USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 SER OG : rot 168:sc= 0.92 USER MOD Set 1.2: A 103 GLN : amide:sc= -4.77! C(o=-3.8!,f=-8.3!) USER MOD Set 2.1: A 1 LEU N :NH3+ 177:sc= -0.313 (180deg=-0.329) USER MOD Set 2.2: A 85 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 THR OG1 : rot 70:sc= -1.25 USER MOD Set 4.1: A 27 CYS SG : rot -96:sc= 0.191 USER MOD Set 4.2: A 66 CYS SG : rot 93:sc= 1.25 USER MOD Set 5.1: A 23 ASN : amide:sc= -6.08! C(o=-9.1!,f=-11!) USER MOD Set 5.2: A 28 THR OG1 : rot -160:sc= -3.01 USER MOD Set 6.1: A 5 ASN : amide:sc= -3 X(o=-3.1,f=-2.6!) USER MOD Set 6.2: A 78 SER OG : rot 180:sc= -0.0579 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -164:sc= -1.41 (180deg=-1.46) USER MOD Single : A 10 LYS NZ :NH3+ 138:sc= -3.58 (180deg=-7.12!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -1.1 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 36 GLN : amide:sc= -8.03! C(o=-8!,f=-8.8!) USER MOD Single : A 37 TYR OH : rot -83:sc= 0.916 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.15) USER MOD Single : A 45 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot -64:sc= 1.21 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -2.42! K(o=-2.4!,f=-1.7) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 175:sc= -1.36 (180deg=-1.57) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot -118:sc= 1.66 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.501 -10.166 -13.953 1.00 0.00 N ATOM 2 CA LEU A 1 -1.103 -9.207 -12.888 1.00 0.00 C ATOM 3 C LEU A 1 -0.737 -7.847 -13.478 1.00 0.00 C ATOM 4 O LEU A 1 0.379 -7.649 -13.957 1.00 0.00 O ATOM 5 CB LEU A 1 0.090 -9.791 -12.130 1.00 0.00 C ATOM 6 CG LEU A 1 -0.270 -10.666 -10.926 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.150 -12.140 -11.281 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.613 -10.326 -9.735 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.695 -11.095 -13.528 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.357 -9.818 -14.431 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.730 -10.256 -14.645 1.00 0.00 H new ATOM 0 HA LEU A 1 -1.943 -9.055 -12.210 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.687 -10.383 -12.824 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.720 -8.970 -11.787 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.306 -10.464 -10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.410 -12.746 -10.413 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.828 -12.373 -12.102 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.874 -12.359 -11.583 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.342 -10.958 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.657 -10.497 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.473 -9.279 -9.465 1.00 0.00 H new ATOM 22 N GLU A 2 -1.684 -6.915 -13.437 1.00 0.00 N ATOM 23 CA GLU A 2 -1.455 -5.575 -13.965 1.00 0.00 C ATOM 24 C GLU A 2 -0.608 -4.752 -13.003 1.00 0.00 C ATOM 25 O GLU A 2 -0.553 -5.039 -11.809 1.00 0.00 O ATOM 26 CB GLU A 2 -2.787 -4.859 -14.209 1.00 0.00 C ATOM 27 CG GLU A 2 -2.798 -4.007 -15.468 1.00 0.00 C ATOM 28 CD GLU A 2 -3.838 -4.462 -16.475 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.991 -3.992 -16.389 1.00 0.00 O ATOM 30 OE2 GLU A 2 -3.497 -5.288 -17.347 1.00 0.00 O ATOM 0 H GLU A 2 -2.614 -7.062 -13.045 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.922 -5.676 -14.910 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.582 -5.602 -14.276 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.013 -4.227 -13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.990 -2.969 -15.197 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.812 -4.038 -15.931 1.00 0.00 H new ATOM 37 N LYS A 3 0.042 -3.721 -13.530 1.00 0.00 N ATOM 38 CA LYS A 3 0.873 -2.851 -12.711 1.00 0.00 C ATOM 39 C LYS A 3 0.937 -1.448 -13.302 1.00 0.00 C ATOM 40 O LYS A 3 1.232 -1.272 -14.484 1.00 0.00 O ATOM 41 CB LYS A 3 2.290 -3.412 -12.573 1.00 0.00 C ATOM 42 CG LYS A 3 2.339 -4.900 -12.274 1.00 0.00 C ATOM 43 CD LYS A 3 3.774 -5.397 -12.197 1.00 0.00 C ATOM 44 CE LYS A 3 3.905 -6.581 -11.253 1.00 0.00 C ATOM 45 NZ LYS A 3 3.926 -7.877 -11.987 1.00 0.00 N ATOM 0 H LYS A 3 0.009 -3.469 -14.518 1.00 0.00 H new ATOM 0 HA LYS A 3 0.417 -2.801 -11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.838 -3.219 -13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.806 -2.875 -11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.830 -5.101 -11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.803 -5.447 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.114 -5.685 -13.192 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.422 -4.588 -11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.820 -6.480 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.074 -6.577 -10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.016 -8.659 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.042 -7.986 -12.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.734 -7.892 -12.642 1.00 0.00 H new ATOM 59 N PHE A 4 0.676 -0.454 -12.465 1.00 0.00 N ATOM 60 CA PHE A 4 0.720 0.938 -12.890 1.00 0.00 C ATOM 61 C PHE A 4 1.385 1.786 -11.813 1.00 0.00 C ATOM 62 O PHE A 4 1.662 1.295 -10.720 1.00 0.00 O ATOM 63 CB PHE A 4 -0.689 1.456 -13.202 1.00 0.00 C ATOM 64 CG PHE A 4 -1.545 1.679 -11.987 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.173 0.615 -11.360 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.718 2.952 -11.473 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.960 0.821 -10.244 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.504 3.161 -10.360 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.126 2.095 -9.742 1.00 0.00 C ATOM 0 H PHE A 4 0.431 -0.586 -11.484 1.00 0.00 H new ATOM 0 HA PHE A 4 1.309 1.009 -13.804 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.606 2.394 -13.752 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.189 0.744 -13.859 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.046 -0.385 -11.748 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.232 3.791 -11.949 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.446 -0.016 -9.764 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.633 4.160 -9.971 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.740 2.258 -8.869 1.00 0.00 H new ATOM 79 N ASN A 5 1.651 3.049 -12.121 1.00 0.00 N ATOM 80 CA ASN A 5 2.300 3.936 -11.162 1.00 0.00 C ATOM 81 C ASN A 5 1.332 4.984 -10.623 1.00 0.00 C ATOM 82 O ASN A 5 0.570 5.588 -11.376 1.00 0.00 O ATOM 83 CB ASN A 5 3.505 4.623 -11.812 1.00 0.00 C ATOM 84 CG ASN A 5 4.807 4.310 -11.098 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.836 4.080 -11.732 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.766 4.304 -9.769 1.00 0.00 N ATOM 0 H ASN A 5 1.430 3.480 -13.019 1.00 0.00 H new ATOM 0 HA ASN A 5 2.638 3.328 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.581 4.309 -12.853 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.346 5.701 -11.815 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.611 4.103 -9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.890 4.500 -9.285 1.00 0.00 H new ATOM 93 N VAL A 6 1.381 5.195 -9.312 1.00 0.00 N ATOM 94 CA VAL A 6 0.523 6.173 -8.658 1.00 0.00 C ATOM 95 C VAL A 6 1.361 7.268 -8.017 1.00 0.00 C ATOM 96 O VAL A 6 2.006 7.046 -6.995 1.00 0.00 O ATOM 97 CB VAL A 6 -0.346 5.521 -7.567 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.424 6.479 -7.089 1.00 0.00 C ATOM 99 CG2 VAL A 6 -0.947 4.220 -8.066 1.00 0.00 C ATOM 0 H VAL A 6 2.009 4.699 -8.680 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.126 6.595 -9.425 1.00 0.00 H new ATOM 0 HB VAL A 6 0.292 5.289 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.025 5.996 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.958 7.375 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.063 6.755 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.557 3.776 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.568 4.418 -8.939 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.148 3.531 -8.338 1.00 0.00 H new ATOM 109 N ASP A 7 1.349 8.450 -8.612 1.00 0.00 N ATOM 110 CA ASP A 7 2.119 9.562 -8.076 1.00 0.00 C ATOM 111 C ASP A 7 1.200 10.665 -7.568 1.00 0.00 C ATOM 112 O ASP A 7 0.333 11.144 -8.298 1.00 0.00 O ATOM 113 CB ASP A 7 3.052 10.122 -9.151 1.00 0.00 C ATOM 114 CG ASP A 7 2.310 10.511 -10.415 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.647 11.569 -10.411 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.393 9.758 -11.407 1.00 0.00 O ATOM 0 H ASP A 7 0.820 8.664 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 7 2.712 9.192 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.574 10.994 -8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.811 9.378 -9.393 1.00 0.00 H new ATOM 121 N LEU A 8 1.403 11.078 -6.321 1.00 0.00 N ATOM 122 CA LEU A 8 0.591 12.143 -5.747 1.00 0.00 C ATOM 123 C LEU A 8 1.365 12.891 -4.674 1.00 0.00 C ATOM 124 O LEU A 8 2.310 12.364 -4.095 1.00 0.00 O ATOM 125 CB LEU A 8 -0.745 11.613 -5.192 1.00 0.00 C ATOM 126 CG LEU A 8 -0.681 10.436 -4.203 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.179 9.302 -4.738 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.186 10.898 -2.839 1.00 0.00 C ATOM 0 H LEU A 8 2.113 10.697 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 8 0.353 12.840 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.257 12.440 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.365 11.311 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.694 10.051 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.201 8.489 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.240 8.940 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.193 9.664 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.150 10.048 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.812 11.325 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.865 11.652 -2.442 1.00 0.00 H new ATOM 140 N MET A 9 0.971 14.127 -4.421 1.00 0.00 N ATOM 141 CA MET A 9 1.645 14.941 -3.423 1.00 0.00 C ATOM 142 C MET A 9 1.419 14.380 -2.029 1.00 0.00 C ATOM 143 O MET A 9 0.283 14.269 -1.567 1.00 0.00 O ATOM 144 CB MET A 9 1.162 16.387 -3.500 1.00 0.00 C ATOM 145 CG MET A 9 2.047 17.267 -4.370 1.00 0.00 C ATOM 146 SD MET A 9 2.969 18.489 -3.417 1.00 0.00 S ATOM 147 CE MET A 9 4.599 17.748 -3.409 1.00 0.00 C ATOM 0 H MET A 9 0.191 14.588 -4.890 1.00 0.00 H new ATOM 0 HA MET A 9 2.715 14.920 -3.631 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.145 16.404 -3.893 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.122 16.804 -2.494 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.747 16.639 -4.921 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.429 17.779 -5.108 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.209 18.219 -2.638 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.513 16.681 -3.203 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.069 17.892 -4.382 1.00 0.00 H new ATOM 157 N LYS A 10 2.510 14.018 -1.368 1.00 0.00 N ATOM 158 CA LYS A 10 2.437 13.458 -0.030 1.00 0.00 C ATOM 159 C LYS A 10 2.774 14.499 1.026 1.00 0.00 C ATOM 160 O LYS A 10 3.717 15.275 0.874 1.00 0.00 O ATOM 161 CB LYS A 10 3.380 12.261 0.092 1.00 0.00 C ATOM 162 CG LYS A 10 2.655 10.960 0.380 1.00 0.00 C ATOM 163 CD LYS A 10 2.422 10.787 1.869 1.00 0.00 C ATOM 164 CE LYS A 10 1.043 11.282 2.275 1.00 0.00 C ATOM 165 NZ LYS A 10 1.069 11.988 3.583 1.00 0.00 N ATOM 0 H LYS A 10 3.456 14.103 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 10 1.412 13.127 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.947 12.157 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.100 12.453 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.700 10.947 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.239 10.122 -0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.526 9.735 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.185 11.333 2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.658 11.954 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.357 10.437 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.470 12.837 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.709 11.356 4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.046 12.266 3.808 1.00 0.00 H new ATOM 179 N LYS A 11 1.999 14.501 2.104 1.00 0.00 N ATOM 180 CA LYS A 11 2.217 15.441 3.199 1.00 0.00 C ATOM 181 C LYS A 11 2.338 14.701 4.530 1.00 0.00 C ATOM 182 O LYS A 11 1.462 14.806 5.389 1.00 0.00 O ATOM 183 CB LYS A 11 1.073 16.455 3.265 1.00 0.00 C ATOM 184 CG LYS A 11 0.668 17.006 1.908 1.00 0.00 C ATOM 185 CD LYS A 11 1.776 17.849 1.296 1.00 