USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 847 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 59 ASN : amide:sc= -0.296 K(o=-1.5,f=-12!) USER MOD Set 1.2: A 65 SER OG : rot 90:sc= -1.25 USER MOD Single : A 1 MET CE :methyl 168:sc=-0.00232 (180deg=-0.0861) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.55) USER MOD Single : A 7 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.14) USER MOD Single : A 13 HIS : no HD1:sc= -0.803 K(o=-0.8,f=-1.7!) USER MOD Single : A 14 GLN : amide:sc= -0.785 X(o=-0.79,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= -0.0246 (180deg=-0.194) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0132) USER MOD Single : A 21 SER OG : rot 180:sc= -0.276 USER MOD Single : A 22 THR OG1 : rot -79:sc= 0.604 USER MOD Single : A 23 TYR OH : rot 150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 179:sc= 0 (180deg=-0.00148) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.09) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= -0.0202 (180deg=-0.152) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 50 SER OG : rot -105:sc= 0.595 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -0.0223 (180deg=-0.179) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -1.2! (180deg=-1.74!) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc=-0.00602 (180deg=-0.13) USER MOD Single : A 74 GLN : amide:sc= -2! C(o=-2!,f=-5.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.563 K(o=-0.56,f=-2.8) USER MOD Single : A 77 LYS NZ :NH3+ -136:sc= 1 (180deg=-0.548!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -137:sc= 1.24 (180deg=0.909) USER MOD Single : A 96 TYR OH : rot 105:sc= -1.07! USER MOD Single : A 97 LYS NZ :NH3+ -174:sc= 0.503 (180deg=0.45) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.687 -2.248 12.205 1.00 53.31 N ATOM 2 CA MET A 1 -16.409 -2.607 11.537 1.00 2.51 C ATOM 3 C MET A 1 -16.626 -3.714 10.495 1.00 55.34 C ATOM 4 O MET A 1 -16.920 -4.860 10.845 1.00 23.34 O ATOM 5 CB MET A 1 -15.380 -3.062 12.584 1.00 73.21 C ATOM 6 CG MET A 1 -14.013 -3.408 12.005 1.00 64.22 C ATOM 7 SD MET A 1 -13.250 -2.013 11.155 1.00 40.04 S ATOM 8 CE MET A 1 -11.659 -2.710 10.713 1.00 1.51 C ATOM 0 H1 MET A 1 -17.514 -1.498 12.905 1.00 53.31 H new ATOM 0 H2 MET A 1 -18.367 -1.909 11.495 1.00 53.31 H new ATOM 0 H3 MET A 1 -18.076 -3.085 12.684 1.00 53.31 H new ATOM 0 HA MET A 1 -16.031 -1.724 11.022 1.00 2.51 H new ATOM 0 HB2 MET A 1 -15.259 -2.272 13.326 1.00 