 6.062 1.392 -1.216 1.00 0.09 C ATOM 401 C PHE A 27 6.818 2.675 -0.876 1.00 0.11 C ATOM 402 O PHE A 27 7.310 3.363 -1.747 1.00 0.13 O ATOM 403 CB PHE A 27 6.479 0.919 -2.611 1.00 0.10 C ATOM 404 CG PHE A 27 6.062 -0.519 -2.836 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.751 -0.826 -3.254 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.996 -1.554 -2.644 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.378 -2.168 -3.477 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.623 -2.893 -2.869 1.00 0.21 C ATOM 409 CZ PHE A 27 5.315 -3.200 -3.285 1.00 0.23 C ATOM 0 H PHE A 27 4.209 1.920 -2.130 1.00 0.08 H new ATOM 0 HA PHE A 27 6.284 0.610 -0.490 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.024 1.557 -3.368 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.559 1.011 -2.724 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.032 -0.034 -3.403 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.001 -1.321 -2.324 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.373 -2.403 -3.795 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.342 -3.685 -2.722 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.030 -4.227 -3.457 1.00 0.23 H new ATOM 419 N SER A 28 6.894 3.006 0.391 1.00 0.11 N ATOM 420 CA SER A 28 7.604 4.253 0.824 1.00 0.12 C ATOM 421 C SER A 28 8.846 3.881 1.634 1.00 0.10 C ATOM 422 O SER A 28 8.894 2.850 2.275 1.00 0.11 O ATOM 423 CB SER A 28 6.670 5.088 1.697 1.00 0.17 C ATOM 424 OG SER A 28 5.580 5.549 0.911 1.00 1.03 O ATOM 0 H SER A 28 6.490 2.460 1.152 1.00 0.11 H new ATOM 0 HA SER A 28 7.899 4.825 -0.056 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.304 4.491 2.532 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.210 5.934 2.122 1.00 0.17 H new ATOM 0 HG SER A 28 4.783 5.633 1.475 1.00 1.03 H new ATOM 430 N ALA A 29 9.848 4.719 1.621 1.00 0.10 N ATOM 431 CA ALA A 29 11.089 4.428 2.399 1.00 0.15 C ATOM 432 C ALA A 29 11.011 5.133 3.759 1.00 0.18 C ATOM 433 O ALA A 29 10.763 6.320 3.844 1.00 0.26 O ATOM 434 CB ALA A 29 12.305 4.924 1.606 1.00 0.19 C ATOM 0 H ALA A 29 9.861 5.597 1.102 1.00 0.10 H new ATOM 0 HA ALA A 29 11.187 3.355 2.565 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.216 4.715 2.168 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.346 4.412 0.645 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.219 5.998 1.441 1.00 0.19 H new ATOM 440 N THR A 30 11.206 4.401 4.823 1.00 0.18 N ATOM 441 CA THR A 30 11.131 5.010 6.184 1.00 0.23 C ATOM 442 C THR A 30 12.283 5.998 6.398 1.00 0.26 C ATOM 443 O THR A 30 12.186 6.906 7.200 1.00 0.31 O ATOM 444 CB THR A 30 11.212 3.904 7.238 1.00 0.26 C ATOM 445 OG1 THR A 30 11.054 4.473 8.531 1.00 0.32 O ATOM 446 CG2 THR A 30 12.570 3.207 7.148 1.00 0.28 C ATOM 0 H THR A 30 11.415 3.403 4.809 1.00 0.18 H new ATOM 0 HA THR A 30 10.187 5.547 6.276 1.00 0.23 H new ATOM 0 HB THR A 30 10.421 3.175 7.061 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.104 3.766 9.208 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.625 2.420 7.900 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.690 2.771 6.156 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.364 3.933 7.324 1.00 0.28 H new ATOM 454 N TRP A 31 13.378 5.826 5.707 1.00 0.26 N ATOM 455 CA TRP A 31 14.534 6.757 5.895 1.00 0.32 C ATOM 456 C TRP A 31 14.385 7.966 4.971 1.00 0.32 C ATOM 457 O TRP A 31 15.060 8.964 5.127 1.00 0.36 O ATOM 458 CB TRP A 31 15.840 6.024 5.566 1.00 0.34 C ATOM 459 CG TRP A 31 15.914 5.734 4.100 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.543 4.571 3.516 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.388 6.599 3.030 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.760 4.665 2.152 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.277 5.896 1.800 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.900 7.917 3.003 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.660 6.482 0.584 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.287 8.509 1.785 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.167 7.793 0.576 1.00 0.40 C ATOM 0 H TRP A 31 13.524 5.084 5.022 1.00 0.26 H new ATOM 0 HA TRP A 31 14.554 7.096 6.931 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.693 6.632 5.867 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.896 5.094 6.132 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.143 3.710 4.030 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.562 3.916 1.488 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.995 8.474 3.923 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.566 5.930 -0.339 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.677 9.516 1.777 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.464 8.252 -0.355 1.00 0.40 H new ATOM 478 N CYS A 32 13.519 7.881 4.002 1.00 0.28 N ATOM 479 CA CYS A 32 13.344 9.017 3.053 1.00 0.30 C ATOM 480 C CYS A 32 12.212 9.932 3.533 1.00 0.31 C ATOM 481 O CYS A 32 11.133 9.489 3.872 1.00 0.29 O ATOM 482 CB CYS A 32 13.024 8.448 1.669 1.00 0.28 C ATOM 483 SG CYS A 32 13.553 9.621 0.397 1.00 0.32 S ATOM 0 H CYS A 32 12.923 7.073 3.825 1.00 0.28 H new ATOM 0 HA CYS A 32 14.258 9.608 3.003 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.530 7.493 1.531 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.954 8.258 1.581 1.00 0.28 H new ATOM 488 N GLY A 33 12.472 11.209 3.573 1.00 0.34 N ATOM 489 CA GLY A 33 11.447 12.183 4.038 1.00 0.36 C ATOM 490 C GLY A 33 10.282 12.295 3.039 1.00 0.35 C ATOM 491 O GLY A 33 9.155 12.063 3.407 1.00 0.33 O ATOM 0 H GLY A 33 13.363 11.624 3.300 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.065 11.874 5.011 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.908 13.162 4.172 1.00 0.36 H new ATOM 495 N PRO A 34 10.575 12.674 1.813 1.00 0.37 N ATOM 496 CA PRO A 34 9.529 12.853 0.781 1.00 0.38 C ATOM 497 C PRO A 34 8.585 11.645 0.720 1.00 0.35 C ATOM 498 O PRO A 34 7.400 11.790 0.494 1.00 0.36 O ATOM 499 CB PRO A 34 10.314 13.038 -0.537 1.00 0.42 C ATOM 500 CG PRO A 34 11.787 13.342 -0.142 1.00 0.44 C ATOM 501 CD PRO A 34 11.952 12.946 1.345 1.00 0.40 C ATOM 0 HA PRO A 34 8.882 13.704 0.992 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.256 12.139 -1.151 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.895 13.854 -1.126 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.478 12.779 -0.769 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.014 14.398 -0.287 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.588 12.068 1.453 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.415 13.748 1.920 1.00 0.40 H new ATOM 509 N ALA A 35 9.086 10.461 0.921 1.00 0.33 N ATOM 510 CA ALA A 35 8.190 9.272 0.871 1.00 0.32 C ATOM 511 C ALA A 35 7.388 9.200 2.171 1.00 0.39 C ATOM 512 O ALA A 35 6.175 9.273 2.173 1.00 0.81 O ATOM 513 CB ALA A 35 9.033 8.004 0.720 1.00 0.36 C ATOM 0 H ALA A 35 10.068 10.264 1.116 1.00 0.33 H new ATOM 0 HA ALA A 35 7.511 9.356 0.022 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.378 7.134 0.683 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.613 8.060 -0.201 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.709 7.913 1.570 1.00 0.36 H new ATOM 519 N LYS A 36 8.063 9.064 3.273 1.00 0.30 N ATOM 520 CA LYS A 36 7.369 8.992 4.587 1.00 0.28 C ATOM 521 C LYS A 36 6.555 10.269 4.820 1.00 0.24 C ATOM 522 O LYS A 36 5.648 10.300 5.628 1.00 0.25 O ATOM 523 CB LYS A 36 8.430 8.852 5.685 1.00 0.35 C ATOM 524 CG LYS A 36 7.761 8.753 7.059 1.00 0.38 C ATOM 525 CD LYS A 36 8.835 8.553 8.129 1.00 0.49 C ATOM 526 CE LYS A 36 8.169 8.280 9.479 1.00 1.22 C ATOM 527 NZ LYS A 36 9.196 8.339 10.558 1.00 1.92 N ATOM 0 H LYS A 36 9.080 8.999 3.322 1.00 0.30 H new ATOM 0 HA LYS A 36 6.692 8.138 4.603 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.037 7.965 5.503 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.103 9.709 5.661 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.190 9.659 7.265 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.056 7.922 7.074 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.483 7.720 7.857 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.466 9.439 8.196 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.386 9.015 9.666 1.00 1.22 H new ATOM 0 HE3 LYS A 36 7.691 7.300 9.470 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.745 8.154 11.477 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.928 7.622 10.380 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.632 9.283 10.571 1.00 1.92 H new ATOM 541 N MET A 37 6.880 11.324 4.130 1.00 0.23 N ATOM 542 CA MET A 37 6.138 12.599 4.326 1.00 0.24 C ATOM 543 C MET A 37 4.667 12.420 3.954 1.00 0.20 C ATOM 544 O MET A 37 3.827 13.212 4.335 1.00 0.20 O ATOM 545 CB MET A 37 6.756 13.699 3.459 1.00 0.29 C ATOM 546 CG MET A 37 5.932 14.980 3.596 1.00 1.31 C ATOM 547 SD MET A 37 6.882 16.374 2.936 1.00 2.12 S ATOM 548 CE MET A 37 6.336 17.624 4.128 1.00 3.13 C ATOM 0 H MET A 37 7.628 11.359 3.438 1.00 0.23 H new ATOM 0 HA MET A 37 6.205 12.884 5.376 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.786 13.882 3.765 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.785 13.382 2.416 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.990 14.880 3.058 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.684 15.157 4.643 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.812 18.578 3.899 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.253 17.735 4.069 1.00 3.13 H new ATOM 0 HE3 MET A 37 6.614 17.313 5.135 1.00 3.13 H new ATOM 558 N ILE A 38 4.345 11.402 3.196 1.00 0.18 N ATOM 559 CA ILE A 38 2.922 11.189 2.783 1.00 0.15 C ATOM 560 C ILE A 38 2.271 10.115 3.658 1.00 0.16 C ATOM 561 O ILE A 38 1.194 9.638 3.361 1.00 0.16 O ATOM 562 CB ILE A 38 2.878 10.744 1.313 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.953 11.507 0.529 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.493 11.054 0.711 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.820 11.209 -0.971 1.00 0.28 C ATOM 0 H ILE A 38 5.005 10.709 2.845 1.00 0.18 H new ATOM 0 HA ILE A 38 2.375 12.124 2.903 1.00 0.15 H new ATOM 0 HB ILE A 38 3.061 9.671 1.253 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.852 12.578 0.706 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.944 11.218 0.879 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.470 10.736 -0.331 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.725 10.520 1.271 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.303 12.126 0.767 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.587 11.755 -1.520 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.943 10.140 -1.142 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.835 11.521 -1.318 1.00 0.28 H new ATOM 577 N LYS A 39 2.893 9.716 4.740 1.00 0.19 N ATOM 578 CA LYS A 39 2.238 8.677 5.578 1.00 0.22 C ATOM 579 C LYS A 39 1.006 9.236 6.330 1.00 0.20 C ATOM 580 O LYS A 39 0.130 8.463 6.649 1.00 0.21 O ATOM 581 CB LYS A 39 3.218 7.985 6.573 1.00 0.31 C ATOM 582 CG LYS A 39 3.383 8.773 7.898 1.00 0.34 C ATOM 583 CD LYS A 39 4.341 8.061 8.880 1.00 0.45 C ATOM 584 CE LYS A 39 4.158 6.536 8.885 1.00 1.16 C ATOM 585 NZ LYS A 39 2.712 6.183 8.986 1.00 1.62 N ATOM 0 H LYS A 39 3.797 10.054 5.068 1.00 0.19 H new ATOM 0 HA LYS A 39 1.898 7.911 4.881 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.855 6.981 6.795 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.193 