0.00 C ATOM 186 CE LYS A 11 1.249 18.739 0.182 1.00 0.00 C ATOM 187 NZ LYS A 11 1.167 20.166 0.602 1.00 0.00 N ATOM 0 H LYS A 11 1.215 13.864 2.244 1.00 0.00 H new ATOM 0 HA LYS A 11 3.150 15.972 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.207 15.983 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.369 17.282 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.424 16.182 1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.234 17.609 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.235 18.465 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.556 17.197 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.899 18.654 -0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.261 18.393 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.803 20.739 -0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.527 20.252 1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.114 20.504 0.868 1.00 0.00 H new ATOM 201 N ALA A 12 3.437 13.961 4.687 1.00 0.00 N ATOM 202 CA ALA A 12 3.706 13.195 5.909 1.00 0.00 C ATOM 203 C ALA A 12 2.424 12.655 6.546 1.00 0.00 C ATOM 204 O ALA A 12 1.793 13.335 7.355 1.00 0.00 O ATOM 205 CB ALA A 12 4.466 14.053 6.907 1.00 0.00 C ATOM 0 H ALA A 12 4.163 13.875 3.976 1.00 0.00 H new ATOM 0 HA ALA A 12 4.316 12.336 5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.660 13.475 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.412 14.370 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.871 14.931 7.159 1.00 0.00 H new ATOM 211 N GLY A 13 2.043 11.435 6.172 1.00 0.00 N ATOM 212 CA GLY A 13 0.834 10.833 6.715 1.00 0.00 C ATOM 213 C GLY A 13 -0.362 11.764 6.630 1.00 0.00 C ATOM 214 O GLY A 13 -0.547 12.623 7.492 1.00 0.00 O ATOM 0 H GLY A 13 2.548 10.853 5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.614 9.913 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.004 10.558 7.756 1.00 0.00 H new ATOM 218 N LYS A 14 -1.172 11.607 5.585 1.00 0.00 N ATOM 219 CA LYS A 14 -2.340 12.461 5.407 1.00 0.00 C ATOM 220 C LYS A 14 -3.409 11.789 4.529 1.00 0.00 C ATOM 221 O LYS A 14 -4.011 10.793 4.926 1.00 0.00 O ATOM 222 CB LYS A 14 -1.907 13.816 4.821 1.00 0.00 C ATOM 223 CG LYS A 14 -3.029 14.845 4.721 1.00 0.00 C ATOM 224 CD LYS A 14 -2.508 16.188 4.236 1.00 0.00 C ATOM 225 CE LYS A 14 -1.834 16.964 5.357 1.00 0.00 C ATOM 226 NZ LYS A 14 -1.706 18.411 5.031 1.00 0.00 N ATOM 0 H LYS A 14 -1.042 10.904 4.857 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.796 12.628 6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.108 14.226 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.491 13.652 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.797 14.483 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.501 14.967 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.799 16.032 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.333 16.774 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.409 16.848 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.845 16.545 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.242 18.905 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.136 18.523 4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.651 18.817 4.877 1.00 0.00 H new ATOM 240 N GLU A 15 -3.655 12.355 3.349 1.00 0.00 N ATOM 241 CA GLU A 15 -4.655 11.844 2.427 1.00 0.00 C ATOM 242 C GLU A 15 -4.253 10.520 1.780 1.00 0.00 C ATOM 243 O GLU A 15 -5.047 9.927 1.051 1.00 0.00 O ATOM 244 CB GLU A 15 -4.981 12.897 1.374 1.00 0.00 C ATOM 245 CG GLU A 15 -5.829 14.040 1.909 1.00 0.00 C ATOM 246 CD GLU A 15 -5.576 15.345 1.179 1.00 0.00 C ATOM 247 OE1 GLU A 15 -4.413 15.796 1.157 1.00 0.00 O ATOM 248 OE2 GLU A 15 -6.543 15.918 0.634 1.00 0.00 O ATOM 0 H GLU A 15 -3.163 13.182 3.009 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.551 11.631 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.051 13.300 0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.505 12.422 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.883 13.777 1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.622 14.176 2.970 1.00 0.00 H new ATOM 255 N LEU A 16 -3.026 10.051 2.029 1.00 0.00 N ATOM 256 CA LEU A 16 -2.576 8.789 1.434 1.00 0.00 C ATOM 257 C LEU A 16 -3.678 7.743 1.583 1.00 0.00 C ATOM 258 O LEU A 16 -3.893 6.913 0.700 1.00 0.00 O ATOM 259 CB LEU A 16 -1.290 8.303 2.114 1.00 0.00 C ATOM 260 CG LEU A 16 -0.046 8.269 1.220 1.00 0.00 C ATOM 261 CD1 LEU A 16 1.150 7.744 1.997 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.290 7.414 -0.012 1.00 0.00 C ATOM 0 H LEU A 16 -2.340 10.514 2.625 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.363 8.947 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.085 8.948 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.463 7.301 2.505 1.00 0.00 H new ATOM 0 HG LEU A 16 0.167 9.287 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.026 7.726 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.344 8.394 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.940 6.735 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.607 7.405 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.531 6.396 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.121 7.827 -0.583 1.00 0.00 H new ATOM 274 N GLY A 17 -4.397 7.844 2.700 1.00 0.00 N ATOM 275 CA GLY A 17 -5.520 6.976 2.999 1.00 0.00 C ATOM 276 C GLY A 17 -5.562 5.674 2.223 1.00 0.00 C ATOM 277 O GLY A 17 -6.496 5.429 1.460 1.00 0.00 O ATOM 0 H GLY A 17 -4.210 8.538 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.504 6.744 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.442 7.524 2.806 1.00 0.00 H new ATOM 281 N LEU A 18 -4.571 4.828 2.442 1.00 0.00 N ATOM 282 CA LEU A 18 -4.524 3.529 1.786 1.00 0.00 C ATOM 283 C LEU A 18 -3.956 2.484 2.735 1.00 0.00 C ATOM 284 O LEU A 18 -2.744 2.288 2.814 1.00 0.00 O ATOM 285 CB LEU A 18 -3.704 3.582 0.498 1.00 0.00 C ATOM 286 CG LEU A 18 -2.442 4.440 0.564 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.241 3.602 0.974 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.195 5.116 -0.777 1.00 0.00 C ATOM 0 H LEU A 18 -3.788 5.015 3.068 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.543 3.250 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.419 2.566 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.339 3.960 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.587 5.212 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.353 4.233 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.421 3.165 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.087 2.806 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.293 5.725 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.070 4.357 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.045 5.751 -1.026 1.00 0.00 H new ATOM 300 N SER A 19 -4.848 1.825 3.463 1.00 0.00 N ATOM 301 CA SER A 19 -4.452 0.803 4.424 1.00 0.00 C ATOM 302 C SER A 19 -3.689 -0.323 3.738 1.00 0.00 C ATOM 303 O SER A 19 -4.244 -1.047 2.910 1.00 0.00 O ATOM 304 CB SER A 19 -5.683 0.248 5.144 1.00 0.00 C ATOM 305 OG SER A 19 -5.452 -1.066 5.625 1.00 0.00 O ATOM 0 H SER A 19 -5.854 1.981 3.406 1.00 0.00 H new ATOM 0 HA SER A 19 -3.791 1.263 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.945 0.901 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.534 0.243 4.463 1.00 0.00 H new ATOM 0 HG SER A 19 -6.168 -1.318 6.245 1.00 0.00 H new ATOM 311 N LEU A 20 -2.413 -0.459 4.088 1.00 0.00 N ATOM 312 CA LEU A 20 -1.560 -1.491 3.509 1.00 0.00 C ATOM 313 C LEU A 20 -1.580 -2.766 4.349 1.00 0.00 C ATOM 314 O LEU A 20 -1.978 -2.752 5.514 1.00 0.00 O ATOM 315 CB LEU A 20 -0.120 -0.980 3.386 1.00 0.00 C ATOM 316 CG LEU A 20 0.114 0.150 2.372 1.00 0.00 C ATOM 317 CD1 LEU A 20 -0.962 0.161 1.296 1.00 0.00 C ATOM 318 CD2 LEU A 20 0.173 1.494 3.083 1.00 0.00 C ATOM 0 H LEU A 20 -1.946 0.136 4.773 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.950 -1.726 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.205 -0.633 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.520 -1.820 3.117 1.00 0.00 H new ATOM 0 HG LEU A 20 1.071 -0.031 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.767 0.972 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.953 -0.790 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.938 0.308 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.339 2.285 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.768 1.672 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.990 1.489 3.804 1.00 0.00 H new ATOM 330 N SER A 21 -1.133 -3.863 3.746 1.00 0.00 N ATOM 331 CA SER A 21 -1.080 -5.153 4.426 1.00 0.00 C ATOM 332 C SER A 21 0.224 -5.876 4.093 1.00 0.00 C ATOM 333 O SER A 21 0.900 -5.531 3.125 1.00 0.00 O ATOM 334 CB SER A 21 -2.281 -6.015 4.030 1.00 0.00 C ATOM 335 OG SER A 21 -2.982 -6.469 5.176 1.00 0.00 O ATOM 0 H SER A 21 -0.800 -3.884 2.782 1.00 0.00 H new ATOM 0 HA SER A 21 -1.117 -4.979 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.952 -5.439 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.942 -6.870 3.445 1.00 0.00 H new ATOM 0 HG SER A 21 -3.746 -7.016 4.897 1.00 0.00 H new ATOM 341 N PRO A 22 0.601 -6.887 4.893 1.00 0.00 N ATOM 342 CA PRO A 22 1.837 -7.646 4.675 1.00 0.00 C ATOM 343 C PRO A 22 1.772 -8.535 3.437 1.00 0.00 C ATOM 344 O PRO A 22 0.920 -9.419 3.339 1.00 0.00 O ATOM 345 CB PRO A 22 1.959 -8.498 5.940 1.00 0.00 C ATOM 346 CG PRO A 22 0.563 -8.642 6.439 1.00 0.00 C ATOM 347 CD PRO A 22 -0.139 -7.363 6.078 1.00 0.00 C ATOM 0 HA PRO A 22 2.689 -6.988 4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.403 -9.469 5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.596 -8.016 6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.071 -9.500 5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.549 -8.804 7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.192 -7.533 5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.100 -6.640 6.893 1.00 0.00 H new ATOM 355 N ASN A 23 2.684 -8.299 2.498 1.00 0.00 N ATOM 356 CA ASN A 23 2.738 -9.083 1.267 1.00 0.00 C ATOM 357 C ASN A 23 4.169 -9.519 0.967 1.00 0.00 C ATOM 358 O ASN A 23 5.126 -8.965 1.509 1.00 0.00 O ATOM 359 CB ASN A 23 2.174 -8.279 0.091 1.00 0.00 C ATOM 360 CG ASN A 23 1.027 -8.995 -0.597 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.963 -9.051 -1.825 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.113 -9.544 0.195 1.00 0.00 N ATOM 0 H ASN A 23 3.396 -7.571 2.566 1.00 0.00 H new ATOM 0 HA ASN A 23 2.126 -9.974 1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.831 -7.308 0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.968 -8.091 -0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.683 -10.037 -0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.207 -9.473 1.208 1.00 0.00 H new ATOM 369 N GLU A 24 4.307 -10.517 0.101 1.00 0.00 N ATOM 370 CA GLU A 24 5.620 -11.034 -0.273 1.00 0.00 C ATOM 371 C GLU A 24 6.257 -10.178 -1.364 1.00 0.00 C ATOM 372 O GLU A 24 7.481 -10.085 -1.457 1.00 0.00 O ATOM 373 CB GLU A 24 5.497 -12.478 -0.757 1.00 0.00 C ATOM 374 CG GLU A 24 4.650 -12.629 -2.011 1.00 0.00 C ATOM 375 CD GLU A 24 3.819 -13.896 -2.003 1.00 0.00 C ATOM 376 OE1 GLU A 24 4.411 -14.996 -2.044 1.00 0.00 O ATOM 377 OE2 GLU A 24 2.576 -13.791 -1.954 1.00 0.00 O ATOM 0 H GLU A 24 3.525 -10.985 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 24 6.260 -11.000 0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.494 -12.873 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.064 -13.084 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.990 -11.767 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.300 -12.630 -2.886 1.00 0.00 H new ATOM 384 N ILE A 25 5.419 -9.565 -2.191 1.00 0.00 N ATOM 385 CA ILE A 25 5.896 -8.725 -3.283 1.00 0.00 C ATOM 386 C ILE A 25 5.749 -7.239 -2.965 1.00 0.00 C ATOM 387 O ILE A 25 6.208 -6.387 -3.726 1.00 0.00 O ATOM 388 CB ILE A 25 5.140 -9.036 -4.587 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.645 -8.734 -4.414 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.370 -10.488 -4.985 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.750 -9.445 -5.405 1.00 0.00 C ATOM 0 H ILE A 25 4.403 -9.634 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 25 6.955 -8.951 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 25 5.520 -8.401 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.344 -9.013 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.490 -7.659 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.832 -10.702 -5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.436 -10.659 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.007 -11.144 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.711 -9.177 