73.21 H new ATOM 0 HB3 MET A 1 -15.772 -3.934 13.108 1.00 73.21 H new ATOM 0 HG2 MET A 1 -13.356 -3.743 12.808 1.00 64.22 H new ATOM 0 HG3 MET A 1 -14.117 -4.241 11.309 1.00 64.22 H new ATOM 0 HE1 MET A 1 -11.158 -2.052 10.004 1.00 1.51 H new ATOM 0 HE2 MET A 1 -11.046 -2.813 11.608 1.00 1.51 H new ATOM 0 HE3 MET A 1 -11.805 -3.690 10.258 1.00 1.51 H new ATOM 20 N ASP A 2 -16.496 -3.364 9.218 1.00 13.22 N ATOM 21 CA ASP A 2 -16.640 -4.333 8.128 1.00 3.21 C ATOM 22 C ASP A 2 -15.549 -5.413 8.189 1.00 21.02 C ATOM 23 O ASP A 2 -14.356 -5.100 8.245 1.00 14.54 O ATOM 24 CB ASP A 2 -16.562 -3.622 6.775 1.00 43.44 C ATOM 25 CG ASP A 2 -17.634 -2.564 6.602 1.00 31.13 C ATOM 26 OD1 ASP A 2 -17.455 -1.439 7.112 1.00 22.24 O ATOM 27 OD2 ASP A 2 -18.658 -2.849 5.944 1.00 62.12 O ATOM 0 H ASP A 2 -16.290 -2.414 8.909 1.00 13.22 H new ATOM 0 HA ASP A 2 -17.613 -4.812 8.242 1.00 3.21 H new ATOM 0 HB2 ASP A 2 -15.581 -3.159 6.670 1.00 43.44 H new ATOM 0 HB3 ASP A 2 -16.654 -4.359 5.977 1.00 43.44 H new ATOM 32 N GLN A 3 -15.955 -6.681 8.159 1.00 45.33 N ATOM 33 CA GLN A 3 -14.998 -7.790 8.120 1.00 13.23 C ATOM 34 C GLN A 3 -14.110 -7.707 6.869 1.00 40.23 C ATOM 35 O GLN A 3 -12.986 -8.204 6.865 1.00 52.14 O ATOM 36 CB GLN A 3 -15.723 -9.140 8.181 1.00 22.44 C ATOM 37 CG GLN A 3 -16.472 -9.371 9.488 1.00 52.24 C ATOM 38 CD GLN A 3 -15.581 -9.227 10.713 1.00 1.12 C ATOM 39 OE1 GLN A 3 -15.456 -8.151 11.287 1.00 63.31 O ATOM 40 NE2 GLN A 3 -14.944 -10.305 11.119 1.00 43.22 N ATOM 0 H GLN A 3 -16.934 -6.967 8.161 1.00 45.33 H new ATOM 0 HA GLN A 3 -14.356 -7.709 8.997 1.00 13.23 H new ATOM 0 HB2 GLN A 3 -16.428 -9.202 7.352 1.00 22.44 H new ATOM 0 HB3 GLN A 3 -14.996 -9.940 8.042 1.00 22.44 H new ATOM 0 HG2 GLN A 3 -17.296 -8.662 9.559 1.00 52.24 H new ATOM 0 HG3 GLN A 3 -16.910 -10.369 9.479 1.00 52.24 H new ATOM 0 HE21 GLN A 3 -15.067 -11.187 10.622 1.00 43.22 H new ATOM 0 HE22 GLN A 3 -14.328 -10.258 11.930 1.00 43.22 H new ATOM 49 N PHE A 4 -14.627 -7.069 5.815 1.00 74.44 N ATOM 50 CA PHE A 4 -13.826 -6.745 4.630 1.00 53.41 C ATOM 51 C PHE A 4 -12.562 -5.974 5.035 1.00 22.24 C ATOM 52 O PHE A 4 -11.445 -6.335 4.656 1.00 4.05 O ATOM 53 CB PHE A 4 -14.662 -5.912 3.643 1.00 61.11 C ATOM 54 CG PHE A 4 -13.869 -5.333 2.494 1.00 34.22 C ATOM 55 CD1 PHE A 4 -13.478 -6.130 1.429 1.00 32.45 C ATOM 56 CD2 PHE A 4 -13.516 -3.989 2.482 1.00 12.13 C ATOM 57 CE1 PHE A 4 -12.754 -5.602 0.378 1.00 23.14 C ATOM 58 CE2 PHE A 4 -12.791 -3.456 