7.874 6.098 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.763 9.771 7.681 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.408 8.898 8.369 1.00 0.34 H new ATOM 0 HD2 LYS A 39 5.371 8.298 8.613 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.176 8.446 9.886 1.00 0.45 H new ATOM 0 HE2 LYS A 39 4.579 6.110 7.974 1.00 1.16 H new ATOM 0 HE3 LYS A 39 4.704 6.101 9.722 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.586 5.436 9.698 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 2.168 7.024 9.267 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 2.372 5.843 8.064 1.00 1.62 H new ATOM 599 N PRO A 40 0.931 10.529 6.644 1.00 0.20 N ATOM 600 CA PRO A 40 -0.233 11.020 7.399 1.00 0.21 C ATOM 601 C PRO A 40 -1.497 10.867 6.545 1.00 0.17 C ATOM 602 O PRO A 40 -2.595 11.128 6.990 1.00 0.20 O ATOM 603 CB PRO A 40 0.082 12.497 7.723 1.00 0.24 C ATOM 604 CG PRO A 40 1.520 12.779 7.211 1.00 0.25 C ATOM 605 CD PRO A 40 1.912 11.597 6.301 1.00 0.21 C ATOM 0 HA PRO A 40 -0.415 10.462 8.317 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.636 13.159 7.239 1.00 0.24 H new ATOM 0 HB3 PRO A 40 0.012 12.680 8.795 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.556 13.719 6.660 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.216 12.871 8.045 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.852 11.869 5.247 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.936 11.273 6.489 1.00 0.21 H new ATOM 613 N PHE A 41 -1.341 10.437 5.318 1.00 0.14 N ATOM 614 CA PHE A 41 -2.518 10.242 4.417 1.00 0.14 C ATOM 615 C PHE A 41 -2.757 8.743 4.241 1.00 0.11 C ATOM 616 O PHE A 41 -3.621 8.166 4.867 1.00 0.13 O ATOM 617 CB PHE A 41 -2.224 10.879 3.050 1.00 0.15 C ATOM 618 CG PHE A 41 -2.456 12.371 3.129 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.478 13.207 3.700 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.655 12.922 2.636 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.698 14.596 3.778 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.875 14.311 2.714 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.897 15.147 3.286 1.00 0.27 C ATOM 0 H PHE A 41 -0.439 10.211 4.898 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.402 10.711 4.849 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.194 10.675 2.756 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.866 10.440 2.287 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.559 12.784 4.078 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.405 12.280 2.199 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.948 15.238 4.215 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.793 14.735 2.335 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.067 16.212 3.347 1.00 0.27 H new ATOM 633 N PHE A 42 -1.993 8.117 3.394 1.00 0.10 N ATOM 634 CA PHE A 42 -2.157 6.653 3.146 1.00 0.11 C ATOM 635 C PHE A 42 -2.438 5.896 4.453 1.00 0.11 C ATOM 636 O PHE A 42 -3.439 5.219 4.581 1.00 0.12 O ATOM 637 CB PHE A 42 -0.867 6.118 2.529 1.00 0.13 C ATOM 638 CG PHE A 42 -0.984 4.629 2.334 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.701 4.126 1.237 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.373 3.745 3.245 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.809 2.740 1.045 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.483 2.354 3.054 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.202 1.850 1.953 1.00 0.10 C ATOM 0 H PHE A 42 -1.250 8.561 2.854 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.003 6.503 2.475 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.678 6.607 1.573 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.020 6.345 3.176 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.170 4.806 0.541 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.179 4.133 4.088 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.359 2.355 0.199 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.016 1.674 3.751 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.288 0.784 1.805 1.00 0.10 H new ATOM 653 N HIS A 43 -1.561 5.989 5.411 1.00 0.14 N ATOM 654 CA HIS A 43 -1.779 5.257 6.693 1.00 0.16 C ATOM 655 C HIS A 43 -3.013 5.814 7.423 1.00 0.16 C ATOM 656 O HIS A 43 -3.726 5.083 8.081 1.00 0.18 O ATOM 657 CB HIS A 43 -0.492 5.357 7.552 1.00 0.21 C ATOM 658 CG HIS A 43 -0.797 5.274 9.026 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.741 4.082 9.732 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.197 6.228 9.929 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.104 4.345 11.001 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.394 5.639 11.176 1.00 0.39 N ATOM 0 H HIS A 43 -0.703 6.539 5.364 1.00 0.14 H new ATOM 0 HA HIS A 43 -1.979 4.203 6.498 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.193 4.555 7.276 1.00 0.21 H new ATOM 0 HB3 HIS A 43 0.016 6.297 7.338 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.337 7.275 9.706 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.155 3.602 11.783 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.695 6.096 12.037 1.00 0.39 H new ATOM 670 N SER A 44 -3.283 7.085 7.316 1.00 0.20 N ATOM 671 CA SER A 44 -4.482 7.641 8.012 1.00 0.25 C ATOM 672 C SER A 44 -5.770 7.069 7.400 1.00 0.20 C ATOM 673 O SER A 44 -6.732 6.821 8.097 1.00 0.21 O ATOM 674 CB SER A 44 -4.493 9.164 7.902 1.00 0.34 C ATOM 675 OG SER A 44 -4.537 9.540 6.534 1.00 0.97 O ATOM 0 H SER A 44 -2.733 7.759 6.783 1.00 0.20 H new ATOM 0 HA SER A 44 -4.434 7.357 9.063 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.355 9.571 8.430 1.00 0.34 H new ATOM 0 HB3 SER A 44 -3.604 9.580 8.376 1.00 0.34 H new ATOM 0 HG SER A 44 -4.240 8.789 5.979 1.00 0.97 H new ATOM 681 N LEU A 45 -5.806 6.867 6.106 1.00 0.18 N ATOM 682 CA LEU A 45 -7.049 6.318 5.474 1.00 0.18 C ATOM 683 C LEU A 45 -7.498 5.067 6.231 1.00 0.16 C ATOM 684 O LEU A 45 -8.636 4.654 6.140 1.00 0.23 O ATOM 685 CB LEU A 45 -6.778 5.938 4.011 1.00 0.19 C ATOM 686 CG LEU A 45 -6.344 7.167 3.197 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.127 6.746 1.739 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.423 8.264 3.260 1.00 0.50 C ATOM 0 H LEU A 45 -5.037 7.056 5.464 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.827 7.081 5.513 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.001 5.175 3.967 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.676 5.504 3.571 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.419 7.565 3.615 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.819 7.611 1.152 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.352 5.981 1.693 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.056 6.346 1.334 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.099 9.127 2.678 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.357 7.880 2.850 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.578 8.563 4.297 1.00 0.50 H new ATOM 700 N SER A 46 -6.618 4.452 6.972 1.00 0.20 N ATOM 701 CA SER A 46 -7.007 3.225 7.723 1.00 0.25 C ATOM 702 C SER A 46 -8.193 3.529 8.644 1.00 0.17 C ATOM 703 O SER A 46 -8.917 2.641 9.050 1.00 0.15 O ATOM 704 CB SER A 46 -5.823 2.745 8.563 1.00 0.36 C ATOM 705 OG SER A 46 -4.698 2.547 7.718 1.00 0.51 O ATOM 0 H SER A 46 -5.648 4.745 7.090 1.00 0.20 H new ATOM 0 HA SER A 46 -7.294 2.449 7.014 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.588 3.479 9.334 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.077 1.816 9.073 1.00 0.36 H new ATOM 0 HG SER A 46 -4.165 3.369 7.685 1.00 0.51 H new ATOM 711 N GLU A 47 -8.397 4.777 8.983 1.00 0.21 N ATOM 712 CA GLU A 47 -9.534 5.140 9.886 1.00 0.21 C ATOM 713 C GLU A 47 -10.732 5.611 9.058 1.00 0.18 C ATOM 714 O GLU A 47 -11.866 5.500 9.476 1.00 0.18 O ATOM 715 CB GLU A 47 -9.093 6.270 10.822 1.00 0.32 C ATOM 716 CG GLU A 47 -7.717 5.946 11.408 1.00 0.39 C ATOM 717 CD GLU A 47 -7.784 4.617 12.162 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.562 4.528 13.097 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.056 3.710 11.791 1.00 2.00 O ATOM 0 H GLU A 47 -7.825 5.562 8.673 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.823 4.265 10.468 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.054 7.213 10.276 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.820 6.396 11.624 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -6.975 5.887 10.611 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.400 6.743 12.081 1.00 0.39 H new ATOM 726 N LYS A 48 -10.494 6.140 7.886 1.00 0.18 N ATOM 727 CA LYS A 48 -11.627 6.618 7.036 1.00 0.17 C ATOM 728 C LYS A 48 -12.101 5.479 6.134 1.00 0.15 C ATOM 729 O LYS A 48 -13.195 5.507 5.607 1.00 0.18 O ATOM 730 CB LYS A 48 -11.157 7.786 6.168 1.00 0.21 C ATOM 731 CG LYS A 48 -12.369 8.456 5.517 1.00 0.26 C ATOM 732 CD LYS A 48 -11.913 9.690 4.737 1.00 1.09 C ATOM 733 CE LYS A 48 -13.133 10.413 4.163 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.683 11.474 3.219 1.00 2.16 N ATOM 0 H LYS A 48 -9.566 6.262 7.480 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.447 6.945 7.676 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.611 8.508 6.775 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.469 7.430 5.401 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.870 7.755 4.849 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.093 8.742 6.280 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.355 10.360 5.391 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.240 9.396 3.932 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.780 9.703 3.648 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.720 10.853 4.969 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.512 11.966 2.829 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.082 12.156 3.724 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.140 11.042 2.444 1.00 2.16 H new ATOM 748 N TYR A 49 -11.279 4.474 5.954 1.00 0.13 N ATOM 749 CA TYR A 49 -11.660 3.316 5.087 1.00 0.13 C ATOM 750 C TYR A 49 -11.327 2.013 5.812 1.00 0.11 C ATOM 751 O TYR A 49 -10.521 1.225 5.360 1.00 0.11 O ATOM 752 CB TYR A 49 -10.878 3.390 3.769 1.00 0.15 C ATOM 753 CG TYR A 49 -11.534 4.397 2.856 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.780 4.098 2.274 1.00 0.19 C ATOM 755 CD2 TYR A 49 -10.913 5.634 2.596 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.405 5.032 1.429 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.536 6.571 1.754 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.785 6.272 1.168 1.00 0.21 C ATOM 759 OH TYR A 49 -13.397 7.191 0.342 1.00 0.24 O ATOM 0 H TYR A 49 -10.352 4.406 6.375 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.729 3.349 4.875 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.844 3.676 3.962 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -10.854 2.410 3.292 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.257 3.150 2.477 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -9.957 5.863 3.044 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.359 4.800 0.980 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.059 7.520 1.555 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.836 7.991 0.270 1.00 0.24 H new ATOM 769 N SER A 50 -11.949 1.779 6.932 1.00 0.12 N ATOM 770 CA SER A 50 -11.678 0.525 7.683 1.00 0.13 C ATOM 771 C SER A 50 -12.186 -0.663 6.864 1.00 0.13 C ATOM 772 O SER A 50 -12.029 -1.807 7.242 1.00 