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.021 -9.148 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.873 -10.523 -5.298 1.00 0.00 H new ATOM 403 N GLY A 26 5.110 -6.931 -1.844 1.00 0.00 N ATOM 404 CA GLY A 26 4.921 -5.547 -1.457 1.00 0.00 C ATOM 405 C GLY A 26 3.945 -5.401 -0.310 1.00 0.00 C ATOM 406 O GLY A 26 4.114 -6.020 0.740 1.00 0.00 O ATOM 0 H GLY A 26 4.719 -7.615 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.881 -5.117 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.559 -4.978 -2.314 1.00 0.00 H new ATOM 410 N CYS A 27 2.921 -4.581 -0.510 1.00 0.00 N ATOM 411 CA CYS A 27 1.917 -4.360 0.522 1.00 0.00 C ATOM 412 C CYS A 27 0.521 -4.271 -0.082 1.00 0.00 C ATOM 413 O CYS A 27 0.160 -3.268 -0.696 1.00 0.00 O ATOM 414 CB CYS A 27 2.222 -3.083 1.317 1.00 0.00 C ATOM 415 SG CYS A 27 3.294 -1.897 0.466 1.00 0.00 S ATOM 0 H CYS A 27 2.764 -4.060 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 27 1.950 -5.213 1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.281 -2.590 1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.690 -3.362 2.261 1.00 0.00 H new ATOM 0 HG CYS A 27 4.523 -2.068 0.853 1.00 0.00 H new ATOM 421 N THR A 28 -0.267 -5.323 0.109 1.00 0.00 N ATOM 422 CA THR A 28 -1.630 -5.360 -0.403 1.00 0.00 C ATOM 423 C THR A 28 -2.501 -4.354 0.335 1.00 0.00 C ATOM 424 O THR A 28 -2.550 -4.349 1.564 1.00 0.00 O ATOM 425 CB THR A 28 -2.219 -6.763 -0.251 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.432 -7.718 -0.944 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.639 -6.877 -0.764 1.00 0.00 C ATOM 0 H THR A 28 0.016 -6.162 0.615 1.00 0.00 H new ATOM 0 HA THR A 28 -1.605 -5.099 -1.461 1.00 0.00 H new ATOM 0 HB THR A 28 -2.222 -6.958 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.965 -8.524 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.995 -7.898 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.281 -6.191 -0.212 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.664 -6.625 -1.824 1.00 0.00 H new ATOM 435 N ILE A 29 -3.191 -3.503 -0.415 1.00 0.00 N ATOM 436 CA ILE A 29 -4.058 -2.503 0.190 1.00 0.00 C ATOM 437 C ILE A 29 -5.289 -3.160 0.803 1.00 0.00 C ATOM 438 O ILE A 29 -6.205 -3.573 0.091 1.00 0.00 O ATOM 439 CB ILE A 29 -4.505 -1.445 -0.838 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.289 -0.855 -1.556 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.309 -0.348 -0.154 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.592 -0.367 -2.956 1.00 0.00 C ATOM 0 H ILE A 29 -3.167 -3.486 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.482 -2.007 0.971 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.143 -1.926 -1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.897 -0.025 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.504 -1.610 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.617 0.392 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.192 -0.783 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.694 0.133 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.685 0.038 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.956 -1.198 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.354 0.411 -2.913 1.00 0.00 H new ATOM 454 N ALA A 30 -5.302 -3.255 2.128 1.00 0.00 N ATOM 455 CA ALA A 30 -6.418 -3.864 2.837 1.00 0.00 C ATOM 456 C ALA A 30 -7.629 -2.939 2.849 1.00 0.00 C ATOM 457 O ALA A 30 -8.768 -3.395 2.958 1.00 0.00 O ATOM 458 CB ALA A 30 -6.010 -4.221 4.258 1.00 0.00 C ATOM 0 H ALA A 30 -4.552 -2.918 2.731 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.696 -4.778 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.855 -4.675 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.179 -4.926 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.704 -3.318 4.786 1.00 0.00 H new ATOM 464 N ASP A 31 -7.379 -1.637 2.737 1.00 0.00 N ATOM 465 CA ASP A 31 -8.460 -0.659 2.734 1.00 0.00 C ATOM 466 C ASP A 31 -8.031 0.634 2.059 1.00 0.00 C ATOM 467 O ASP A 31 -6.845 0.860 1.815 1.00 0.00 O ATOM 468 CB ASP A 31 -8.918 -0.362 4.162 1.00 0.00 C ATOM 469 CG ASP A 31 -10.233 -1.035 4.497 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.248 -2.278 4.617 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.247 -0.321 4.638 1.00 0.00 O ATOM 0 H ASP A 31 -6.444 -1.238 2.648 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.289 -1.087 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.153 -0.696 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.021 0.715 4.291 1.00 0.00 H new ATOM 476 N LEU A 32 -9.005 1.480 1.765 1.00 0.00 N ATOM 477 CA LEU A 32 -8.745 2.750 1.126 1.00 0.00 C ATOM 478 C LEU A 32 -9.851 3.751 1.431 1.00 0.00 C ATOM 479 O LEU A 32 -11.031 3.478 1.217 1.00 0.00 O ATOM 480 CB LEU A 32 -8.599 2.562 -0.379 1.00 0.00 C ATOM 481 CG LEU A 32 -7.317 3.147 -0.951 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.554 2.102 -1.753 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.615 4.370 -1.803 1.00 0.00 C ATOM 0 H LEU A 32 -9.990 1.303 1.963 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.811 3.147 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.634 1.497 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.452 3.023 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.687 3.459 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.641 2.545 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.298 1.263 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.176 1.750 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.683 4.772 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.271 4.088 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.105 5.128 -1.192 1.00 0.00 H new ATOM 495 N ILE A 33 -9.453 4.915 1.926 1.00 0.00 N ATOM 496 CA ILE A 33 -10.403 5.967 2.256 1.00 0.00 C ATOM 497 C ILE A 33 -10.515 6.966 1.114 1.00 0.00 C ATOM 498 O ILE A 33 -9.662 7.838 0.947 1.00 0.00 O ATOM 499 CB ILE A 33 -10.011 6.713 3.548 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.552 7.170 3.495 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.256 5.845 4.760 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.022 7.657 4.826 1.00 0.00 C ATOM 0 H ILE A 33 -8.478 5.154 2.108 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.367 5.484 2.418 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.639 7.600 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.933 6.343 3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.457 7.970 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.973 6.390 5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.313 5.582 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.659 4.936 4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.982 7.965 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.617 8.505 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.085 6.853 5.559 1.00 0.00 H new ATOM 514 N GLN A 34 -11.570 6.826 0.325 1.00 0.00 N ATOM 515 CA GLN A 34 -11.799 7.710 -0.810 1.00 0.00 C ATOM 516 C GLN A 34 -12.238 9.092 -0.341 1.00 0.00 C ATOM 517 O GLN A 34 -13.012 9.223 0.607 1.00 0.00 O ATOM 518 CB GLN A 34 -12.840 7.103 -1.747 1.00 0.00 C ATOM 519 CG GLN A 34 -12.434 5.743 -2.293 1.00 0.00 C ATOM 520 CD GLN A 34 -13.442 5.185 -3.279 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.583 5.644 -3.343 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.026 4.189 -4.052 1.00 0.00 N ATOM 0 H GLN A 34 -12.283 6.107 0.450 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.862 7.823 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.786 7.006 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.012 7.785 -2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.463 5.827 -2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.316 5.044 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.071 3.840 -3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.661 3.773 -4.733 1.00 0.00 H new ATOM 531 N GLY A 35 -11.720 10.121 -1.001 1.00 0.00 N ATOM 532 CA GLY A 35 -12.048 11.485 -0.634 1.00 0.00 C ATOM 533 C GLY A 35 -10.828 12.235 -0.137 1.00 0.00 C ATOM 534 O GLY A 35 -10.740 13.456 -0.268 1.00 0.00 O ATOM 0 H GLY A 35 -11.076 10.034 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.469 12.003 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.814 11.480 0.141 1.00 0.00 H new ATOM 538 N GLN A 36 -9.880 11.491 0.425 1.00 0.00 N ATOM 539 CA GLN A 36 -8.645 12.069 0.938 1.00 0.00 C ATOM 540 C GLN A 36 -7.796 12.617 -0.197 1.00 0.00 C ATOM 541 O GLN A 36 -7.503 13.812 -0.244 1.00 0.00 O ATOM 542 CB GLN A 36 -7.866 11.014 1.739 1.00 0.00 C ATOM 543 CG GLN A 36 -7.944 11.170 3.254 1.00 0.00 C ATOM 544 CD GLN A 36 -7.838 12.608 3.740 1.00 0.00 C ATOM 545 OE1 GLN A 36 -8.691 13.444 3.444 1.00 0.00 O ATOM 546 NE2 GLN A 36 -6.796 12.898 4.512 1.00 0.00 N ATOM 0 H GLN A 36 -9.946 10.479 0.537 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.895 12.898 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.240 10.026 1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.819 11.051 1.438 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.887 10.749 3.603 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.145 10.585 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.110 12.177 4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.682 13.842 4.882 1.00 0.00 H new ATOM 555 N TYR A 37 -7.401 11.747 -1.109 1.00 0.00 N ATOM 556 CA TYR A 37 -6.583 12.161 -2.235 1.00 0.00 C ATOM 557 C TYR A 37 -7.244 11.790 -3.562 1.00 0.00 C ATOM 558 O TYR A 37 -7.778 10.690 -3.715 1.00 0.00 O ATOM 559 CB TYR A 37 -5.205 11.516 -2.133 1.00 0.00 C ATOM 560 CG TYR A 37 -4.159 12.357 -1.428 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.154 13.747 -1.527 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.145 11.752 -0.695 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.171 14.500 -0.914 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.154 12.499 -0.088 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.170 13.873 -0.199 1.00 0.00 C ATOM 566 OH TYR A 37 -1.185 14.622 0.403 1.00 0.00 O ATOM 0 H TYR A 37 -7.632 10.754 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.478 13.246 -2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.302 10.566 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.851 11.289 -3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.930 14.243 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.131 10.676 -0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.186 15.577 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.370 12.009 0.471 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.487 14.831 -0.252 1.00 0.00 H new ATOM 576 N PRO A 38 -7.222 12.713 -4.542 1.00 0.00 N ATOM 577 CA PRO A 38 -7.828 12.483 -5.860 1.00 0.00 C ATOM 578 C PRO A 38 -7.095 11.422 -6.673 1.00 0.00 C ATOM 579 O PRO A 38 -7.714 10.506 -7.215 1.00 0.00 O ATOM 580 CB PRO A 38 -7.722 13.848 -6.545 1.00 0.00 C ATOM 581 CG PRO A 38 -6.589 14.531 -5.866 1.00 0.00 C ATOM 582 CD PRO A 38 -6.611 14.052 -4.442 1.00 0.00 C ATOM 0 HA PRO A 38 -8.848 12.110 -5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.535 13.740 -7.613 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.646 14.416 -6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.641 14.286 -6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.700 15.614 -5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.608 14.005 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.196 14.714 -3.804 1.00 0.00 H new ATOM 590 N GLU A 39 -5.773 11.548 -6.761 1.00 0.00 N ATOM 591 CA GLU A 39 -4.965 10.595 -7.515 1.00 0.00 C ATOM 592 C GLU A 39 -5.181 9.178 -7.000 1.00 0.00 C ATOM 593 O GLU A 39 -5.426 8.254 -7.776 1.00 0.00 O ATOM 594 CB GLU A 39 -3.482 10.958 -7.424 1.00 0.00 C ATOM 595 CG GLU A 39 -3.047 12.003 -8.438 1.00 0.00 C ATOM 596 CD GLU A 39 -2.708 11.400 -9.788 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.418 10.465 -10.215 1.00 0.00 O ATOM 598 OE2 GLU A 39 -1.733 11.863 -10.417 1.00 0.00 O ATOM 0 H GLU A 39 -5.241 12.298 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.278 10.641 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.268 11.326 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.887 10.056 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.843 12.737 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.178 12.537 -8.054 1.00 0.00 H new ATOM 605 N ILE A 40 -5.090 9.014 -5.687 1.00 0.00 N ATOM 606 CA ILE A 40 -5.279 7.710 -5.065 1.00 0.00 C ATOM 607 C ILE A 40 -6.648 7.138 -5.414 1.00 0.00 C ATOM 608 O ILE A 40 -6.765 5.974 -5.797 1.00 0.00 O ATOM 609 CB ILE A 40 -5.138 7.788 -3.533 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.908 