0.14 O ATOM 773 CB SER A 50 -12.398 0.574 9.031 1.00 0.16 C ATOM 774 OG SER A 50 -13.779 0.834 8.817 1.00 0.17 O ATOM 0 H SER A 50 -12.634 2.403 7.360 1.00 0.12 H new ATOM 0 HA SER A 50 -10.607 0.417 7.856 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.272 -0.372 9.558 1.00 0.16 H new ATOM 0 HB3 SER A 50 -11.963 1.350 9.660 1.00 0.16 H new ATOM 0 HG SER A 50 -14.244 0.864 9.679 1.00 0.17 H new ATOM 780 N ASN A 51 -12.796 -0.394 5.736 1.00 0.13 N ATOM 781 CA ASN A 51 -13.321 -1.494 4.874 1.00 0.15 C ATOM 782 C ASN A 51 -12.291 -1.831 3.795 1.00 0.13 C ATOM 783 O ASN A 51 -12.512 -2.688 2.962 1.00 0.14 O ATOM 784 CB ASN A 51 -14.617 -1.032 4.204 1.00 0.17 C ATOM 785 CG ASN A 51 -15.228 -2.193 3.418 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.952 -2.364 2.248 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.056 -3.006 4.018 1.00 0.32 N ATOM 0 H ASN A 51 -12.953 0.547 5.375 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.513 -2.376 5.484 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.322 -0.678 4.957 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.415 -0.194 3.537 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.470 -3.784 3.504 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.289 -2.863 5.001 1.00 0.32 H new ATOM 794 N VAL A 52 -11.167 -1.159 3.809 1.00 0.11 N ATOM 795 CA VAL A 52 -10.099 -1.420 2.792 1.00 0.10 C ATOM 796 C VAL A 52 -8.842 -1.914 3.498 1.00 0.10 C ATOM 797 O VAL A 52 -8.582 -1.575 4.636 1.00 0.11 O ATOM 798 CB VAL A 52 -9.773 -0.124 2.055 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.614 -0.362 1.084 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.010 0.343 1.286 1.00 0.12 C ATOM 0 H VAL A 52 -10.940 -0.433 4.488 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.448 -2.171 2.084 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.482 0.643 2.773 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.383 0.565 0.559 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.736 -0.693 1.639 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.896 -1.128 0.361 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.782 1.269 0.758 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.302 -0.423 0.567 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.829 0.516 1.984 1.00 0.12 H new ATOM 810 N ILE A 53 -8.058 -2.717 2.831 1.00 0.09 N ATOM 811 CA ILE A 53 -6.809 -3.248 3.453 1.00 0.09 C ATOM 812 C ILE A 53 -5.615 -2.412 2.973 1.00 0.09 C ATOM 813 O ILE A 53 -5.372 -2.288 1.791 1.00 0.14 O ATOM 814 CB ILE A 53 -6.607 -4.705 3.017 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.943 -5.473 3.067 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.560 -5.380 3.914 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.681 -5.251 4.396 1.00 0.17 C ATOM 0 H ILE A 53 -8.229 -3.031 1.876 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.887 -3.195 4.539 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.246 -4.719 1.989 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.578 -5.152 2.241 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.755 -6.538 2.929 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.422 -6.414 3.598 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.613 -4.847 3.833 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.900 -5.359 4.949 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.617 -5.809 4.390 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.057 -5.597 5.221 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.893 -4.189 4.522 1.00 0.17 H new ATOM 829 N PHE A 54 -4.868 -1.844 3.885 1.00 0.08 N ATOM 830 CA PHE A 54 -3.680 -1.016 3.502 1.00 0.08 C ATOM 831 C PHE A 54 -2.405 -1.744 3.924 1.00 0.08 C ATOM 832 O PHE A 54 -2.294 -2.230 5.031 1.00 0.11 O ATOM 833 CB PHE A 54 -3.749 0.333 4.223 1.00 0.08 C ATOM 834 CG PHE A 54 -4.951 1.100 3.724 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.964 1.602 2.408 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.058 1.312 4.569 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.083 2.315 1.937 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.178 2.025 4.098 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.189 2.527 2.783 1.00 0.09 C ATOM 0 H PHE A 54 -5.031 -1.918 4.889 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.676 -0.857 2.424 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.821 0.180 5.300 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.838 0.903 4.042 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.115 1.440 1.760 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.048 0.928 5.578 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.093 2.699 0.928 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.027 2.186 4.745 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.047 3.075 2.422 1.00 0.09 H new ATOM 849 N LEU A 55 -1.441 -1.827 3.044 1.00 0.08 N ATOM 850 CA LEU A 55 -0.154 -2.521 3.370 1.00 0.09 C ATOM 851 C LEU A 55 0.973 -1.484 3.378 1.00 0.09 C ATOM 852 O LEU A 55 0.811 -0.373 2.914 1.00 0.10 O ATOM 853 CB LEU A 55 0.146 -3.583 2.295 1.00 0.10 C ATOM 854 CG LEU A 55 -0.633 -4.880 2.567 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.134 -4.584 2.726 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.408 -5.842 1.388 1.00 0.12 C ATOM 0 H LEU A 55 -1.489 -1.440 2.102 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.231 -3.004 4.344 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.120 -3.195 1.312 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.215 -3.794 2.276 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.277 -5.333 3.493 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.670 -5.514 2.918 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.283 -3.900 3.561 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.514 -4.128 1.812 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.954 -6.768 1.565 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.766 -5.380 0.468 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.656 -6.060 1.294 1.00 0.12 H new ATOM 868 N GLU A 56 2.117 -1.849 3.887 1.00 0.09 N ATOM 869 CA GLU A 56 3.277 -0.907 3.917 1.00 0.09 C ATOM 870 C GLU A 56 4.531 -1.718 3.595 1.00 0.09 C ATOM 871 O GLU A 56 4.716 -2.807 4.103 1.00 0.10 O ATOM 872 CB GLU A 56 3.386 -0.262 5.315 1.00 0.09 C ATOM 873 CG GLU A 56 4.129 1.082 5.235 1.00 0.11 C ATOM 874 CD GLU A 56 3.901 1.874 6.527 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.162 1.330 7.588 1.00 1.31 O ATOM 876 OE2 GLU A 56 3.469 3.013 6.434 1.00 1.24 O ATOM 0 H GLU A 56 2.302 -2.768 4.288 1.00 0.09 H new ATOM 0 HA GLU A 56 3.153 -0.105 3.189 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.390 -0.109 5.729 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.912 -0.935 5.992 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.195 0.911 5.085 1.00 0.11 H new ATOM 0 HG3 GLU A 56 3.774 1.655 4.378 1.00 0.11 H new ATOM 883 N VAL A 57 5.376 -1.221 2.723 1.00 0.08 N ATOM 884 CA VAL A 57 6.601 -1.989 2.328 1.00 0.08 C ATOM 885 C VAL A 57 7.841 -1.094 2.377 1.00 0.09 C ATOM 886 O VAL A 57 7.807 0.062 2.001 1.00 0.14 O ATOM 887 CB VAL A 57 6.419 -2.502 0.896 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.663 -3.288 0.476 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.189 -3.412 0.823 1.00 0.09 C ATOM 0 H VAL A 57 5.270 -0.315 2.267 1.00 0.08 H new ATOM 0 HA VAL A 57 6.738 -2.818 3.023 1.00 0.08 H new ATOM 0 HB VAL A 57 6.278 -1.655 0.225 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.535 -3.654 -0.543 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.537 -2.638 0.521 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.804 -4.133 1.150 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.064 -3.774 -0.198 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.323 -4.260 1.495 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.303 -2.851 1.120 1.00 0.09 H new ATOM 899 N ASP A 58 8.946 -1.640 2.824 1.00 0.09 N ATOM 900 CA ASP A 58 10.218 -0.858 2.890 1.00 0.09 C ATOM 901 C ASP A 58 11.063 -1.202 1.657 1.00 0.10 C ATOM 902 O ASP A 58 11.687 -2.241 1.588 1.00 0.11 O ATOM 903 CB ASP A 58 10.979 -1.233 4.172 1.00 0.11 C ATOM 904 CG ASP A 58 11.986 -0.133 4.519 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.559 0.898 5.014 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.166 -0.340 4.287 1.00 1.08 O ATOM 0 H ASP A 58 9.020 -2.604 3.149 1.00 0.09 H new ATOM 0 HA ASP A 58 10.008 0.211 2.905 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.278 -1.369 4.995 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.497 -2.182 4.034 1.00 0.11 H new ATOM 911 N VAL A 59 11.063 -0.345 0.675 1.00 0.12 N ATOM 912 CA VAL A 59 11.840 -0.617 -0.571 1.00 0.15 C ATOM 913 C VAL A 59 13.336 -0.742 -0.274 1.00 0.18 C ATOM 914 O VAL A 59 14.124 -1.013 -1.159 1.00 0.27 O ATOM 915 CB VAL A 59 11.633 0.538 -1.547 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.196 0.519 -2.062 1.00 0.19 C ATOM 917 CG2 VAL A 59 11.899 1.860 -0.828 1.00 0.22 C ATOM 0 H VAL A 59 10.555 0.539 0.680 1.00 0.12 H new ATOM 0 HA VAL A 59 11.488 -1.556 -0.997 1.00 0.15 H new ATOM 0 HB VAL A 59 12.320 0.434 -2.387 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.048 1.344 -2.759 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.005 -0.425 -2.572 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.508 0.625 -1.224 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.752 2.688 -1.522 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.210 1.963 0.011 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.925 1.874 -0.459 1.00 0.22 H new ATOM 927 N ASP A 60 13.740 -0.523 0.951 1.00 0.16 N ATOM 928 CA ASP A 60 15.196 -0.601 1.297 1.00 0.18 C ATOM 929 C ASP A 60 15.487 -1.861 2.116 1.00 0.17 C ATOM 930 O ASP A 60 16.481 -2.528 1.908 1.00 0.18 O ATOM 931 CB ASP A 60 15.572 0.630 2.120 1.00 0.21 C ATOM 932 CG ASP A 60 15.208 1.896 1.342 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.805 2.122 0.303 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.339 2.621 1.801 1.00 1.11 O ATOM 0 H ASP A 60 13.124 -0.293 1.731 1.00 0.16 H new ATOM 0 HA ASP A 60 15.780 -0.639 0.377 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.049 0.615 3.076 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.639 0.621 2.341 1.00 0.21 H new ATOM 939 N ASP A 61 14.639 -2.188 3.055 1.00 0.17 N ATOM 940 CA ASP A 61 14.879 -3.401 3.899 1.00 0.17 C ATOM 941 C ASP A 61 14.114 -4.594 3.305 1.00 0.16 C ATOM 942 O ASP A 61 14.457 -5.735 3.542 1.00 0.18 O ATOM 943 CB ASP A 61 14.407 -3.104 5.332 1.00 0.19 C ATOM 944 CG ASP A 61 14.175 -4.405 6.108 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.137 -5.126 6.320 1.00 1.12 O ATOM 946 OD2 ASP A 61 13.040 -4.659 6.475 1.00 1.07 O ATOM 0 H ASP A 61 13.789 -1.669 3.276 1.00 0.17 H new ATOM 0 HA ASP A 61 15.940 -3.651 3.919 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.151 -2.496 5.846 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.485 -2.523 5.303 1.00 0.19 H new ATOM 951 N ALA A 62 13.097 -4.336 2.521 1.00 0.16 N ATOM 952 CA ALA A 62 12.312 -5.447 1.887 1.00 0.16 C ATOM 953 C ALA A 62 12.606 -5.453 0.386 1.00 0.16 C ATOM 954 O ALA A 62 11.719 -5.587 -0.433 1.00 0.15 O ATOM 955 CB ALA A 62 10.814 -5.218 2.110 1.00 0.17 C ATOM 0 H ALA A 62 12.772 -3.397 2.290 1.00 0.16 H new ATOM 0 HA ALA A 62 12.595 -6.401 2.332 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.249 -6.028 1.648 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.605 -5.194 3.179 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.520 -4.269 1.662 1.00 0.17 H new ATOM 961 N GLN A 63 13.850 -5.296 0.025 1.00 0.20 N ATOM 962 CA GLN A 63 14.220 -5.277 -1.419 1.00 0.22 C ATOM 963 C GLN A 63 13.687 -6.533 -2.113 1.00 0.20 C ATOM 964 O GLN A 63 13.661 -6.615 -3.325 1.00 0.20 O ATOM 965 CB GLN A 63 15.745 -5.225 -1.554 1.00 0.29 C ATOM 966 CG GLN A 63 16.378 -6.229 -0.590 1.00 0.90 C ATOM 967 CD GLN A 63 17.873 -6.347 -0.887 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.393 -7.436 -1.028 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.593 -5.262 -0.991 1.00 2.22 N ATOM 0 H GLN A 63 14.630 -5.179 0.672 1.00 0.20 H new ATOM 0 HA GLN A 63 13.781 -4.397 -1.889 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.038 -5.454 -2.579 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.106 -4.220 -1.337 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.225 -5.907 0.440 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.898 -7.202 -0.694 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.157 -4.347 -0.873 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.591 -5.329 -1.190 1.00 2.22 H new ATOM 978 N ASP A 64 13.259 -7.512 -1.364 1.00 0.19 N ATOM 979 CA ASP A 64 12.729 -8.748 -2.000 1.00 0.20 C ATOM 980 C ASP A 64 11.387 -8.432 -2.658 1.00 0.17 C ATOM 981 O ASP A 64 11.106 -8.861 -3.759 1.00 0.19 O ATOM 982 CB ASP A 64 12.531 -9.828 -0.936 1.00 0.22 C ATOM 983 CG ASP A 64 11.830 -9.224 0.282 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.457 -8.438 0.973 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.678 -9.558 0.503 1.00 1.11 O ATOM 0 H ASP A 64 13.254 -7.509 -0.344 1.00 0.19 H new ATOM 0 HA ASP A 64 13.434 -9.107 -2.750 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.937 -10.648 -1.341 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.494 -10.246 -0.644 1.00 0.22 H new ATOM 990 N VAL A 65 10.560 -7.675 -1.994 1.00 0.15 N ATOM 991 CA VAL A 65 9.243 -7.322 -2.582 1.00 0.16 C ATOM 992 C VAL A 65 9.461 -6.290 -3.690 1.00 0.16 C ATOM 993 O VAL A 65 8.929 -6.406 -4.776 1.00 0.19 O ATOM 994 CB VAL A 65 8.342 -6.736 -1.493 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.895 -6.711 -1.986 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.439 -7.606 -0.233 1.00 0.18 C ATOM 0 H VAL A 65 10.741 -7.286 -1.069 1.00 0.15 H new ATOM 0 HA VAL A 65 8.766 -8.210 -2.997 1.00 0.16 H new ATOM 0 HB VAL A 65 8.662 -5.720 -1.261 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.253 -6.294 -1.210 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.827 -6.096 -2.883 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.572 -7.726 -2.217 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.798 -7.192 0.545 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.117 -8.621 -0.466 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.471 -7.624 0.118 1.00 0.18 H new ATOM 1006 N ALA A 66 10.257 -5.286 -3.428 1.00 0.16 N ATOM 1007 CA ALA A 66 10.530 -4.256 -4.470 1.00 0.18 C ATOM 1008 C ALA A 66 11.243 -4.918 -5.649 1.00 0.19 C ATOM 1009 O ALA A 66 11.050 -4.551 -6.791 1.00 0.20 O ATOM 1010 CB ALA A 66 11.425 -3.164 -3.882 1.00 0.22 C ATOM 0 H ALA A 66 10.729 -5.136 -2.536 1.00 0.16 H new ATOM 0 HA ALA A 66 9.593 -3.813 -4.807 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.626 -2.410 -4.643 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.922 -2.699 -3.034 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.365 -3.604 -3.550 1.00 0.22 H new ATOM 1016 N SER A 67 12.064 -5.897 -5.379 1.00 0.21 N ATOM 1017 CA SER A 67 12.786 -6.588 -6.483 1.00 0.26 C ATOM 1018 C SER A 67 11.765 -7.282 -7.387 1.00 0.26 C ATOM 1019 O SER A 67 11.801 -7.156 -8.595 1.00 0.29 O ATOM 1020 CB SER A 67 13.743 -7.627 -5.896 1.00 0.31 C ATOM 1021 OG SER A 67 14.875 -6.969 -5.339 1.00 1.29 O ATOM 0 H SER A 67 12.265 -6.247 -4.442 1.00 0.21 H new ATOM 0 HA SER A 67 13.357 -5.863 -7.063 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.235 -8.212 -5.129 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.060 -8.324 -6.672 1.00 0.31 H new ATOM 0 HG SER A 67 14.702 -6.761 -4.397 1.00 1.29 H new ATOM 1027 N GLU A 68 10.849 -8.009 -6.807 1.00 0.26 N ATOM 1028 CA GLU A 68 9.819 -8.708 -7.626 1.00 0.30 C ATOM 1029 C GLU A 68 8.937 -7.674 -8.333 1.00 0.31 C ATOM 1030 O GLU A 68 8.517 -7.869 -9.456 1.00 0.36 O ATOM 1031 CB GLU A 68 8.952 -9.580 -6.714 1.00 0.31 C ATOM 1032 CG GLU A 68 8.108 -10.530 -7.566 1.00 0.39 C ATOM 1033 CD GLU A 68 9.003 -11.625 -8.151 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.386 -12.512 -7.405 1.00 2.20 O ATOM 1035 OE2 GLU A 68 9.289 -11.558 -9.335 1.00 2.19 O ATOM 0 H GLU A 68 10.770 -8.149 -5.800 1.00 0.26 H new ATOM 0 HA GLU A 68 10.310 -9.334 -8.371 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.583 -10.150 -6.032 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.305 -8.952 -6.101 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.320 -10.976 -6.960 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.619 -9.978 -8.369 1.00 0.39 H new ATOM 1042 N ALA A 69 8.651 -6.575 -7.683 1.00 0.29 N ATOM 1043 CA ALA A 69 7.791 -5.528 -8.316 1.00 0.31 C ATOM 1044 C ALA A 69 8.668 -4.545 -9.099 1.00 0.29 C ATOM 1045 O ALA A 69 8.178 -3.697 -9.818 1.00 0.33 O ATOM 1046 CB ALA A 69 7.031 -4.771 -7.225 1.00 0.31 C ATOM 0 H ALA A 69 8.976 -6.357 -6.741 1.00 0.29 H new ATOM 0 HA ALA A 69 7.083 -6.002 -8.996 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.403 -4.007 -7.683 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.406 -5.468 -6.667 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.742 -4.298 -6.547 1.00 0.31 H new ATOM 1052 N GLU A 70 9.960 -4.661 -8.973 1.00 0.27 N ATOM 1053 CA GLU A 70 10.873 -3.744 -9.715 1.00 0.29 C ATOM 1054 C GLU A 70 10.415 -2.288 -9.551 1.00 0.25 C ATOM 1055 O GLU A 70 10.074 -1.626 -10.511 1.00 0.26 O ATOM 1056 CB GLU A 70 10.867 -4.117 -11.198 1.00 0.38 C ATOM 1057 CG GLU A 70 11.621 -5.434 -11.396 1.00 1.18 C ATOM 1058 CD GLU A 70 11.492 -5.885 -12.852 1.00 1.61 C ATOM 1059 OE1 GLU A 70 12.098 -5.255 -13.703 1.00 2.06 O ATOM 1060 OE2 GLU A 70 10.790 -6.854 -13.091 1.00 2.34 O ATOM 0 H GLU A 70 10.426 -5.353 -8.386 1.00 0.27 H new ATOM 0 HA GLU A 70 11.881 -3.843 -9.312 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.842 -4.215 -11.555 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.334 -3.326 -11.785 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.672 -5.306 -11.136 1.00 1.18 H new ATOM 0 HG3 GLU A 70 11.219 -6.198 -10.731 1.00 1.18 H new ATOM 1067 N VAL A 71 10.423 -1.780 -8.347 1.00 0.22 N ATOM 1068 CA VAL A 71 10.007 -0.362 -8.126 1.00 0.19 C ATOM 1069 C VAL A 71 11.166 0.561 -8.511 1.00 0.23 C ATOM 1070 O VAL A 71 12.309 0.285 -8.206 1.00 0.28 O ATOM 1071 CB VAL A 71 9.654 -0.153 -6.654 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.028 1.230 -6.484 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.650 -1.221 -6.217 1.00 0.19 C ATOM 0 H VAL A 71 10.700 -2.286 -7.506 1.00 0.22 H new ATOM 0 HA VAL A 71 9.134 -0.135 -8.738 1.00 0.19 H new ATOM 0 HB VAL A 71 10.554 -0.229 -6.044 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.773 1.388 -5.436 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.738 1.993 -6.803 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.125 1.298 -7.091 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.396 -1.074 -5.167 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.747 -1.141 -6.823 1.00 0.19 H new ATOM 0 HG23 VAL A 71 9.090 -2.210 -6.349 1.00 0.19 H new ATOM 1083 N LYS A 72 10.882 1.651 -9.189 1.00 0.24 N ATOM 1084 CA LYS A 72 11.968 2.597 -9.610 1.00 0.29 C ATOM 1085 C LYS A 72 11.656 4.012 -9.111 1.00 0.26 C ATOM 1086 O LYS A 72 12.449 4.919 -9.268 1.00 0.27 O ATOM 1087 CB LYS A 72 12.063 2.612 -11.139 1.00 0.35 C ATOM 1088 CG LYS A 72 12.362 1.197 -11.648 1.00 0.43 C ATOM 1089 CD LYS A 72 12.861 1.268 -13.094 1.00 1.16 C ATOM 1090 CE LYS A 72 13.199 -0.140 -13.588 1.00 1.66 C ATOM 1091 NZ LYS A 72 11.944 -0.930 -13.733 1.00 2.40 N ATOM 0 H LYS A 72 9.941 1.927 -9.470 1.00 0.24 H new ATOM 0 HA LYS A 72 12.914 2.266 -9.182 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.129 2.974 -11.568 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.848 3.298 -11.458 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.113 0.723 -11.016 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.464 0.582 -11.592 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.098 1.715 -13.731 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.742 1.907 -13.155 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.720 -0.086 -14.544 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.872 -0.632 -12.885 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 12.133 -1.782 -14.299 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 11.599 -1.209 -12.792 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 11.223 -0.352 -14.209 1.00 2.40 H new ATOM 1105 N ALA A 73 10.514 4.215 -8.506 1.00 0.22 N ATOM 1106 CA ALA A 73 10.178 5.586 -7.997 1.00 0.20 C ATOM 1107 C ALA A 73 9.223 5.465 -6.805 1.00 0.18 C ATOM 1108 O ALA A 73 8.193 4.831 -6.892 1.00 0.16 O ATOM 1109 CB ALA A 73 9.524 6.411 -9.130 1.00 0.21 C ATOM 0 H ALA A 73 9.804 3.501 -8.342 1.00 0.22 H new ATOM 0 HA ALA A 73 11.086 6.093 -7.672 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.280 7.407 -8.760 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.218 6.494 -9.967 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.613 5.914 -9.463 1.00 0.21 H new ATOM 1115 N THR A 74 9.565 6.073 -5.688 1.00 0.18 N ATOM 1116 CA THR A 74 8.686 5.996 -4.475 1.00 0.17 C ATOM 1117 C THR A 74 8.059 7.384 -4.235 1.00 0.17 C ATOM 1118 O THR A 74 8.668 8.379 -4.569 1.00 0.19 O ATOM 1119 CB THR A 74 9.544 5.628 -3.242 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.748 6.370 -3.280 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.898 4.126 -3.209 1.00 0.19 C ATOM 0 H THR A 74 10.417 6.620 -5.566 1.00 0.18 H new ATOM 0 HA THR A 74 7.912 5.244 -4.627 1.00 0.17 H new ATOM 0 HB THR A 74 8.961 5.862 -2.351 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.297 6.143 -2.500 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.501 3.914 -2.326 1.00 0.19 H new ATOM 0 HG22 THR A 74 8.982 3.537 -3.173 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.462 3.865 -4.105 1.00 0.19 H new ATOM 1129 N PRO A 75 6.883 7.435 -3.632 1.00 0.17 N ATOM 1130 CA PRO A 75 6.098 6.252 -3.204 1.00 0.16 C ATOM 1131 C PRO A 75 5.403 5.617 -4.419 1.00 0.14 C ATOM 1132 O PRO A 75 4.946 6.308 -5.308 1.00 0.14 O ATOM 1133 CB PRO A 75 5.052 6.824 -2.219 1.00 0.17 C ATOM 1134 CG PRO A 75 5.098 8.374 -2.349 1.00 0.20 C ATOM 1135 CD PRO A 75 6.262 8.728 -3.300 1.00 0.19 C ATOM 0 HA PRO A 75 6.714 5.476 -2.749 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.056 6.448 -2.453 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.277 6.517 -1.198 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.154 8.754 -2.741 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.247 8.836 -1.373 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.901 9.235 -4.195 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.975 