8.623 -3.151 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.053 6.387 -2.944 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.531 8.519 -1.691 1.00 0.00 C ATOM 0 H ILE A 40 -4.886 9.768 -5.031 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.500 7.054 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.019 8.279 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.061 8.305 -3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.100 9.668 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.953 6.453 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.958 5.832 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.186 5.871 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.653 9.136 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.361 8.865 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.306 7.481 -1.446 1.00 0.00 H new ATOM 624 N ASP A 41 -7.678 7.967 -5.285 1.00 0.00 N ATOM 625 CA ASP A 41 -9.038 7.547 -5.595 1.00 0.00 C ATOM 626 C ASP A 41 -9.166 7.189 -7.074 1.00 0.00 C ATOM 627 O ASP A 41 -9.967 6.334 -7.451 1.00 0.00 O ATOM 628 CB ASP A 41 -10.031 8.655 -5.241 1.00 0.00 C ATOM 629 CG ASP A 41 -10.310 8.724 -3.754 1.00 0.00 C ATOM 630 OD1 ASP A 41 -9.419 8.349 -2.964 1.00 0.00 O ATOM 631 OD2 ASP A 41 -11.421 9.154 -3.378 1.00 0.00 O ATOM 0 H ASP A 41 -7.596 8.933 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.266 6.663 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.638 9.614 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.966 8.487 -5.776 1.00 0.00 H new ATOM 636 N SER A 42 -8.367 7.852 -7.904 1.00 0.00 N ATOM 637 CA SER A 42 -8.383 7.609 -9.343 1.00 0.00 C ATOM 638 C SER A 42 -7.273 6.645 -9.753 1.00 0.00 C ATOM 639 O SER A 42 -7.103 6.352 -10.937 1.00 0.00 O ATOM 640 CB SER A 42 -8.216 8.927 -10.100 1.00 0.00 C ATOM 641 OG SER A 42 -9.464 9.576 -10.279 1.00 0.00 O ATOM 0 H SER A 42 -7.699 8.563 -7.605 1.00 0.00 H new ATOM 0 HA SER A 42 -9.343 7.159 -9.595 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.538 9.581 -9.552 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.759 8.737 -11.071 1.00 0.00 H new ATOM 0 HG SER A 42 -9.329 10.417 -10.764 1.00 0.00 H new ATOM 647 N LYS A 43 -6.512 6.165 -8.774 1.00 0.00 N ATOM 648 CA LYS A 43 -5.414 5.249 -9.049 1.00 0.00 C ATOM 649 C LYS A 43 -5.498 4.004 -8.177 1.00 0.00 C ATOM 650 O LYS A 43 -5.836 2.920 -8.654 1.00 0.00 O ATOM 651 CB LYS A 43 -4.080 5.957 -8.814 1.00 0.00 C ATOM 652 CG LYS A 43 -3.751 6.995 -9.874 1.00 0.00 C ATOM 653 CD LYS A 43 -2.426 6.709 -10.565 1.00 0.00 C ATOM 654 CE LYS A 43 -2.637 6.253 -11.999 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.408 6.419 -12.824 1.00 0.00 N ATOM 0 H LYS A 43 -6.636 6.395 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.486 4.937 -10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.101 6.440 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.283 5.214 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.549 7.019 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.714 7.983 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.807 7.606 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.884 5.941 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.939 5.206 -12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.452 6.823 -12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.605 6.128 -13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.114 7.416 -12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.646 5.828 -12.434 1.00 0.00 H new ATOM 669 N LEU A 44 -5.177 4.161 -6.899 1.00 0.00 N ATOM 670 CA LEU A 44 -5.202 3.046 -5.961 1.00 0.00 C ATOM 671 C LEU A 44 -6.629 2.669 -5.577 1.00 0.00 C ATOM 672 O LEU A 44 -7.504 3.528 -5.470 1.00 0.00 O ATOM 673 CB LEU A 44 -4.394 3.391 -4.708 1.00 0.00 C ATOM 674 CG LEU A 44 -2.910 3.673 -4.958 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.158 3.779 -3.640 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.301 2.590 -5.833 1.00 0.00 C ATOM 0 H LEU A 44 -4.896 5.051 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.750 2.186 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.841 4.265 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.478 2.567 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.825 4.626 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.105 3.980 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.577 4.591 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.252 2.842 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.246 2.807 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.398 1.624 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.821 2.561 -6.790 1.00 0.00 H new ATOM 688 N GLN A 45 -6.848 1.375 -5.370 1.00 0.00 N ATOM 689 CA GLN A 45 -8.162 0.867 -4.994 1.00 0.00 C ATOM 690 C GLN A 45 -8.028 -0.421 -4.186 1.00 0.00 C ATOM 691 O GLN A 45 -6.965 -1.041 -4.161 1.00 0.00 O ATOM 692 CB GLN A 45 -9.011 0.616 -6.244 1.00 0.00 C ATOM 693 CG GLN A 45 -10.439 1.123 -6.120 1.00 0.00 C ATOM 694 CD GLN A 45 -10.855 1.986 -7.296 1.00 0.00 C ATOM 695 OE1 GLN A 45 -10.211 1.978 -8.343 1.00 0.00 O ATOM 696 NE2 GLN A 45 -11.938 2.736 -7.127 1.00 0.00 N ATOM 0 H GLN A 45 -6.129 0.656 -5.457 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.656 1.616 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.536 1.098 -7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.031 -0.454 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.117 0.273 -6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.538 1.698 -5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.442 2.711 -6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.266 3.337 -7.884 1.00 0.00 H new ATOM 705 N ARG A 46 -9.109 -0.818 -3.524 1.00 0.00 N ATOM 706 CA ARG A 46 -9.105 -2.030 -2.714 1.00 0.00 C ATOM 707 C ARG A 46 -8.779 -3.254 -3.565 1.00 0.00 C ATOM 708 O ARG A 46 -9.596 -3.698 -4.371 1.00 0.00 O ATOM 709 CB ARG A 46 -10.460 -2.215 -2.027 1.00 0.00 C ATOM 710 CG ARG A 46 -10.490 -1.712 -0.593 1.00 0.00 C ATOM 711 CD ARG A 46 -11.913 -1.568 -0.082 1.00 0.00 C ATOM 712 NE ARG A 46 -12.014 -0.570 0.982 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.157 0.002 1.355 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.296 -0.324 0.756 1.00 0.00 N ATOM 715 NH2 ARG A 46 -13.161 0.901 2.330 1.00 0.00 N ATOM 0 H ARG A 46 -9.998 -0.319 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.332 -1.925 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.224 -1.692 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.722 -3.273 -2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.941 -2.402 0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.982 -0.749 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.568 -1.286 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.264 -2.531 0.289 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.159 -0.296 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.298 -1.016 0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.169 0.117 1.046 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.289 1.154 2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.036 1.339 2.616 1.00 0.00 H new ATOM 729 N GLY A 47 -7.578 -3.795 -3.377 1.00 0.00 N ATOM 730 CA GLY A 47 -7.165 -4.964 -4.133 1.00 0.00 C ATOM 731 C GLY A 47 -5.934 -4.705 -4.981 1.00 0.00 C ATOM 732 O GLY A 47 -5.853 -5.157 -6.123 1.00 0.00 O ATOM 0 H GLY A 47 -6.885 -3.445 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.961 -5.784 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.984 -5.284 -4.777 1.00 0.00 H new ATOM 736 N ASP A 48 -4.974 -3.976 -4.422 1.00 0.00 N ATOM 737 CA ASP A 48 -3.743 -3.657 -5.134 1.00 0.00 C ATOM 738 C ASP A 48 -2.534 -3.788 -4.213 1.00 0.00 C ATOM 739 O ASP A 48 -2.550 -3.309 -3.080 1.00 0.00 O ATOM 740 CB ASP A 48 -3.813 -2.239 -5.704 1.00 0.00 C ATOM 741 CG ASP A 48 -4.290 -2.214 -7.144 1.00 0.00 C ATOM 742 OD1 ASP A 48 -4.346 -3.291 -7.772 1.00 0.00 O ATOM 743 OD2 ASP A 48 -4.607 -1.114 -7.644 1.00 0.00 O ATOM 0 H ASP A 48 -5.025 -3.595 -3.477 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.631 -4.366 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.485 -1.638 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.827 -1.777 -5.643 1.00 0.00 H new ATOM 748 N ILE A 49 -1.486 -4.440 -4.706 1.00 0.00 N ATOM 749 CA ILE A 49 -0.270 -4.635 -3.924 1.00 0.00 C ATOM 750 C ILE A 49 0.850 -3.732 -4.426 1.00 0.00 C ATOM 751 O ILE A 49 1.294 -3.855 -5.567 1.00 0.00 O ATOM 752 CB ILE A 49 0.223 -6.098 -3.976 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.957 -7.073 -4.058 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.088 -6.408 -2.765 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.575 -8.441 -4.584 1.00 0.00 C ATOM 0 H ILE A 49 -1.454 -4.842 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.523 -4.382 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 49 0.825 -6.222 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.396 -7.183 -3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.726 -6.647 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.428 -7.442 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.951 -5.743 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.506 -6.262 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.459 -9.079 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.163 -8.343 -5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.172 -8.888 -3.928 1.00 0.00 H new ATOM 767 N ILE A 50 1.311 -2.827 -3.569 1.00 0.00 N ATOM 768 CA ILE A 50 2.383 -1.914 -3.939 1.00 0.00 C ATOM 769 C ILE A 50 3.727 -2.631 -3.938 1.00 0.00 C ATOM 770 O ILE A 50 4.331 -2.845 -2.886 1.00 0.00 O ATOM 771 CB ILE A 50 2.454 -0.703 -2.989 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.083 -0.035 -2.881 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.498 0.294 -3.472 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.759 0.455 -1.491 1.00 0.00 C ATOM 0 H ILE A 50 0.960 -2.707 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 50 2.162 -1.554 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 50 2.748 -1.054 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.042 0.806 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.317 -0.744 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.534 1.143 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.475 -0.189 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.234 0.643 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.228 0.917 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.767 -0.386 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.504 1.188 -1.181 1.00 0.00 H new ATOM 786 N THR A 51 4.186 -3.001 -5.125 1.00 0.00 N ATOM 787 CA THR A 51 5.458 -3.698 -5.272 1.00 0.00 C ATOM 788 C THR A 51 6.550 -2.743 -5.753 1.00 0.00 C ATOM 789 O THR A 51 7.539 -3.162 -6.353 1.00 0.00 O ATOM 790 CB THR A 51 5.312 -4.866 -6.251 1.00 0.00 C ATOM 791 OG1 THR A 51 5.385 -4.411 -7.590 1.00 0.00 O ATOM 792 CG2 THR A 51 4.009 -5.623 -6.094 1.00 0.00 C ATOM 0 H THR A 51 3.696 -2.830 -6.003 1.00 0.00 H new ATOM 0 HA THR A 51 5.748 -4.087 -4.296 1.00 0.00 H new ATOM 0 HB THR A 51 6.135 -5.541 -6.017 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.291 -5.172 -8.200 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.971 -6.437 -6.818 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.945 -6.031 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.172 -4.946 -6.265 1.00 0.00 H new ATOM 800 N LYS A 52 6.359 -1.456 -5.478 1.00 0.00 N ATOM 801 CA LYS A 52 7.316 -0.428 -5.868 1.00 0.00 C ATOM 802 C LYS A 52 6.971 0.894 -5.194 1.00 0.00 C ATOM 803 O LYS A 52 5.811 1.305 -5.170 1.00 0.00 O ATOM 804 CB LYS A 52 7.331 -0.255 -7.389 1.00 0.00 C ATOM 805 CG LYS A 52 8.610 -0.748 -8.045 1.00 0.00 C ATOM 806 CD LYS A 52 9.038 0.159 -9.188 1.00 0.00 C ATOM 807 CE LYS A 52 10.223 -0.419 -9.945 1.00 0.00 C ATOM 808 NZ LYS A 52 10.543 0.374 -11.164 1.00 0.00 N ATOM 0 H LYS A 52 5.542 -1.099 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 52 8.309 -0.741 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.484 -0.792 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.193 0.800 -7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.405 -0.797 -7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.461 -1.761 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.202 0.302 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.300 1.142 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.094 -0.446 -9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.005 -1.449 -10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.356 -0.052 -11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.721 0.379 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.776 1.350 -10.892 1.00 0.00 H new ATOM 822 N PHE A 53 7.979 1.551 -4.634 1.00 0.00 N ATOM 823 CA PHE A 53 7.770 2.818 -3.946 1.00 0.00 C ATOM 824 C PHE A 53 8.913 3.790 -4.219 1.00 0.00 C ATOM 825 O PHE A 53 10.030 3.603 -3.737 1.00 0.00 O ATOM 826 CB PHE A 53 7.634 2.568 -2.444 1.00 0.00 C ATOM 827 CG PHE A 53 7.315 3.794 -1.644 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.328 4.603 -1.162 1.00 0.00 C ATOM 829 CD2 PHE A 53 6.002 4.128 -1.364 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.038 5.728 -0.417 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.704 5.251 -0.619 1.00 0.00 C ATOM 832 CZ PHE A 53 6.723 6.053 -0.145 1.00 0.00 C ATOM 0 H PHE A 53 8.947 1.228 -4.643 1.00 0.00 H new ATOM 0 HA PHE A 53 6.853 3.270 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.852 1.827 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.564 2.137 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.357 4.352 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.202 3.503 -1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.837 6.353 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.675 5.502 -0.407 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.493 6.933 0.437 1.00 0.00 H new ATOM 842 N ASN A 54 8.623 4.830 -4.997 1.00 0.00 N ATOM 843 CA ASN A 54 9.623 5.836 -5.340 1.00 0.00 C ATOM 844 C ASN A 54 10.854 5.188 -5.966 1.00 0.00 C ATOM 845 O ASN A 54 11.980 5.398 -5.513 1.00 0.00 O ATOM 846 CB ASN A 54 10.024 6.632 -4.095 1.00 0.00 C ATOM 847 CG ASN A 54 9.147 7.851 -3.881 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.509 8.964 -4.261 1.00 0.00 O ATOM 849 ND2 ASN A 54 7.988 7.645 -3.268 1.00 0.00 N ATOM 0 H ASN A 54 7.702 4.998 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 54 9.184 6.516 -6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.964 5.986 -3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.063 6.947 -4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.357 8.427 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.729 6.705 -2.970 1.00 0.00 H new ATOM 856 N GLY A 55 10.632 4.395 -7.010 1.00 0.00 N ATOM 857 CA GLY A 55 11.731 3.725 -7.678 1.00 0.00 C ATOM 858 C GLY A 55 12.397 2.683 -6.796 1.00 0.00 C ATOM 859 O GLY A 55 13.514 2.249 -7.075 1.00 0.00 O ATOM 0 H GLY A 55 9.711 4.205 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.363 3.247 -8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.471 4.464 -7.984 1.00 0.00 H new ATOM 863 N ASP A 56 11.710 2.282 -5.731 1.00 0.00 N ATOM 864 CA ASP A 56 12.241 1.286 -4.807 1.00 0.00 C ATOM 865 C ASP A 56 11.294 0.095 -4.699 1.00 0.00 C ATOM 866 O ASP A 56 10.280 0.156 -4.002 1.00 0.00 O ATOM 867 CB ASP A 56 12.463 1.904 -3.427 1.00 0.00 C ATOM 868 CG ASP A 56 13.260 0.998 -2.509 1.00 0.00 C ATOM 869 OD1 ASP A 56 12.664 0.064 -1.933 1.00 0.00 O ATOM 870 OD2 ASP A 56 14.480 1.224 -2.365 1.00 0.00 O ATOM 0 H ASP A 56 10.784 2.632 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 56 13.198 0.937 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.985 2.855 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.498 2.121 -2.970 1.00 0.00 H new ATOM 875 N ALA A 57 11.629 -0.986 -5.393 1.00 0.00 N ATOM 876 CA ALA A 57 10.808 -2.191 -5.381 1.00 0.00 C ATOM 877 C ALA A 57 10.590 -2.700 -3.960 1.00 0.00 C ATOM 878 O ALA A 57 11.547 -2.973 -3.233 1.00 0.00 O ATOM 879 CB ALA A 57 11.450 -3.273 -6.236 1.00 0.00 C ATOM 0 H ALA A 57 12.466 -1.053 -5.973 1.00 0.00 H new ATOM 0 HA ALA A 57 9.834 -1.938 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.827 -4.168 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.546 -2.917 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.438 -3.511 -5.841 1.00 0.00 H new ATOM 885 N LEU A 58 9.325 -2.833 -3.573 1.00 0.00 N ATOM 886 CA LEU A 58 8.979 -3.318 -2.243 1.00 0.00 C ATOM 887 C LEU A 58 8.721 -4.824 -2.265 1.00 0.00 C ATOM 888 O LEU A 58 8.030 -5.357 -1.399 1.00 0.00 O ATOM 889 CB LEU A 58 7.742 -2.585 -1.711 1.00 0.00 C ATOM 890 CG LEU A 58 7.770 -1.060 -1.861 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.359 -0.509 -2.028 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.453 -0.418 -0.663 1.00 0.00 C ATOM 0 H LEU A 58 8.523 -2.611 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 58 9.822 -3.119 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.862 -2.968 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.622 -2.828 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 58 8.342 -0.816 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.402 0.575 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.902 -0.942 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.762 -0.766 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.463 0.665 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.909 -0.674 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.477 -0.785 -0.588 1.00 0.00 H new ATOM 904 N GLU A 59 9.281 -5.505 -3.262 1.00 0.00 N ATOM 905 CA GLU A 59 9.108 -6.947 -3.397 1.00 0.00 C ATOM 906 C GLU A 59 10.210 -7.708 -2.670 1.00 0.00 C ATOM 907 O GLU A 59 11.394 -7.534 -2.958 1.00 0.00 O ATOM 908 CB GLU A 59 9.093 -7.340 -4.876 1.00 0.00 C ATOM 909 CG GLU A 59 8.789 -8.811 -5.112 1.00 0.00 C ATOM 910 CD GLU A 59 9.527 -9.372 -6.311 1.00 0.00 C ATOM 911 OE1 GLU A 59 10.732 -9.678 -6.178 1.00 0.00 O ATOM 912 OE2 GLU A 59 8.903 -9.507 -7.384 1.00 0.00 O ATOM 0 H GLU A 59 9.858 -5.080 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 59 8.154 -7.214 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.350 -6.736 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.061 -7.103 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.060 -9.382 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.716 -8.938 -5.258 1.00 0.00 H new ATOM 919 N GLY A 60 9.809 -8.559 -1.732 1.00 0.00 N ATOM 920 CA GLY A 60 10.770 -9.346 -0.982 1.00 0.00 C ATOM 921 C GLY A 60 11.106 -8.743 0.370 1.00 0.00 C ATOM 922 O GLY A 60 12.090 -9.133 0.998 1.00 0.00 O ATOM 0 H GLY A 60 8.834 -8.718 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.374 -10.351 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.685 -9.445 -1.566 1.00 0.00 H new ATOM 926 N LEU A 61 10.292 -7.795 0.825 1.00 0.00 N ATOM 927 CA LEU A 61 10.523 -7.150 2.114 1.00 0.00 C ATOM 928 C LEU A 61 9.273 -7.205 2.989 1.00 0.00 C ATOM 929 O LEU A 61 8.162 -7.389 2.491 1.00 0.00 O ATOM 930 CB LEU A 61 10.957 -5.694 1.917 1.00 0.00 C ATOM 931 CG LEU A 61 10.309 -4.973 0.731 1.00 0.00 C ATOM 932 CD1 LEU A 61 9.772 -3.616 1.163 1.00 0.00 C ATOM 933 CD2 LEU A 61 11.305 -4.818 -0.412 1.00 0.00 C ATOM 0 H LEU A 61 9.470 -7.458 0.323 1.00 0.00 H new ATOM 0 HA LEU A 61 11.321 -7.694 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.730 -5.138 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.039 -5.669 1.789 1.00 0.00 H new ATOM 0 HG LEU A 61 9.474 -5.576 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.315 -3.117 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.026 -3.752 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.590 -3.006 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.826 -4.304 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.162 -4.237 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.641 -5.802 -0.738 1.00 0.00 H new ATOM 945 N PRO A 62 9.442 -7.047 4.315 1.00 0.00 N ATOM 946 CA PRO A 62 8.325 -7.079 5.268 1.00 0.00 C ATOM 947 C PRO A 62 7.380 -5.897 5.096 1.00 0.00 C ATOM 948 O PRO A 62 7.504 -5.122 4.147 1.00 0.00 O ATOM 949 CB PRO A 62 9.014 -7.008 6.633 1.00 0.00 C ATOM 950 CG PRO A 62 10.333 -6.371 6.363 1.00 0.00 C ATOM 951 CD PRO A 62 10.734 -6.823 4.988 1.00 0.00 C ATOM 0 HA PRO A 62 7.705 -7.965 5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.429 -6.421 7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.136 -8.001 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.259 -5.285 6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.072 -6.674 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.330 -6.069 4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.333 -7.733 5.022 1.00 0.00 H new ATOM 959 N PHE A 63 6.440 -5.759 6.026 1.00 0.00 N ATOM 960 CA PHE A 63 5.480 -4.663 5.981 1.00 0.00 C ATOM 961 C PHE A 63 5.982 -3.481 6.799 1.00 0.00 C ATOM 962 O PHE A 63 5.729 -2.329 6.457 1.00 0.00 O ATOM 963 CB PHE A 63 4.115 -5.115 6.503 1.00 0.00 C ATOM 964 CG PHE A 63 3.091 -4.012 6.537 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.985 -3.116 5.485 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.237 -3.872 7.620 1.00 0.00 C ATOM 967 CE1 PHE A 63 2.048 -2.102 5.512 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.298 -2.858 7.652 1.00 0.00 C ATOM 969 CZ PHE A 63 1.203 -1.973 6.597 1.00 0.00 C ATOM 0 H PHE A 63 6.323 -6.391 6.818 1.00 0.00 H new ATOM 0 HA PHE A 63 5.370 -4.353 4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.744 -5.925 5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.235 -5.520 7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.643 -3.212 4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.306 -4.563 8.448 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.976 -1.410 4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.639 -2.758 8.502 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.469 -1.181 6.620 1.00 0.00 H new ATOM 979 N GLN A 64 6.698 -3.774 7.881 1.00 0.00 N ATOM 980 CA GLN A 64 7.238 -2.729 8.743 1.00 0.00 C ATOM 981 C GLN A 64 7.951 -1.665 7.916 1.00 0.00 C ATOM 982 O GLN A 64 7.745 -0.467 8.111 1.00 0.00 O ATOM 983 CB GLN A 64 8.206 -3.329 9.765 1.00 0.00 C ATOM 984 CG GLN A 64 9.403 -4.022 9.135 1.00 0.00 C ATOM 985 CD GLN A 64 10.273 -4.726 10.157 1.00 0.00 C ATOM 986 OE1 GLN A 64 11.420 -4.340 10.384 1.00 0.00 O ATOM 987 NE2 GLN A 64 9.730 -5.764 10.782 1.00 0.00 N ATOM 0 H GLN A 64 6.917 -4.724 8.181 1.00 0.00 H new ATOM 0 HA GLN A 64 6.408 -2.262 9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.561 -2.538 10.425 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.668 -4.045 10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.053 -4.747 8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.002 -3.287 8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.776 -6.049 10.562 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.267 -6.276 11.482 1.00 0.00 H new ATOM 996 N VAL A 65 8.780 -2.115 6.981 1.00 0.00 N ATOM 997 CA VAL A 65 9.515 -1.204 6.115 1.00 0.00 C ATOM 998 C VAL A 65 8.562 -0.428 5.213 1.00 0.00 C ATOM 999 O VAL A 65 8.755 0.763 4.966 1.00 0.00 O ATOM 1000 CB VAL A 65 10.536 -1.959 5.240 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.632 -2.568 6.101 1.00 0.00 C ATOM 1002 CG2 VAL A 65 9.842 -3.027 4.411 1.00 0.00 C ATOM 0 H VAL A 65 8.959 -3.103 6.804 1.00 0.00 H new ATOM 0 HA VAL A 65 10.051 -0.509 6.762 1.00 0.00 H new ATOM 0 HB VAL A 65 10.998 -1.246 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.343 -3.096 5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.149 -1.777 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.191 -3.267 6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.578 -3.549 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.350 -3.739 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.099 -2.560 3.764 1.00 0.00 H new ATOM 1012 N CYS A 66 7.528 -1.111 4.727 1.00 0.00 N ATOM 1013 CA CYS A 66 6.538 -0.485 3.857 1.00 0.00 C ATOM 1014 C CYS A 66 5.787 0.615 4.598 1.00 0.00 C ATOM 1015 O CYS A 66 5.725 1.754 4.145 1.00 0.00 O ATOM 1016 CB CYS A 66 5.552 -1.534 3.336 1.00 0.00 C ATOM 1017 SG CYS A 66 6.207 -2.564 2.002 1.00 0.00 S ATOM 0 H CYS A 66 7.355 -2.097 4.921 1.00 0.00 H new ATOM 0 HA CYS A 66 7.060 -0.038 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.252 -2.177 4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.653 -1.029 2.983 1.00 0.00 H new ATOM 0 HG CYS A 66 6.731 -3.643 2.504 1.00 0.00 H new ATOM 1023 N TYR A 67 5.223 0.264 5.747 1.00 0.00 N ATOM 1024 CA TYR A 67 4.482 1.221 6.556 1.00 0.00 C ATOM 1025 C TYR A 67 5.365 2.412 6.925 1.00 0.00 C ATOM 1026 O TYR A 67 4.877 3.526 7.104 1.00 0.00 O ATOM 1027 CB TYR A 67 3.957 0.555 7.828 1.00 0.00 C ATOM 1028 CG TYR A 67 2.866 1.346 8.512 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.606 1.466 7.940 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.096 1.978 9.728 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.606 2.193 8.558 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.103 2.706 10.354 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.860 2.810 9.764 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.131 3.536 10.385 1.00 0.00 O ATOM 0 H TYR A 