9.398 -2.820 1.00 0.19 H new ATOM 1143 N THR A 76 5.310 4.308 -4.450 1.00 0.13 N ATOM 1144 CA THR A 76 4.629 3.616 -5.595 1.00 0.12 C ATOM 1145 C THR A 76 3.363 2.948 -5.070 1.00 0.12 C ATOM 1146 O THR A 76 3.426 2.034 -4.277 1.00 0.18 O ATOM 1147 CB THR A 76 5.559 2.536 -6.184 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.892 3.020 -6.186 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.138 2.212 -7.623 1.00 0.13 C ATOM 0 H THR A 76 5.677 3.686 -3.730 1.00 0.13 H new ATOM 0 HA THR A 76 4.387 4.342 -6.372 1.00 0.12 H new ATOM 0 HB THR A 76 5.491 1.633 -5.578 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.938 3.849 -6.707 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.799 1.448 -8.032 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.112 1.844 -7.628 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.203 3.113 -8.233 1.00 0.13 H new ATOM 1157 N PHE A 77 2.209 3.383 -5.501 1.00 0.09 N ATOM 1158 CA PHE A 77 0.959 2.737 -5.008 1.00 0.09 C ATOM 1159 C PHE A 77 0.615 1.576 -5.921 1.00 0.09 C ATOM 1160 O PHE A 77 0.506 1.721 -7.122 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.195 3.735 -4.991 1.00 0.10 C ATOM 1162 CG PHE A 77 0.069 4.753 -3.921 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.174 4.422 -2.578 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.567 6.026 -4.259 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.076 5.366 -1.565 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.819 6.973 -3.247 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.574 6.645 -1.901 1.00 0.12 C ATOM 0 H PHE A 77 2.078 4.147 -6.164 1.00 0.09 H new ATOM 0 HA PHE A 77 1.119 2.382 -3.990 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.289 4.222 -5.962 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.137 3.221 -4.800 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.553 3.443 -2.323 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.755 6.276 -5.293 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.112 5.113 -0.532 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.200 7.950 -3.504 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.767 7.371 -1.125 1.00 0.12 H new ATOM 1177 N GLN A 78 0.451 0.420 -5.347 1.00 0.07 N ATOM 1178 CA GLN A 78 0.118 -0.794 -6.138 1.00 0.07 C ATOM 1179 C GLN A 78 -1.183 -1.366 -5.589 1.00 0.06 C ATOM 1180 O GLN A 78 -1.361 -1.489 -4.393 1.00 0.07 O ATOM 1181 CB GLN A 78 1.256 -1.802 -5.974 1.00 0.08 C ATOM 1182 CG GLN A 78 2.588 -1.110 -6.260 1.00 0.12 C ATOM 1183 CD GLN A 78 3.684 -2.160 -6.441 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.398 -3.329 -6.613 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.934 -1.792 -6.408 1.00 1.03 N ATOM 0 H GLN A 78 0.535 0.262 -4.343 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.003 -0.563 -7.196 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.254 -2.209 -4.963 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.115 -2.641 -6.655 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.506 -0.498 -7.158 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.845 -0.440 -5.440 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.173 -0.811 -6.264 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.673 -2.485 -6.527 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.108 -1.682 -6.454 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.429 -2.212 -5.999 1.00 0.07 C ATOM 1196 C PHE A 79 -3.522 -3.702 -6.301 1.00 0.07 C ATOM 1197 O PHE A 79 -3.266 -4.144 -7.405 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.541 -1.466 -6.741 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.531 -0.018 -6.313 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.482 0.818 -6.720 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.556 0.490 -5.500 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.451 2.167 -6.318 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.531 1.835 -5.089 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.479 2.675 -5.498 1.00 0.11 C ATOM 0 H PHE A 79 -2.006 -1.596 -7.465 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.534 -2.064 -4.924 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.391 -1.541 -7.818 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.509 -1.917 -6.521 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.694 0.425 -7.345 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.366 -0.153 -5.189 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.643 2.810 -6.636 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.319 2.223 -4.460 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.459 3.708 -5.184 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.893 -4.476 -5.317 1.00 0.07 N ATOM 1215 CA PHE A 80 -4.023 -5.949 -5.501 1.00 0.08 C ATOM 1216 C PHE A 80 -5.388 -6.389 -4.979 1.00 0.11 C ATOM 1217 O PHE A 80 -5.997 -5.725 -4.164 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.926 -6.666 -4.708 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.589 -6.468 -5.384 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.199 -7.311 -6.444 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.726 -5.445 -4.948 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.053 -7.130 -7.064 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.524 -5.264 -5.568 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.914 -6.105 -6.626 1.00 0.14 C ATOM 0 H PHE A 80 -4.115 -4.144 -4.379 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.925 -6.198 -6.558 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.889 -6.279 -3.690 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.153 -7.730 -4.637 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.860 -8.096 -6.781 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -1.024 -4.798 -4.136 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.353 -7.777 -7.875 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.185 -4.479 -5.231 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.873 -5.965 -7.102 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.869 -7.503 -5.444 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.193 -8.000 -4.982 1.00 0.14 C ATOM 1236 C LYS A 81 -7.209 -9.515 -5.172 1.00 0.14 C ATOM 1237 O LYS A 81 -6.914 -10.011 -6.239 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.304 -7.337 -5.814 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.640 -7.397 -5.064 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.678 -6.554 -5.809 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.992 -6.552 -5.024 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.646 -7.886 -5.150 1.00 1.48 N ATOM 0 H LYS A 81 -5.400 -8.096 -6.129 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.362 -7.756 -3.933 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -8.042 -6.299 -6.021 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.397 -7.841 -6.776 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.981 -8.430 -4.987 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.516 -7.026 -4.047 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.314 -5.534 -5.932 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.840 -6.957 -6.809 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.801 -6.326 -3.975 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.654 -5.773 -5.403 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.676 -7.778 -5.058 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.423 -8.296 -6.079 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.296 -8.516 -4.401 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.524 -10.254 -4.142 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.530 -11.740 -4.262 1.00 0.20 C ATOM 1258 C LYS A 82 -6.159 -12.229 -4.748 1.00 0.20 C ATOM 1259 O LYS A 82 -6.025 -13.337 -5.230 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.615 -12.187 -5.258 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.994 -12.200 -4.586 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.006 -12.905 -5.503 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.429 -12.473 -5.142 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.408 -13.377 -5.807 1.00 1.67 N ATOM 0 H LYS A 82 -7.777 -9.892 -3.223 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.743 -12.170 -3.283 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.629 -11.514 -6.115 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.380 -13.181 -5.637 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.938 -12.714 -3.626 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.321 -11.180 -4.383 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.796 -12.662 -6.545 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.909 -13.986 -5.402 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.566 -12.504 -4.061 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.598 -11.443 -5.456 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.375 -13.083 -5.561 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.282 -13.326 -6.838 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.252 -14.354 -5.487 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.136 -11.426 -4.620 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.777 -11.867 -5.067 1.00 0.21 C ATOM 1280 C GLY A 83 -3.532 -11.454 -6.520 1.00 0.19 C ATOM 1281 O GLY A 83 -2.506 -11.768 -7.091 1.00 0.22 O ATOM 0 H GLY A 83 -5.180 -10.486 -4.227 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.015 -11.426 -4.424 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.689 -12.949 -4.970 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.461 -10.755 -7.123 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.284 -10.319 -8.549 1.00 0.17 C ATOM 1287 C GLN A 84 -4.093 -8.799 -8.608 1.00 0.16 C ATOM 1288 O GLN A 84 -4.642 -8.062 -7.815 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.534 -10.695 -9.346 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.818 -12.188 -9.168 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.114 -12.553 -9.894 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.099 -13.317 -10.839 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.242 -12.036 -9.490 1.00 2.08 N ATOM 0 H GLN A 84 -5.338 -10.465 -6.691 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.408 -10.811 -8.971 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.387 -10.108 -9.005 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.389 -10.464 -10.401 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.990 -12.776 -9.563 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.903 -12.429 -8.108 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.254 -11.395 -8.697 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.112 -12.273 -9.967 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.316 -8.327 -9.552 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.083 -6.857 -9.677 1.00 0.17 C ATOM 1304 C LYS A 85 -4.203 -6.235 -10.510 1.00 0.16 C ATOM 1305 O LYS A 85 -4.709 -6.845 -11.432 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.739 -6.608 -10.366 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.537 -5.100 -10.568 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.054 -4.804 -10.820 1.00 0.30 C ATOM 1309 CE LYS A 85 0.406 -5.531 -12.086 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.693 -4.942 -12.557 1.00 1.70 N ATOM 0 H LYS A 85 -2.832 -8.900 -10.243 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.071 -6.406 -8.685 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.928 -7.016 -9.763 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.711 -7.121 -11.327 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.135 -4.753 -11.411 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.881 -4.557 -9.688 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.100 -3.730 -10.929 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.542 -5.127 -9.966 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.533 -6.594 -11.882 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.352 -5.444 -12.864 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.006 -5.435 -13.417 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.557 -3.933 -12.767 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.415 -5.047 -11.816 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.603 -5.026 -10.186 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.706 -4.354 -10.949 1.00 0.16 C ATOM 1326 C VAL A 86 -5.275 -2.943 -11.375 1.00 0.18 C ATOM 1327 O VAL A 86 -5.800 -2.393 -12.322 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.949 -4.262 -10.058 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.599 -5.642 -9.943 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.546 -3.775 -8.665 1.00 0.17 C ATOM 0 H VAL A 86 -4.211 -4.474 -9.423 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.931 -4.937 -11.842 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.657 -3.560 -10.499 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.483 -5.576 -9.309 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.888 -5.992 -10.934 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.889 -6.343 -9.504 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.431 -3.710 -8.032 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.836 -4.476 -8.226 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.083 -2.791 -8.743 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.331 -2.345 -10.694 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.896 -0.970 -11.090 1.00 0.18 C ATOM 1342 C GLY A 87 -2.692 -0.526 -10.253 1.00 0.10 C ATOM 1343 O GLY A 87 -2.269 -1.210 -9.342 1.00 0.08 O ATOM 0 H GLY A 87 -3.847 -2.743 -9.889 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.636 -0.955 -12.148 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.719 -0.269 -10.954 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.136 0.620 -10.559 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.959 1.116 -9.786 1.00 0.10 C ATOM 1349 C GLU A 88 -0.596 2.532 -10.233 1.00 0.10 C ATOM 1350 O GLU A 88 -0.845 2.924 -11.356 1.00 0.11 O ATOM 1351 CB GLU A 88 0.236 0.194 -10.025 1.00 0.17 C ATOM 1352 CG GLU A 88 0.419 -0.034 -11.527 1.00 0.25 C ATOM 1353 CD GLU A 88 1.680 -0.866 -11.765 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.201 -1.405 -10.802 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.103 -0.951 -12.906 1.00 2.04 O ATOM 0 H GLU A 88 -2.448 1.233 -11.312 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.212 1.126 -8.726 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.138 0.635 -9.602 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.079 -0.759 -9.519 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.451 -0.547 -11.937 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.498 0.922 -12.044 1.00 0.25 H new ATOM 1362 N PHE A 89 0.009 3.299 -9.364 1.00 0.09 N ATOM 1363 CA PHE A 89 0.406 4.683 -9.750 1.00 0.09 C ATOM 1364 C PHE A 89 1.334 5.290 -8.690 1.00 0.09 C ATOM 1365 O PHE A 89 1.069 5.234 -7.510 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.845 5.565 -9.955 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.429 6.031 -8.631 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.783 7.038 -7.881 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.632 5.469 -8.155 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.335 7.472 -6.662 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.184 5.908 -6.936 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.536 6.909 -6.190 1.00 0.11 C ATOM 0 H PHE A 89 0.244 3.028 -8.409 1.00 0.09 H new ATOM 0 HA PHE A 89 0.950 4.639 -10.693 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.583 6.432 -10.562 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.599 5.004 -10.508 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.136 7.475 -8.243 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.131 4.700 -8.727 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.837 8.238 -6.087 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.105 5.476 -6.574 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.960 7.246 -5.255 1.00 0.11 H new ATOM 1382 N SER A 90 2.428 5.875 -9.113 1.00 0.13 N ATOM 1383 CA SER A 90 3.390 6.498 -8.147 1.00 0.14 C ATOM 1384 C SER A 90 3.221 8.020 -8.174 1.00 0.14 C ATOM 1385 O SER A 90 2.285 8.538 -8.750 1.00 0.17 O ATOM 1386 CB SER A 90 4.816 6.141 -8.562 1.00 0.15 C ATOM 1387 OG SER A 90 5.230 7.007 -9.609 1.00 0.16 O ATOM 0 H SER A 90 2.699 5.949 -10.094 1.00 0.13 H new ATOM 0 HA SER A 90 3.195 6.127 -7.141 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.489 6.234 -7.710 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.862 5.103 -8.893 1.00 0.15 H new ATOM 0 HG SER A 90 5.924 7.614 -9.277 1.00 0.16 H new ATOM 1393 N GLY A 91 4.122 8.740 -7.558 1.00 0.12 N ATOM 1394 CA GLY A 91 4.017 10.232 -7.549 1.00 0.13 C ATOM 1395 C GLY A 91 3.196 10.688 -6.341 1.00 0.13 C ATOM 1396 O GLY A 91 2.113 10.193 -6.091 1.00 0.13 O ATOM 0 H GLY A 91 4.927 8.360 -7.060 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.012 10.675 -7.512 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.548 10.578 -8.470 1.00 0.13 H new ATOM 1400 N ALA A 92 3.703 11.625 -5.584 1.00 0.15 N ATOM 1401 CA ALA A 92 2.951 12.111 -4.386 1.00 0.17 C ATOM 1402 C ALA A 92 1.554 12.599 -4.794 1.00 0.15 C ATOM 1403 O ALA A 92 1.368 13.749 -5.137 1.00 0.16 O ATOM 1404 CB ALA A 92 3.718 13.272 -3.739 1.00 0.20 C ATOM 0 H ALA A 92 4.604 12.075 -5.742 1.00 0.15 H new ATOM 0 HA ALA A 92 2.849 11.288 -3.678 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.171 13.627 -2.866 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.707 12.930 -3.434 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.822 14.085 -4.458 1.00 0.20 H new ATOM 1410 N ASN A 93 0.569 11.743 -4.731 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.824 12.162 -5.082 1.00 0.13 C ATOM 1412 C ASN A 93 -1.788 11.481 -4.102 1.00 0.12 C ATOM 1413 O ASN A 93 -2.457 10.523 -4.432 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.146 11.744 -6.525 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.298 12.599 -7.062 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.439 12.769 -8.257 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.134 13.145 -6.223 1.00 1.15 N ATOM 0 H ASN A 93 0.667 10.767 -4.451 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.925 13.245 -5.010 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.265 11.866 -7.155 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.417 10.689 -6.557 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.906 13.714 -6.570 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.016 13.003 -5.220 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.837 11.960 -2.888 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.723 11.340 -1.861 1.00 0.20 C ATOM 1426 C LYS A 94 -4.197 11.462 -2.267 1.00 0.18 C ATOM 1427 O LYS A 94 -4.995 10.592 -1.984 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.506 12.040 -0.511 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.475 13.581 -0.694 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.021 14.094 -0.735 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.497 14.293 0.691 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.892 14.831 0.637 1.00 1.19 N ATOM 0 H LYS A 94 -1.297 12.761 -2.561 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.472 10.283 -1.778 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.304 11.766 0.179 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.570 11.702 -0.066 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.989 13.853 -1.616 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -3.013 14.061 0.124 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.390 13.382 -1.267 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.974 15.035 -1.284 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -1.144 14.981 1.236 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.511 13.346 1.231 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.262 14.935 1.603 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.498 14.176 0.103 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.887 15.759 0.167 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.573 12.528 -2.916 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.998 12.681 -3.316 1.00 0.20 C ATOM 1448 C GLU A 95 -6.361 11.586 -4.321 1.00 0.17 C ATOM 1449 O GLU A 95 -7.505 11.195 -4.447 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.198 14.052 -3.962 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.678 15.143 -3.025 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.467 15.112 -1.714 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.615 15.526 -1.727 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -5.909 14.675 -0.721 1.00 1.95 O ATOM 0 H GLU A 95 -3.958 13.296 -3.185 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.637 12.596 -2.437 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.671 14.096 -4.915 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.255 14.214 -4.174 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.617 14.991 -2.826 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.777 16.120 -3.498 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.389 11.088 -5.032 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.656 10.015 -6.031 1.00 0.14 C ATOM 1463 C LYS A 96 -6.046 8.730 -5.304 1.00 0.12 C ATOM 1464 O LYS A 96 -6.879 7.977 -5.763 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.395 9.779 -6.863 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.711 8.861 -8.049 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.526 8.833 -9.034 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.641 9.983 -10.044 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.824 9.759 -10.920 1.00 2.05 N ATOM 0 H LYS A 96 -4.414 11.380 -4.964 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.472 10.316 -6.688 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.004 10.731 -7.224 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.619 9.331 -6.243 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.920 7.853 -7.692 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.609 9.210 -8.559 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.587 8.915 -8.486 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.505 7.879 -9.561 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.739 10.933 -9.519 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -2.735 10.043 -10.647 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.668 10.222 -11.838 