67 5.265 -0.677 6.139 1.00 0.00 H new ATOM 0 HA TYR A 67 3.637 1.577 5.967 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.576 -0.436 7.580 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.784 0.414 8.524 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.404 0.983 6.996 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.068 1.899 10.192 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.368 2.277 8.099 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.298 3.191 11.299 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.369 4.307 9.829 1.00 0.00 H new ATOM 1044 N ALA A 68 6.666 2.159 7.058 1.00 0.00 N ATOM 1045 CA ALA A 68 7.619 3.201 7.431 1.00 0.00 C ATOM 1046 C ALA A 68 7.814 4.244 6.332 1.00 0.00 C ATOM 1047 O ALA A 68 7.717 5.444 6.591 1.00 0.00 O ATOM 1048 CB ALA A 68 8.957 2.572 7.786 1.00 0.00 C ATOM 0 H ALA A 68 7.084 1.240 6.913 1.00 0.00 H new ATOM 0 HA ALA A 68 7.205 3.719 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.664 3.354 8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.826 1.887 8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.341 2.024 6.926 1.00 0.00 H new ATOM 1054 N LEU A 69 8.092 3.795 5.112 1.00 0.00 N ATOM 1055 CA LEU A 69 8.300 4.721 4.002 1.00 0.00 C ATOM 1056 C LEU A 69 6.998 5.421 3.640 1.00 0.00 C ATOM 1057 O LEU A 69 6.981 6.623 3.379 1.00 0.00 O ATOM 1058 CB LEU A 69 8.875 4.004 2.778 1.00 0.00 C ATOM 1059 CG LEU A 69 8.218 2.666 2.439 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.470 2.753 1.118 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.261 1.557 2.391 1.00 0.00 C ATOM 0 H LEU A 69 8.178 2.808 4.868 1.00 0.00 H new ATOM 0 HA LEU A 69 9.024 5.469 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.785 4.664 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.940 3.837 2.942 1.00 0.00 H new ATOM 0 HG LEU A 69 7.499 2.430 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.010 1.790 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.696 3.517 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.167 3.014 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.776 0.612 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.004 1.789 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.750 1.475 3.362 1.00 0.00 H new ATOM 1073 N PHE A 70 5.904 4.666 3.646 1.00 0.00 N ATOM 1074 CA PHE A 70 4.600 5.230 3.336 1.00 0.00 C ATOM 1075 C PHE A 70 4.220 6.261 4.394 1.00 0.00 C ATOM 1076 O PHE A 70 3.533 7.242 4.105 1.00 0.00 O ATOM 1077 CB PHE A 70 3.541 4.128 3.257 1.00 0.00 C ATOM 1078 CG PHE A 70 3.444 3.500 1.896 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.915 4.208 0.829 1.00 0.00 C ATOM 1080 CD2 PHE A 70 3.887 2.204 1.682 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.835 3.638 -0.426 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.807 1.628 0.428 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.280 2.346 -0.627 1.00 0.00 C ATOM 0 H PHE A 70 5.896 3.669 3.861 1.00 0.00 H new ATOM 0 HA PHE A 70 4.650 5.721 2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.773 3.356 3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.571 4.545 3.528 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.561 5.217 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.299 1.638 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.425 4.202 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.156 0.618 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.216 1.898 -1.608 1.00 0.00 H new ATOM 1093 N LYS A 71 4.692 6.037 5.618 1.00 0.00 N ATOM 1094 CA LYS A 71 4.427 6.952 6.721 1.00 0.00 C ATOM 1095 C LYS A 71 5.363 8.152 6.640 1.00 0.00 C ATOM 1096 O LYS A 71 4.997 9.268 7.004 1.00 0.00 O ATOM 1097 CB LYS A 71 4.613 6.244 8.065 1.00 0.00 C ATOM 1098 CG LYS A 71 3.343 5.601 8.598 1.00 0.00 C ATOM 1099 CD LYS A 71 3.307 5.624 10.118 1.00 0.00 C ATOM 1100 CE LYS A 71 4.479 4.863 10.718 1.00 0.00 C ATOM 1101 NZ LYS A 71 5.314 5.732 11.595 1.00 0.00 N ATOM 0 H LYS A 71 5.260 5.228 5.869 1.00 0.00 H new ATOM 0 HA LYS A 71 3.395 7.293 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.381 5.478 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.980 6.963 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.474 6.127 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.279 4.571 8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.326 6.656 10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.372 5.187 10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.106 4.017 11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.096 4.456 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.102 5.177 11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.691 6.526 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.732 6.101 12.374 1.00 0.00 H new ATOM 1115 N GLY A 72 6.578 7.903 6.157 1.00 0.00 N ATOM 1116 CA GLY A 72 7.558 8.962 6.026 1.00 0.00 C ATOM 1117 C GLY A 72 7.502 9.646 4.674 1.00 0.00 C ATOM 1118 O GLY A 72 8.429 10.361 4.298 1.00 0.00 O ATOM 0 H GLY A 72 6.899 6.984 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.395 9.702 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.555 8.550 6.179 1.00 0.00 H new ATOM 1122 N ALA A 73 6.411 9.432 3.943 1.00 0.00 N ATOM 1123 CA ALA A 73 6.239 10.042 2.633 1.00 0.00 C ATOM 1124 C ALA A 73 5.827 11.503 2.776 1.00 0.00 C ATOM 1125 O ALA A 73 4.940 11.827 3.566 1.00 0.00 O ATOM 1126 CB ALA A 73 5.200 9.276 1.830 1.00 0.00 C ATOM 0 H ALA A 73 5.634 8.840 4.238 1.00 0.00 H new ATOM 0 HA ALA A 73 7.190 10.002 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.080 9.742 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.527 8.244 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.247 9.292 2.359 1.00 0.00 H new ATOM 1132 N ASN A 74 6.469 12.383 2.017 1.00 0.00 N ATOM 1133 CA ASN A 74 6.152 13.807 2.076 1.00 0.00 C ATOM 1134 C ASN A 74 6.795 14.563 0.920 1.00 0.00 C ATOM 1135 O ASN A 74 7.917 15.058 1.034 1.00 0.00 O ATOM 1136 CB ASN A 74 6.611 14.404 3.408 1.00 0.00 C ATOM 1137 CG ASN A 74 8.061 14.095 3.711 1.00 0.00 C ATOM 1138 OD1 ASN A 74 8.947 14.922 3.487 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.311 12.898 4.223 1.00 0.00 N ATOM 0 H ASN A 74 7.208 12.139 1.357 1.00 0.00 H new ATOM 0 HA ASN A 74 5.070 13.909 1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.470 15.485 3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.984 14.017 4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.269 12.630 4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.545 12.245 4.392 1.00 0.00 H new ATOM 1146 N GLY A 75 6.074 14.649 -0.191 1.00 0.00 N ATOM 1147 CA GLY A 75 6.586 15.349 -1.355 1.00 0.00 C ATOM 1148 C GLY A 75 6.631 14.469 -2.587 1.00 0.00 C ATOM 1149 O GLY A 75 7.658 13.859 -2.884 1.00 0.00 O ATOM 0 H GLY A 75 5.144 14.247 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.961 16.219 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.588 15.720 -1.140 1.00 0.00 H new ATOM 1153 N LYS A 76 5.512 14.405 -3.306 1.00 0.00 N ATOM 1154 CA LYS A 76 5.421 13.594 -4.512 1.00 0.00 C ATOM 1155 C LYS A 76 5.768 12.138 -4.213 1.00 0.00 C ATOM 1156 O LYS A 76 6.921 11.802 -3.945 1.00 0.00 O ATOM 1157 CB LYS A 76 6.346 14.152 -5.592 1.00 0.00 C ATOM 1158 CG LYS A 76 5.731 14.145 -6.980 1.00 0.00 C ATOM 1159 CD LYS A 76 5.055 15.470 -7.299 1.00 0.00 C ATOM 1160 CE LYS A 76 3.543 15.367 -7.181 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.865 16.613 -7.631 1.00 0.00 N ATOM 0 H LYS A 76 4.656 14.907 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 76 4.394 13.630 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.621 15.174 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.266 13.568 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.505 13.943 -7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.002 13.337 -7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.422 16.240 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.322 15.782 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.189 14.526 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.273 15.160 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.835 16.502 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.183 17.412 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.102 16.797 -8.627 1.00 0.00 H new ATOM 1175 N VAL A 77 4.755 11.279 -4.248 1.00 0.00 N ATOM 1176 CA VAL A 77 4.941 9.859 -3.968 1.00 0.00 C ATOM 1177 C VAL A 77 4.478 8.992 -5.131 1.00 0.00 C ATOM 1178 O VAL A 77 3.279 8.838 -5.359 1.00 0.00 O ATOM 1179 CB VAL A 77 4.164 9.431 -2.710 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.054 9.508 -1.484 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.917 10.273 -2.525 1.00 0.00 C ATOM 0 H VAL A 77 3.794 11.542 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 77 6.010 9.716 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 77 3.849 8.396 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.488 9.202 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.910 8.846 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.404 10.532 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.388 9.948 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.198 11.321 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.267 10.156 -3.392 1.00 0.00 H new ATOM 1191 N SER A 78 5.432 8.406 -5.845 1.00 0.00 N ATOM 1192 CA SER A 78 5.116 7.532 -6.970 1.00 0.00 C ATOM 1193 C SER A 78 5.215 6.073 -6.540 1.00 0.00 C ATOM 1194 O SER A 78 6.295 5.590 -6.204 1.00 0.00 O ATOM 1195 CB SER A 78 6.063 7.804 -8.139 1.00 0.00 C ATOM 1196 OG SER A 78 5.796 6.935 -9.225 1.00 0.00 O ATOM 0 H SER A 78 6.430 8.520 -5.666 1.00 0.00 H new ATOM 0 HA SER A 78 4.096 7.736 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.957 8.839 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.095 7.676 -7.812 1.00 0.00 H new ATOM 0 HG SER A 78 6.414 7.130 -9.960 1.00 0.00 H new ATOM 1202 N MET A 79 4.083 5.381 -6.535 1.00 0.00 N ATOM 1203 CA MET A 79 4.050 3.983 -6.123 1.00 0.00 C ATOM 1204 C MET A 79 3.499 3.085 -7.225 1.00 0.00 C ATOM 1205 O MET A 79 2.386 3.290 -7.706 1.00 0.00 O ATOM 1206 CB MET A 79 3.199 3.818 -4.858 1.00 0.00 C ATOM 1207 CG MET A 79 3.095 5.077 -4.014 1.00 0.00 C ATOM 1208 SD MET A 79 1.564 5.984 -4.305 1.00 0.00 S ATOM 1209 CE MET A 79 0.718 5.720 -2.750 1.00 0.00 C ATOM 0 H MET A 79 3.178 5.763 -6.811 1.00 0.00 H new ATOM 0 HA MET A 79 5.077 3.682 -5.916 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.196 3.502 -5.146 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.622 3.019 -4.249 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.159 4.809 -2.959 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.944 5.726 -4.230 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.209 6.293 -2.738 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.491 4.660 -2.635 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.356 6.045 -1.929 1.00 0.00 H new ATOM 1219 N GLU A 80 4.275 2.072 -7.605 1.00 0.00 N ATOM 1220 CA GLU A 80 3.841 1.132 -8.632 1.00 0.00 C ATOM 1221 C GLU A 80 3.033 0.009 -7.997 1.00 0.00 C ATOM 1222 O GLU A 80 3.586 -0.875 -7.343 1.00 0.00 O ATOM 1223 CB GLU A 80 5.039 0.560 -9.396 1.00 0.00 C ATOM 1224 CG GLU A 80 4.980 0.815 -10.894 1.00 0.00 C ATOM 1225 CD GLU A 80 6.273 1.391 -11.437 1.00 0.00 C ATOM 1226 OE1 GLU A 80 6.971 2.100 -10.684 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.587 1.133 -12.620 1.00 0.00 O ATOM 0 H GLU A 80 5.200 1.883 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 80 3.213 1.666 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.956 0.995 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.093 -0.514 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.758 -0.119 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.161 1.501 -11.110 1.00 0.00 H new ATOM 1234 N VAL A 81 1.720 0.060 -8.180 1.00 0.00 N ATOM 1235 CA VAL A 81 0.832 -0.945 -7.609 1.00 0.00 C ATOM 1236 C VAL A 81 0.521 -2.053 -8.603 1.00 0.00 C ATOM 1237 O VAL A 81 0.360 -1.808 -9.797 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.493 -0.328 -7.121 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.344 0.186 -5.700 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -0.948 0.779 -8.055 1.00 0.00 C ATOM 0 H VAL A 81 1.247 0.785 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 81 1.364 -1.367 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.259 -1.104 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.288 0.619 -5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.072 -0.639 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.435 0.947 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.885 1.200 