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.960 8.738 -11.065 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.671 10.161 -10.469 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.454 8.472 -4.169 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.804 7.234 -3.418 1.00 0.11 C ATOM 1485 C LEU A 97 -7.321 7.167 -3.251 1.00 0.11 C ATOM 1486 O LEU A 97 -7.916 6.108 -3.289 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.142 7.267 -2.030 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.672 6.842 -2.127 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.971 7.184 -0.807 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.562 5.325 -2.403 1.00 0.13 C ATOM 0 H LEU A 97 -4.746 9.062 -3.732 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.450 6.361 -3.966 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.210 8.271 -1.612 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.675 6.602 -1.350 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.196 7.374 -2.951 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.924 6.886 -0.863 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.034 8.258 -0.629 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.456 6.652 0.011 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.511 5.042 -2.469 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -4.037 4.772 -1.592 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -4.060 5.089 -3.343 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.947 8.290 -3.056 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.427 8.295 -2.873 1.00 0.14 C ATOM 1504 C GLU A 98 -10.114 7.870 -4.175 1.00 0.13 C ATOM 1505 O GLU A 98 -10.869 6.918 -4.211 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.887 9.704 -2.494 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.348 9.659 -2.039 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.787 11.054 -1.591 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.253 11.805 -2.432 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -11.650 11.347 -0.414 1.00 2.05 O ATOM 0 H GLU A 98 -7.501 9.206 -3.015 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.693 7.595 -2.081 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.259 10.101 -1.697 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.781 10.374 -3.347 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.983 9.311 -2.854 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.463 8.950 -1.220 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.868 8.582 -5.240 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.513 8.245 -6.543 1.00 0.14 C ATOM 1519 C ALA A 99 -10.139 6.825 -6.986 1.00 0.12 C ATOM 1520 O ALA A 99 -10.954 6.107 -7.528 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.051 9.243 -7.607 1.00 0.15 C ATOM 0 H ALA A 99 -9.244 9.388 -5.265 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.595 8.298 -6.420 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.520 9.001 -8.561 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.336 10.252 -7.308 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.967 9.188 -7.711 1.00 0.15 H new ATOM 1527 N THR A 100 -8.915 6.418 -6.781 1.00 0.11 N ATOM 1528 CA THR A 100 -8.501 5.051 -7.219 1.00 0.11 C ATOM 1529 C THR A 100 -9.226 3.987 -6.392 1.00 0.10 C ATOM 1530 O THR A 100 -9.773 3.041 -6.924 1.00 0.11 O ATOM 1531 CB THR A 100 -6.990 4.895 -7.040 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.334 6.021 -7.601 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.514 3.623 -7.747 1.00 0.12 C ATOM 0 H THR A 100 -8.185 6.970 -6.331 1.00 0.11 H new ATOM 0 HA THR A 100 -8.763 4.921 -8.269 1.00 0.11 H new ATOM 0 HB THR A 100 -6.756 4.824 -5.978 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.354 6.763 -6.962 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.437 3.516 -7.617 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.019 2.758 -7.318 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.746 3.689 -8.810 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.240 4.133 -5.099 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.934 3.127 -4.242 1.00 0.11 C ATOM 1543 C ILE A 101 -11.422 3.103 -4.607 1.00 0.13 C ATOM 1544 O ILE A 101 -11.988 2.060 -4.861 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.759 3.514 -2.764 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.291 3.289 -2.352 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.678 2.649 -1.889 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.964 4.046 -1.056 1.00 0.18 C ATOM 0 H ILE A 101 -8.802 4.904 -4.595 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.507 2.137 -4.404 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.021 4.563 -2.629 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.107 2.224 -2.212 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.629 3.624 -3.151 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.551 2.926 -0.843 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.715 2.808 -2.183 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.421 1.598 -2.019 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.923 3.872 -0.786 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.126 5.113 -1.207 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.611 3.691 -0.254 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.057 4.243 -4.636 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.507 4.281 -4.982 1.00 0.17 C ATOM 1562 C ASN A 102 -13.717 3.693 -6.378 1.00 0.18 C ATOM 1563 O ASN A 102 -14.815 3.331 -6.751 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.993 5.733 -4.964 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.522 5.762 -4.977 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.138 5.457 -5.979 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.165 6.120 -3.899 1.00 1.03 N ATOM 0 H ASN A 102 -11.635 5.150 -4.435 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.070 3.696 -4.255 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.617 6.242 -4.077 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.602 6.269 -5.829 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.185 6.144 -3.898 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.648 6.376 -3.058 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.674 3.602 -7.155 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.811 3.044 -8.530 1.00 0.18 C ATOM 1576 C GLU A 103 -12.932 1.518 -8.467 1.00 0.19 C ATOM 1577 O GLU A 103 -13.917 0.943 -8.884 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.571 3.419 -9.353 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.889 3.303 -10.847 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.649 3.670 -11.664 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.652 4.033 -11.061 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.716 3.580 -12.879 1.00 2.02 O ATOM 0 H GLU A 103 -11.730 3.891 -6.897 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.706 3.455 -8.996 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.259 4.436 -9.116 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.740 2.762 -9.096 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.206 2.287 -11.084 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.716 3.964 -11.106 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.918 0.863 -7.970 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.934 -0.628 -7.895 1.00 0.19 C ATOM 1591 C LEU A 104 -12.485 -1.092 -6.542 1.00 0.19 C ATOM 1592 O LEU A 104 -12.233 -2.199 -6.110 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.497 -1.135 -8.076 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.954 -0.693 -9.449 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.423 -0.731 -9.431 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.463 -1.633 -10.551 1.00 0.35 C ATOM 0 H LEU A 104 -11.070 1.301 -7.609 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.578 -1.029 -8.678 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.862 -0.745 -7.281 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.473 -2.222 -7.998 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.300 0.320 -9.652 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.040 -0.418 -10.402 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.051 -0.056 -8.660 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.087 -1.746 -9.218 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.072 -1.309 -11.515 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.127 -2.649 -10.346 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.552 -1.609 -10.575 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.244 -0.266 -5.870 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.810 -0.688 -4.554 1.00 0.22 C ATOM 1610 C VAL A 105 -14.765 -1.864 -4.770 1.00 0.26 C ATOM 1611 O VAL A 105 -14.761 -2.764 -3.946 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.575 0.473 -3.916 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.740 0.877 -4.820 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.117 0.035 -2.553 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.484 -1.845 -5.755 1.00 1.18 O ATOM 0 H VAL A 105 -13.495 0.675 -6.172 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.996 -0.986 -3.893 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.905 1.323 -3.788 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.284 1.704 -4.364 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.356 1.187 -5.792 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.412 0.028 -4.949 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.663 0.861 -2.096 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.787 -0.815 -2.684 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.288 -0.253 -1.907 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.952 -0.089 5.552 1.00 0.00 N ATOM 1627 CA PHE B 1 22.194 1.173 5.323 1.00 0.00 C ATOM 1628 C PHE B 1 20.845 0.841 4.682 1.00 0.00 C ATOM 1629 O PHE B 1 20.518 -0.311 4.472 1.00 0.00 O ATOM 1630 CB PHE B 1 22.993 2.086 4.392 1.00 0.00 C ATOM 1631 CG PHE B 1 23.300 1.353 3.108 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.330 1.284 2.089 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.555 0.741 2.927 1.00 0.00 C ATOM 1634 CE1 PHE B 1 22.614 0.603 0.890 1.00 0.00 C ATOM 1635 CE2 PHE B 1 24.840 0.059 1.728 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.870 -0.009 0.709 1.00 0.00 C ATOM 0 H1 PHE B 1 23.505 -0.008 6.429 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.286 -0.884 5.635 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.595 -0.258 4.752 1.00 0.00 H new ATOM 0 HA PHE B 1 22.031 1.681 6.274 1.00 0.00 H new ATOM 0 HB2 PHE B 1 22.426 2.992 4.179 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.919 2.396 4.876 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.368 1.754 2.228 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.299 0.794 3.708 1.00 0.00 H new ATOM 0 HE1 PHE B 1 21.869 0.550 0.109 1.00 0.00 H new ATOM 0 HE2 PHE B 1 25.802 -0.412 1.590 1.00 0.00 H new ATOM 0 HZ PHE B 1 24.089 -0.530 -0.211 1.00 0.00 H new ATOM 1648 N ARG B 2 20.054 1.842 4.375 1.00 0.00 N ATOM 1649 CA ARG B 2 18.714 1.595 3.750 1.00 0.00 C ATOM 1650 C ARG B 2 18.509 2.575 2.587 1.00 0.00 C ATOM 1651 O ARG B 2 17.836 3.577 2.722 1.00 0.00 O ATOM 1652 CB ARG B 2 17.613 1.821 4.799 1.00 0.00 C ATOM 1653 CG ARG B 2 17.647 0.706 5.871 1.00 0.00 C ATOM 1654 CD ARG B 2 17.153 1.249 7.231 1.00 0.00 C ATOM 1655 NE ARG B 2 16.547 0.138 8.040 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.509 -0.532 7.620 1.00 0.00 C ATOM 1657 NH1 ARG B 2 14.888 -0.176 6.529 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.066 -1.543 8.318 1.00 0.00 N ATOM 0 H ARG B 2 20.280 2.824 4.531 1.00 0.00 H new ATOM 0 HA ARG B 2 18.666 0.570 3.382 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.748 2.793 5.273 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.637 1.836 4.313 1.00 0.00 H new ATOM 0 HG2 ARG B 2 17.020 -0.129 5.556 1.00 0.00 H new ATOM 0 HG3 ARG B 2 18.662 0.322 5.973 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.984 1.695 7.777 1.00 0.00 H new ATOM 0 HD3 ARG B 2 16.417 2.037 7.071 1.00 0.00 H new ATOM 0 HE ARG B 2 16.958 -0.099 8.943 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.213 0.632 5.997 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.077 -0.705 6.208 1.00 0.00 H new ATOM 0 HH21 ARG B 2 15.531 -1.806 9.187 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.255 -2.070 7.994 1.00 0.00 H new ATOM 1672 N PHE B 3 19.089 2.295 1.444 1.00 0.00 N ATOM 1673 CA PHE B 3 18.939 3.210 0.264 1.00 0.00 C ATOM 1674 C PHE B 3 18.677 2.385 -1.001 1.00 0.00 C ATOM 1675 O PHE B 3 19.075 1.242 -1.104 1.00 0.00 O ATOM 1676 CB PHE B 3 20.236 4.015 0.082 1.00 0.00 C ATOM 1677 CG PHE B 3 20.266 5.174 1.054 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.569 4.951 2.411 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.993 6.480 0.600 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.600 6.033 3.313 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.024 7.561 1.502 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.327 7.337 2.858 1.00 0.00 C ATOM 0 H PHE B 3 19.663 1.469 1.276 1.00 0.00 H new ATOM 0 HA PHE B 3 18.102 3.887 0.435 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.100 3.370 0.245 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.303 4.386 -0.941 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.778 3.951 2.760 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.760 6.652 -0.440 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.833 5.862 4.354 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.815 8.562 1.153 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.350 8.166 3.550 1.00 0.00 H new ATOM 1692 N ARG B 4 18.018 2.967 -1.972 1.00 0.00 N ATOM 1693 CA ARG B 4 17.738 2.232 -3.241 1.00 0.00 C ATOM 1694 C ARG B 4 17.661 3.238 -4.403 1.00 0.00 C ATOM 1695 O ARG B 4 18.609 3.396 -5.146 1.00 0.00 O ATOM 1696 CB ARG B 4 16.418 1.448 -3.111 1.00 0.00 C ATOM 1697 CG ARG B 4 16.429 0.222 -4.054 1.00 0.00 C ATOM 1698 CD ARG B 4 17.050 -0.996 -3.360 1.00 0.00 C ATOM 1699 NE ARG B 4 16.843 -2.193 -4.224 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.497 -3.297 -3.988 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.329 -3.364 -2.986 1.00 0.00 N ATOM 1702 NH2 ARG B 4 17.315 -4.338 -4.754 1.00 0.00 N ATOM 0 H ARG B 4 17.662 3.922 -1.939 1.00 0.00 H new ATOM 0 HA ARG B 4 18.540 1.521 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.281 1.122 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.576 2.096 -3.355 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.411 -0.012 -4.365 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.992 0.458 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.114 -0.832 -3.189 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.590 -1.150 -2.384 1.00 0.00 H new ATOM 0 HE ARG B 4 16.187 -2.149 -5.004 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.470 -2.552 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG B 4 18.839 -4.228 -2.804 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.662 -4.288 -5.536 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.826 -5.202 -4.571 1.00 0.00 H new ATOM 1716 N TYR B 5 16.547 3.926 -4.564 1.00 0.00 N ATOM 1717 CA TYR B 5 16.424 4.930 -5.680 1.00 0.00 C ATOM 1718 C TYR B 5 15.880 6.267 -5.144 1.00 0.00 C ATOM 1719 O TYR B 5 15.903 6.527 -3.958 1.00 0.00 O ATOM 1720 CB TYR B 5 15.517 4.384 -6.795 1.00 0.00 C ATOM 1721 CG TYR B 5 14.322 3.665 -6.228 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.417 2.315 -5.831 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.097 4.341 -6.126 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.279 1.651 -5.327 1.00 0.00 C ATOM 1725 CE2 TYR B 5 11.970 3.678 -5.629 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.057 2.334 -5.228 1.00 0.00 C ATOM 1727 OH TYR B 5 10.944 1.686 -4.736 1.00 0.00 O ATOM 0 H TYR B 5 15.721 3.836 -3.973 1.00 0.00 H new ATOM 0 HA TYR B 5 17.415 5.106 -6.098 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.182 5.205 -7.429 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.086 3.704 -7.429 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.358 1.791 -5.913 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.024 5.374 -6.431 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.348 0.619 -5.018 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.028 4.202 -5.553 1.00 0.00 H new ATOM 0 HH TYR B 5 11.201 0.801 -4.402 1.00 0.00 H new ATOM 1737 N VAL B 6 15.440 7.136 -6.023 1.00 0.00 N ATOM 1738 CA VAL B 6 14.953 8.486 -5.589 1.00 0.00 C ATOM 1739 C VAL B 6 13.518 8.444 -5.053 1.00 0.00 C ATOM 1740 O VAL B 6 12.706 7.630 -5.451 1.00 0.00 O ATOM 1741 CB VAL B 6 14.986 9.437 -6.794 1.00 0.00 C ATOM 1742 CG1 VAL B 6 15.002 10.888 -6.312 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.233 9.161 -7.624 1.00 0.00 C ATOM 0 H VAL B 6 15.397 6.968 -7.028 1.00 0.00 H new ATOM 0 HA VAL B 6 15.607 8.828 -4.786 1.00 0.00 H new ATOM 0 HB VAL B 6 14.098 9.274 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.025 11.557 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.106 11.086 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.886 11.057 -5.697 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.257 9.836 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.120 9.320 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.215 8.129 -7.976 1.00 0.00 H new ATOM 1753 N CYS B 7 13.200 9.365 -4.173 1.00 0.00 N ATOM 1754 CA CYS B 7 11.818 9.455 -3.617 1.00 0.00 C ATOM 1755 C CYS B 7 11.081 10.597 -4.315 1.00 0.00 C ATOM 1756 O CYS B 7 11.203 11.746 -3.938 1.00 0.00 O ATOM 1757 CB CYS B 7 11.876 9.731 -2.111 1.00 0.00 C ATOM 1758 SG CYS B 7 13.140 8.687 -1.347 1.00 0.00 S ATOM 0 H CYS B 7 13.850 10.065 -3.814 1.00 0.00 H new ATOM 0 HA CYS B 7 11.295 8.513 -3.784 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.103 10.782 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.905 9.533 -1.658 1.00 0.00 H new ATOM 1763 N GLU B 8 10.323 10.300 -5.337 1.00 0.00 N ATOM 1764 CA GLU B 8 9.595 11.387 -6.053 1.00 0.00 C ATOM 1765 C GLU B 8 8.293 11.715 -5.323 1.00 0.00 C ATOM 1766 O GLU B 8 7.243 11.877 -5.922 1.00 0.00 O ATOM 1767 CB GLU B 8 9.288 10.950 -7.490 1.00 0.00 C ATOM 1768 CG GLU B 8 8.853 9.481 -7.504 1.00 0.00 C ATOM 1769 CD GLU B 8 8.123 9.175 -8.815 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.755 9.250 -9.855 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.942 8.875 -8.754 1.00 0.00 O ATOM 0 H GLU B 8 10.177 9.360 -5.704 1.00 0.00 H new ATOM 0 HA GLU B 8 10.223 12.277 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.501 11.576 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.170 11.084 -8.117 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.723 8.832 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.200 9.276 -6.656 1.00 0.00 H new ATOM 1778 N GLY B 9 8.359 11.853 -4.031 1.00 0.00 N ATOM 1779 CA GLY B 9 7.138 12.217 -3.270 1.00 0.00 C ATOM 1780 C GLY B 9 6.835 13.694 -3.595 1.00 0.00 C ATOM 1781 O GLY B 9 6.857 14.053 -4.756 1.00 0.00 O ATOM 0 H GLY B 9 9.203 11.730 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.301 11.579 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.294 12.081 -2.200 1.00 0.00 H new ATOM 1785 N PRO B 10 6.587 14.537 -2.605 1.00 0.00 N ATOM 1786 CA PRO B 10 6.332 15.961 -2.889 1.00 0.00 C ATOM 1787 C PRO B 10 7.623 16.613 -3.418 1.00 0.00 C ATOM 1788 O PRO B 10 7.827 17.805 -3.295 1.00 0.00 O ATOM 1789 CB PRO B 10 5.903 16.571 -1.532 1.00 0.00 C ATOM 1790 CG PRO B 10 6.049 15.456 -0.455 1.00 0.00 C ATOM 1791 CD PRO B 10 6.522 14.171 -1.173 1.00 0.00 C ATOM 0 HA PRO B 10 5.565 16.116 -3.647 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.526 17.430 -1.283 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.874 16.927 -1.579 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.767 15.754 0.309 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.098 15.285 0.050 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.495 13.847 -0.803 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.828 13.347 -1.007 1.00 0.00 H new ATOM 1799 N SER B 11 8.493 15.831 -4.003 1.00 0.00 N ATOM 1800 CA SER B 11 9.768 16.383 -4.538 1.00 0.00 C ATOM 1801 C SER B 11 9.529 16.945 -5.942 1.00 0.00 C ATOM 1802 O SER B 11 10.055 17.978 -6.305 1.00 0.00 O ATOM 1803 CB SER B 11 10.810 15.260 -4.607 1.00 0.00 C ATOM 1804 OG SER B 11 12.078 15.817 -4.926 1.00 0.00 O ATOM 0 H SER B 11 8.372 14.827 -4.133 1.00 0.00 H new ATOM 0 HA SER B 11 10.128 17.179 -3.886 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.860 14.735 -3.653 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.522 14.526 -5.360 1.00 0.00 H new ATOM 0 HG SER B 11 12.747 15.103 -4.970 1.00 0.00 H new ATOM 1810 N HIS B 12 8.739 16.271 -6.733 1.00 0.00 N ATOM 1811 CA HIS B 12 8.468 16.766 -8.113 1.00 0.00 C ATOM 1812 C HIS B 12 7.348 15.933 -8.740 1.00 0.00 C ATOM 1813 O HIS B 12 6.178 16.171 -8.510 1.00 0.00 O ATOM 1814 CB HIS B 12 9.741 16.639 -8.956 1.00 0.00 C ATOM 1815 CG HIS B 12 9.441 16.984 -10.390 1.00 0.00 C ATOM 1816 ND1 HIS B 12 9.909 16.220 -11.446 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.721 18.006 -10.956 1.00 0.00 C ATOM 1818 CE1 HIS B 12 9.470 16.789 -12.584 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.741 17.881 -12.342 1.00 0.00 N ATOM 0 H HIS B 12 8.270 15.400 -6.484 1.00 0.00 H new ATOM 0 HA HIS B 12 8.162 17.812 -8.076 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.513 17.303 -8.567 1.00 0.00 H new ATOM 0 HB3 HIS B 12 10.131 15.623 -8.891 1.00 0.00 H new ATOM 0 HD2 HIS B 12 8.216 18.788 -10.409 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.682 16.409 -13.572 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.295 18.492 -13.026 1.00 0.00 H new ATOM 1827 N GLY B 13 7.694 14.955 -9.533 1.00 0.00 N ATOM 1828 CA GLY B 13 6.650 14.108 -10.175 1.00 0.00 C ATOM 1829 C GLY B 13 5.939 14.911 -11.265 1.00 0.00 C ATOM 1830 O GLY B 13 4.824 15.343 -11.025 1.00 0.00 O ATOM 1831 OXT GLY B 13 6.522 15.081 -12.324 1.00 0.00 O ATOM 0 H GLY B 13 8.656 14.706 -9.764 1.00 0.00 H new ATOM 0 HA2 GLY B 13 7.105 13.215 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.930 13.772 -9.429 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.406 -9.873 -1.394 1.00 0.24 O HETATM 1839 O HOH A 107 8.319 -2.961 5.040 1.00 0.40 O HETATM 1842 O HOH A 108 12.323 1.278 2.231 1.00 0.32 O HETATM 1845 O HOH A 109 -8.960 -8.588 0.213 1.00 0.26 O HETATM 1848 O HOH A 110 -7.543 -13.092 0.176 1.00 0.21 O HETATM 1851 O HOH A 111 -12.450 -2.998 0.378 1.00 0.37 O