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.189 1.560 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.097 0.373 -9.055 1.00 0.00 H new ATOM 1250 N THR A 82 0.435 -3.276 -8.092 1.00 0.00 N ATOM 1251 CA THR A 82 0.141 -4.436 -8.919 1.00 0.00 C ATOM 1252 C THR A 82 -1.267 -4.952 -8.636 1.00 0.00 C ATOM 1253 O THR A 82 -1.593 -5.300 -7.500 1.00 0.00 O ATOM 1254 CB THR A 82 1.167 -5.540 -8.655 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.470 -5.103 -9.001 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.894 -6.815 -9.423 1.00 0.00 C ATOM 0 H THR A 82 0.566 -3.488 -7.103 1.00 0.00 H new ATOM 0 HA THR A 82 0.198 -4.140 -9.966 1.00 0.00 H new ATOM 0 HB THR A 82 1.088 -5.756 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.767 -4.422 -8.362 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.661 -7.553 -9.187 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.084 -7.206 -9.143 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.909 -6.606 -10.493 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.099 -4.992 -9.671 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.473 -5.459 -9.529 1.00 0.00 C ATOM 1266 C ARG A 83 -3.636 -6.868 -10.095 1.00 0.00 C ATOM 1267 O ARG A 83 -3.892 -7.040 -11.286 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.435 -4.499 -10.231 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.880 -4.652 -9.786 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.755 -3.537 -10.338 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.110 -3.586 -9.795 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.443 -3.131 -8.588 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -7.522 -2.597 -7.797 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -9.700 -3.214 -8.173 1.00 0.00 N ATOM 0 H ARG A 83 -1.846 -4.707 -10.617 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.710 -5.488 -8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.113 -3.474 -10.045 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.376 -4.661 -11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.264 -5.616 -10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.929 -4.649 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.305 -2.573 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.797 -3.613 -11.425 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.845 -3.993 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.554 -2.533 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.782 -2.250 -6.874 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.411 -3.626 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.956 -2.866 -7.249 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.493 -7.897 -9.242 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.628 -9.294 -9.663 1.00 0.00 C ATOM 1290 C PRO A 84 -5.077 -9.672 -9.952 1.00 0.00 C ATOM 1291 O PRO A 84 -5.970 -8.826 -9.909 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.104 -10.076 -8.459 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.350 -9.185 -7.293 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.187 -7.779 -7.802 1.00 0.00 C ATOM 0 HA PRO A 84 -3.090 -9.497 -10.589 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.625 -11.027 -8.347 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.044 -10.304 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.350 -9.340 -6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.645 -9.392 -6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.867 -7.090 -7.302 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.176 -7.406 -7.635 1.00 0.00 H new ATOM 1302 N LYS A 85 -5.302 -10.948 -10.244 1.00 0.00 N ATOM 1303 CA LYS A 85 -6.644 -11.441 -10.538 1.00 0.00 C ATOM 1304 C LYS A 85 -6.859 -12.827 -9.935 1.00 0.00 C ATOM 1305 O LYS A 85 -5.901 -13.543 -9.647 1.00 0.00 O ATOM 1306 CB LYS A 85 -6.874 -11.489 -12.051 1.00 0.00 C ATOM 1307 CG LYS A 85 -5.675 -11.992 -12.836 1.00 0.00 C ATOM 1308 CD LYS A 85 -4.805 -10.844 -13.320 1.00 0.00 C ATOM 1309 CE LYS A 85 -5.348 -10.236 -14.603 1.00 0.00 C ATOM 1310 NZ LYS A 85 -4.994 -8.795 -14.729 1.00 0.00 N ATOM 0 H LYS A 85 -4.573 -11.660 -10.284 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.362 -10.754 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.729 -12.132 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.134 -10.490 -12.402 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.083 -12.660 -12.210 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.017 -12.576 -13.690 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.750 -10.077 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.789 -11.201 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.953 -10.783 -15.459 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.432 -10.347 -14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.439 -8.401 -15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.334 -8.280 -13.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.961 -8.696 -14.801 1.00 0.00 H new ATOM 1324 N PRO A 86 -8.128 -13.223 -9.733 1.00 0.00 N ATOM 1325 CA PRO A 86 -8.466 -14.529 -9.160 1.00 0.00 C ATOM 1326 C PRO A 86 -8.070 -15.682 -10.077 1.00 0.00 C ATOM 1327 O PRO A 86 -7.634 -15.468 -11.208 1.00 0.00 O ATOM 1328 CB PRO A 86 -9.988 -14.471 -9.002 1.00 0.00 C ATOM 1329 CG PRO A 86 -10.436 -13.444 -9.983 1.00 0.00 C ATOM 1330 CD PRO A 86 -9.329 -12.430 -10.050 1.00 0.00 C ATOM 0 HA PRO A 86 -7.936 -14.711 -8.225 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.444 -15.439 -9.208 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -10.270 -14.196 -7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.617 -13.890 -10.961 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.371 -12.982 -9.666 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.261 -11.973 -11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.479 -11.622 -9.334 1.00 0.00 H new ATOM 1338 N GLY A 87 -8.224 -16.906 -9.580 1.00 0.00 N ATOM 1339 CA GLY A 87 -7.878 -18.075 -10.367 1.00 0.00 C ATOM 1340 C GLY A 87 -8.550 -19.335 -9.863 1.00 0.00 C ATOM 1341 O GLY A 87 -9.670 -19.654 -10.264 1.00 0.00 O ATOM 0 H GLY A 87 -8.582 -17.108 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.162 -17.906 -11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.797 -18.213 -10.351 1.00 0.00 H new ATOM 1345 N SER A 88 -7.866 -20.056 -8.979 1.00 0.00 N ATOM 1346 CA SER A 88 -8.405 -21.290 -8.418 1.00 0.00 C ATOM 1347 C SER A 88 -9.447 -20.991 -7.346 1.00 0.00 C ATOM 1348 O SER A 88 -10.487 -21.648 -7.277 1.00 0.00 O ATOM 1349 CB SER A 88 -7.278 -22.140 -7.830 1.00 0.00 C ATOM 1350 OG SER A 88 -7.744 -23.435 -7.485 1.00 0.00 O ATOM 0 H SER A 88 -6.938 -19.807 -8.636 1.00 0.00 H new ATOM 0 HA SER A 88 -8.888 -21.846 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.465 -22.222 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.871 -21.649 -6.946 1.00 0.00 H new ATOM 0 HG SER A 88 -7.005 -23.960 -7.113 1.00 0.00 H new ATOM 1356 N GLY A 89 -9.162 -19.997 -6.510 1.00 0.00 N ATOM 1357 CA GLY A 89 -10.084 -19.630 -5.453 1.00 0.00 C ATOM 1358 C GLY A 89 -9.484 -18.634 -4.479 1.00 0.00 C ATOM 1359 O GLY A 89 -8.264 -18.557 -4.334 1.00 0.00 O ATOM 0 H GLY A 89 -8.308 -19.440 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.986 -19.205 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.386 -20.526 -4.911 1.00 0.00 H new ATOM 1363 N GLY A 90 -10.343 -17.872 -3.811 1.00 0.00 N ATOM 1364 CA GLY A 90 -9.872 -16.886 -2.856 1.00 0.00 C ATOM 1365 C GLY A 90 -10.878 -16.619 -1.755 1.00 0.00 C ATOM 1366 O GLY A 90 -11.948 -17.225 -1.723 1.00 0.00 O ATOM 0 H GLY A 90 -11.357 -17.919 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.937 -17.230 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.654 -15.954 -3.378 1.00 0.00 H new ATOM 1370 N SER A 91 -10.535 -15.706 -0.851 1.00 0.00 N ATOM 1371 CA SER A 91 -11.418 -15.360 0.256 1.00 0.00 C ATOM 1372 C SER A 91 -12.494 -14.375 -0.192 1.00 0.00 C ATOM 1373 O SER A 91 -13.619 -14.402 0.306 1.00 0.00 O ATOM 1374 CB SER A 91 -10.610 -14.760 1.410 1.00 0.00 C ATOM 1375 OG SER A 91 -9.296 -15.290 1.443 1.00 0.00 O ATOM 0 H SER A 91 -9.653 -15.194 -0.864 1.00 0.00 H new ATOM 0 HA SER A 91 -11.907 -16.273 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.566 -13.676 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.112 -14.966 2.355 1.00 0.00 H new ATOM 0 HG SER A 91 -8.800 -14.890 2.188 1.00 0.00 H new ATOM 1381 N GLY A 92 -12.140 -13.507 -1.134 1.00 0.00 N ATOM 1382 CA GLY A 92 -13.086 -12.526 -1.633 1.00 0.00 C ATOM 1383 C GLY A 92 -12.613 -11.102 -1.416 1.00 0.00 C ATOM 1384 O GLY A 92 -11.716 -10.626 -2.111 1.00 0.00 O ATOM 0 H GLY A 92 -11.215 -13.465 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.250 -12.693 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.046 -12.666 -1.137 1.00 0.00 H new ATOM 1388 N SER A 93 -13.219 -10.421 -0.448 1.00 0.00 N ATOM 1389 CA SER A 93 -12.855 -9.043 -0.140 1.00 0.00 C ATOM 1390 C SER A 93 -12.005 -8.977 1.124 1.00 0.00 C ATOM 1391 O SER A 93 -11.720 -9.999 1.746 1.00 0.00 O ATOM 1392 CB SER A 93 -14.112 -8.187 0.030 1.00 0.00 C ATOM 1393 OG SER A 93 -14.963 -8.301 -1.097 1.00 0.00 O ATOM 0 H SER A 93 -13.964 -10.801 0.136 1.00 0.00 H new ATOM 0 HA SER A 93 -12.269 -8.652 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.648 -8.497 0.927 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.829 -7.144 0.172 1.00 0.00 H new ATOM 0 HG SER A 93 -15.760 -7.746 -0.963 1.00 0.00 H new ATOM 1399 N LEU A 94 -11.605 -7.766 1.500 1.00 0.00 N ATOM 1400 CA LEU A 94 -10.787 -7.569 2.692 1.00 0.00 C ATOM 1401 C LEU A 94 -11.573 -6.847 3.782 1.00 0.00 C ATOM 1402 O LEU A 94 -11.348 -7.066 4.972 1.00 0.00 O ATOM 1403 CB LEU A 94 -9.519 -6.779 2.345 1.00 0.00 C ATOM 1404 CG LEU A 94 -8.209 -7.541 2.546 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -8.068 -7.988 3.992 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -8.139 -8.735 1.605 1.00 0.00 C ATOM 0 H LEU A 94 -11.833 -6.908 0.998 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.500 -8.550 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.581 -6.460 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.494 -5.875 2.954 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.381 -6.872 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.130 -8.529 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.073 -7.115 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.900 -8.641 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.200 -9.267 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.974 -9.406 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.193 -8.389 0.573 1.00 0.00 H new ATOM 1418 N VAL A 95 -12.495 -5.980 3.369 1.00 0.00 N ATOM 1419 CA VAL A 95 -13.307 -5.225 4.316 1.00 0.00 C ATOM 1420 C VAL A 95 -14.754 -5.098 3.842 1.00 0.00 C ATOM 1421 O VAL A 95 -15.031 -4.453 2.831 1.00 0.00 O ATOM 1422 CB VAL A 95 -12.727 -3.818 4.543 1.00 0.00 C ATOM 1423 CG1 VAL A 95 -12.750 -3.013 3.252 1.00 0.00 C ATOM 1424 CG2 VAL A 95 -13.485 -3.096 5.648 1.00 0.00 C ATOM 0 H VAL A 95 -12.697 -5.784 2.388 1.00 0.00 H new ATOM 0 HA VAL A 95 -13.292 -5.779 5.254 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.689 -3.922 4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -12.336 -2.021 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -12.153 -3.522 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.777 -2.918 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.059 -2.103 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.535 -3.003 5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.405 -3.664 6.575 1.00 0.00 H new ATOM 1434 N PRO A 96 -15.700 -5.709 4.576 1.00 0.00 N ATOM 1435 CA PRO A 96 -17.123 -5.654 4.233 1.00 0.00 C ATOM 1436 C PRO A 96 -17.745 -4.306 4.585 1.00 0.00 C ATOM 1437 O PRO A 96 -17.036 -3.342 4.870 1.00 0.00 O ATOM 1438 CB PRO A 96 -17.727 -6.766 5.092 1.00 0.00 C ATOM 1439 CG PRO A 96 -16.837 -6.843 6.282 1.00 0.00 C ATOM 1440 CD PRO A 96 -15.455 -6.497 5.800 1.00 0.00 C ATOM 0 HA PRO A 96 -17.299 -5.778 3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -18.753 -6.534 5.378 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -17.753 -7.714 4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -17.163 -6.149 7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -16.858 -7.841 6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -14.904 -5.921 6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -14.868 -7.391 5.590 1.00 0.00 H new ATOM 1448 N ARG A 97 -19.073 -4.248 4.571 1.00 0.00 N ATOM 1449 CA ARG A 97 -19.785 -3.017 4.897 1.00 0.00 C ATOM 1450 C ARG A 97 -20.050 -2.930 6.397 1.00 0.00 C ATOM 1451 O ARG A 97 -21.198 -2.956 6.841 1.00 0.00 O ATOM 1452 CB ARG A 97 -21.104 -2.946 4.125 1.00 0.00 C ATOM 1453 CG ARG A 97 -20.993 -2.221 2.793 1.00 0.00 C ATOM 1454 CD ARG A 97 -22.072 -1.159 2.642 1.00 0.00 C ATOM 1455 NE ARG A 97 -21.934 -0.409 1.396 1.00 0.00 N ATOM 1456 CZ ARG A 97 -22.901 0.335 0.867 1.00 0.00 C ATOM 1457 NH1 ARG A 97 -24.079 0.432 1.470 1.00 0.00 N ATOM 1458 NH2 ARG A 97 -22.692 0.985 -0.270 1.00 0.00 N ATOM 0 H ARG A 97 -19.677 -5.037 4.338 1.00 0.00 H new ATOM 0 HA ARG A 97 -19.160 -2.173 4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -21.467 -3.959 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -21.849 -2.443 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -20.010 -1.756 2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -21.074 -2.941 1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -23.053 -1.633 2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -22.024 -0.471 3.486 1.00 0.00 H new ATOM 0 HE ARG A 97 -21.043 -0.459 0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -24.247 -0.066 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -24.817 1.004 1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -21.789 0.914 -0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -23.434 1.555 -0.675 1.00 0.00 H new ATOM 1472 N LEU A 98 -18.976 -2.838 7.175 1.00 0.00 N ATOM 1473 CA LEU A 98 -19.084 -2.757 8.627 1.00 0.00 C ATOM 1474 C LEU A 98 -19.234 -1.311 9.096 1.00 0.00 C ATOM 1475 O LEU A 98 -20.304 -0.902 9.544 1.00 0.00 O ATOM 1476 CB LEU A 98 -17.855 -3.396 9.280 1.00 0.00 C ATOM 1477 CG LEU A 98 -18.005 -4.872 9.666 1.00 0.00 C ATOM 1478 CD1 LEU A 98 -18.842 -5.621 8.636 1.00 0.00 C ATOM 1479 CD2 LEU A 98 -16.638 -5.522 9.810 1.00 0.00 C ATOM 0 H LEU A 98 -18.019 -2.818 6.823 1.00 0.00 H new ATOM 0 HA LEU A 98 -19.979 -3.302 8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -17.011 -3.301 8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -17.605 -2.828 10.176 1.00 0.00 H new ATOM 0 HG LEU A 98 -18.520 -4.922 10.625 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -18.934 -6.666 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -19.833 -5.172 8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -18.358 -5.561 7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -16.760 -6.570 10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -16.102 -5.455 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -16.071 -5.008 10.586 1.00 0.00 H new ATOM 1491 N LEU A 99 -18.152 -0.546 9.000 1.00 0.00 N ATOM 1492 CA LEU A 99 -18.165 0.852 9.423 1.00 0.00 C ATOM 1493 C LEU A 99 -17.491 1.748 8.386 1.00 0.00 C ATOM 1494 O LEU A 99 -17.291 1.346 7.241 1.00 0.00 O ATOM 1495 CB LEU A 99 -17.465 0.996 10.778 1.00 0.00 C ATOM 1496 CG LEU A 99 -18.112 1.998 11.738 1.00 0.00 C ATOM 1497 CD1 LEU A 99 -18.967 1.275 12.767 1.00 0.00 C ATOM 1498 CD2 LEU A 99 -17.049 2.842 12.425 1.00 0.00 C ATOM 0 H LEU A 99 -17.256 -0.868 8.634 1.00 0.00 H new ATOM 0 HA LEU A 99 -19.204 1.168 9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -17.437 0.019 11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.431 1.296 10.606 1.00 0.00 H new ATOM 0 HG LEU A 99 -18.756 2.661 11.160 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -19.419 2.003 13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -19.752 0.715 12.259 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -18.344 0.588 13.340 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -17.528 3.548 13.103 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -16.379 2.194 12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.478 3.389 11.675 1.00 0.00 H new ATOM 1510 N ARG A 100 -17.146 2.967 8.796 1.00 0.00 N ATOM 1511 CA ARG A 100 -16.495 3.923 7.905 1.00 0.00 C ATOM 1512 C ARG A 100 -15.276 3.299 7.229 1.00 0.00 C ATOM 1513 O ARG A 100 -15.337 2.899 6.067 1.00 0.00 O ATOM 1514 CB ARG A 100 -16.084 5.177 8.678 1.00 0.00 C ATOM 1515 CG ARG A 100 -17.073 6.324 8.549 1.00 0.00 C ATOM 1516 CD ARG A 100 -18.456 5.927 9.043 1.00 0.00 C ATOM 1517 NE ARG A 100 -19.502 6.269 8.080 1.00 0.00 N ATOM 1518 CZ ARG A 100 -19.994 7.495 7.925 1.00 0.00 C ATOM 1519 NH1 ARG A 100 -19.541 8.499 8.665 1.00 0.00 N ATOM 1520 NH2 ARG A 100 -20.945 7.718 7.027 1.00 0.00 N ATOM 0 H ARG A 100 -17.307 3.316 9.741 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.209 4.203 7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -15.971 4.923 9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -15.108 5.508 8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -16.714 7.181 9.119 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -17.134 6.638 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -18.478 4.854 9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -18.659 6.425 9.991 1.00 0.00 H new ATOM 0 HE ARG A 100 -19.876 5.524 7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -18.811 8.333 9.358 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -19.923 9.437 8.541 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -21.298 6.950 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -21.323 8.658 6.907 1.00 0.00 H new ATOM 1534 N ARG A 101 -14.170 3.217 7.963 1.00 0.00 N ATOM 1535 CA ARG A 101 -12.947 2.636 7.425 1.00 0.00 C ATOM 1536 C ARG A 101 -12.142 1.927 8.515 1.00 0.00 C ATOM 1537 O ARG A 101 -11.776 0.765 8.359 1.00 0.00 O ATOM 1538 CB ARG A 101 -12.112 3.713 6.713 1.00 0.00 C ATOM 1539 CG ARG A 101 -11.231 4.556 7.626 1.00 0.00 C ATOM 1540 CD ARG A 101 -12.036 5.630 8.335 1.00 0.00 C ATOM 1541 NE ARG A 101 -11.345 6.151 9.511 1.00 0.00 N ATOM 1542 CZ ARG A 101 -11.948 6.819 10.490 1.00 0.00 C ATOM 1543 NH1 ARG A 101 -13.257 7.044 10.442 1.00 0.00 N ATOM 1544 NH2 ARG A 101 -11.244 7.263 11.523 1.00 0.00 N ATOM 0 H ARG A 101 -14.097 3.544 8.926 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.221 1.880 6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.479 3.228 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.787 4.376 6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.749 3.914 8.363 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.437 5.021 7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.238 6.447 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.001 5.220 8.634 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.340 5.993 9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.804 6.704 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.714 7.557 11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.239 7.092 11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.707 7.775 12.273 1.00 0.00 H new ATOM 1558 N ASN A 102 -11.883 2.632 9.617 1.00 0.00 N ATOM 1559 CA ASN A 102 -11.125 2.079 10.748 1.00 0.00 C ATOM 1560 C ASN A 102 -10.059 1.086 10.281 1.00 0.00 C ATOM 1561 O ASN A 102 -10.267 -0.126 10.334 1.00 0.00 O ATOM 1562 CB ASN A 102 -12.073 1.395 11.735 1.00 0.00 C ATOM 1563 CG ASN A 102 -12.812 2.389 12.610 1.00 0.00 C ATOM 1564 OD1 ASN A 102 -12.507 2.537 13.795 1.00 0.00 O ATOM 1565 ND2 ASN A 102 -13.790 3.076 12.031 1.00 0.00 N ATOM 0 H ASN A 102 -12.189 3.595 9.754 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.620 2.908 11.243 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.795 0.793 11.183 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.505 0.712 12.366 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.323 3.758 12.571 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.009 2.921 11.047 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.929 1.606 9.807 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.852 0.756 9.309 1.00 0.00 C ATOM 1574 C GLN A 103 -6.474 1.310 9.645 1.00 0.00 C ATOM 1575 O GLN A 103 -6.342 2.388 10.222 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.982 0.605 7.794 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.190 -0.203 7.383 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.846 -1.637 7.033 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -7.715 -1.942 6.656 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.824 -2.527 7.158 1.00 0.00 N ATOM 0 H GLN A 103 -8.737 2.606 9.758 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.946 -0.213 9.800 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -8.042 1.594 7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.083 0.128 7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.919 -0.196 8.194 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.664 0.272 6.524 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.747 -2.229 7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.652 -3.508 6.938 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.447 0.558 9.254 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.069 0.964 9.481 1.00 0.00 C ATOM 1591 C TYR A 104 -3.626 1.881 8.354 1.00 0.00 C ATOM 1592 O TYR A 104 -3.227 1.421 7.286 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.158 -0.266 9.545 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.836 -0.017 10.238 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.781 0.650 11.455 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.642 -0.461 9.679 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.576 0.870 12.096 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.566 -0.242 10.313 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.593 0.421 11.520 1.00 0.00 C ATOM 1600 OH TYR A 104 1.794 0.638 12.156 1.00 0.00 O ATOM 0 H TYR A 104 -5.548 -0.338 8.777 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.001 1.495 10.431 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.683 -1.068 10.064 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.965 -0.616 8.531 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.695 1.003 11.908 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.660 -0.985 8.735 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.551 1.390 13.042 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.485 -0.589 9.864 1.00 0.00 H new ATOM 0 HH TYR A 104 2.368 1.194 11.589 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.713 3.180 8.591 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.337 4.162 7.586 1.00 0.00 C ATOM 1612 C TRP A 105 -1.991 4.795 7.914 1.00 0.00 C ATOM 1613 O TRP A 105 -1.721 5.148 9.063 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.412 5.245 7.479 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.814 4.707 7.444 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.627 4.443 8.513 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.572 4.361 6.280 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.840 3.983 8.081 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.830 3.917 6.719 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.317 4.386 4.908 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.819 3.507 5.843 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.309 3.968 4.040 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.547 3.536 4.518 1.00 0.00 C ATOM 0 H TRP A 105 -4.041 3.579 9.471 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.248 3.649 6.629 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.315 5.925 8.325 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.235 5.831 6.577 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.350 4.578 9.548 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.625 3.730 8.681 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.363 4.725 4.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.780 3.174 6.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.123 3.976 2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.303 3.218 3.816 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.149 4.939 6.897 1.00 0.00 N ATOM 1635 CA VAL A 106 0.169 5.533 7.074 1.00 0.00 C ATOM 1636 C VAL A 106 0.077 7.053 7.172 1.00 0.00 C ATOM 1637 O VAL A 106 -0.802 7.636 6.501 1.00 0.00 O ATOM 1638 CB VAL A 106 1.115 5.162 5.918 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.391 3.666 5.911 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.534 5.610 4.585 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.880 7.649 7.919 1.00 0.00 O ATOM 0 H VAL A 106 -1.357 4.652 5.941 1.00 0.00 H new ATOM 0 HA VAL A 106 0.572 5.133 8.004 1.00 0.00 H new ATOM 0 HB VAL A 106 2.061 5.682 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.062 3.424 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.856 3.377 6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.454 3.124 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.218 5.339 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.427 5.122 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.395 6.691 4.594 1.00 0.00 H new TER 1651 VAL A 106