1.434 1.00 34.44 C ATOM 59 CZ PHE A 4 -12.410 -4.264 0.380 1.00 31.10 C ATOM 0 H PHE A 4 -15.599 -6.766 5.758 1.00 74.44 H new ATOM 0 HA PHE A 4 -13.526 -7.674 4.144 1.00 53.41 H new ATOM 0 HB2 PHE A 4 -15.459 -6.538 3.241 1.00 61.11 H new ATOM 0 HB3 PHE A 4 -15.140 -5.097 4.187 1.00 61.11 H new ATOM 0 HD1 PHE A 4 -13.743 -7.177 1.421 1.00 32.45 H new ATOM 0 HD2 PHE A 4 -13.812 -3.353 3.303 1.00 12.13 H new ATOM 0 HE1 PHE A 4 -12.457 -6.235 -0.445 1.00 23.14 H new ATOM 0 HE2 PHE A 4 -12.523 -2.410 1.438 1.00 34.44 H new ATOM 0 HZ PHE A 4 -11.844 -3.850 -0.441 1.00 31.10 H new ATOM 69 N LEU A 5 -12.755 -4.921 5.825 1.00 72.33 N ATOM 70 CA LEU A 5 -11.644 -4.116 6.335 1.00 60.12 C ATOM 71 C LEU A 5 -10.723 -4.961 7.226 1.00 71.44 C ATOM 72 O LEU A 5 -9.501 -4.920 7.098 1.00 72.24 O ATOM 73 CB LEU A 5 -12.188 -2.920 7.128 1.00 13.33 C ATOM 74 CG LEU A 5 -13.182 -2.024 6.370 1.00 33.31 C ATOM 75 CD1 LEU A 5 -13.746 -0.940 7.289 1.00 61.12 C ATOM 76 CD2 LEU A 5 -12.522 -1.407 5.140 1.00 74.43 C ATOM 0 H LEU A 5 -13.675 -4.602 6.128 1.00 72.33 H new ATOM 0 HA LEU A 5 -11.063 -3.753 5.488 1.00 60.12 H new ATOM 0 HB2 LEU A 5 -12.675 -3.294 8.028 1.00 13.33 H new ATOM 0 HB3 LEU A 5 -11.347 -2.307 7.452 1.00 13.33 H new ATOM 0 HG LEU A 5 -14.012 -2.645 6.033 1.00 33.31 H new ATOM 0 HD11 LEU A 5 -14.447 -0.318 6.731 1.00 61.12 H new ATOM 0 HD12 LEU A 5 -14.263 -1.407 8.128 1.00 61.12 H new ATOM 0 HD13 LEU A 5 -12.931 -0.321 7.664 1.00 61.12 H new ATOM 0 HD21 LEU A 5 -13.242 -0.777 4.618 1.00 74.43 H new ATOM 0 HD22 LEU A 5 -11.669 -0.803 5.449 1.00 74.43 H new ATOM 0 HD23 LEU A 5 -12.183 -2.200 4.473 1.00 74.43 H new ATOM 88 N VAL A 6 -11.329 -5.736 8.124 1.00 13.22 N ATOM 89 CA VAL A 6 -10.579 -6.610 9.031 1.00 65.44 C ATOM 90 C VAL A 6 -9.672 -7.589 8.262 1.00 45.32 C ATOM 91 O VAL A 6 -8.512 -7.791 8.621 1.00 34.13 O ATOM 92 CB VAL A 6 -11.539 -7.415 9.948 1.00 21.32 C ATOM 93 CG1 VAL A 6 -10.763 -8.288 10.932 1.00 33.32 C ATOM 94 CG2 VAL A 6 -12.492 -6.475 10.687 1.00 24.32 C ATOM 0 H VAL A 6 -12.341 -5.778 8.245 1.00 13.22 H new ATOM 0 HA VAL A 6 -9.951 -5.963 9.643 1.00 65.44 H new ATOM 0 HB VAL A 6 -12.131 -8.076 9.316 1.00 21.32 H new ATOM 0 HG11 VAL A 6 -11.463 -8.839 11.560 1.00 33.32 H new ATOM 0 HG12 VAL A 6 -10.139 -8.991 10.381 1.00 33.32 H new ATOM 0 HG13 VAL A 6 -10.132 -7.657 11.559 1.00 33.32 H new ATOM 0 HG21 VAL A 6 -13.157 -7.058 11.324 1.00 24.32 H new ATOM 0 HG22 VAL A 6 -11.916 -5.782 11.301 1.00 24.32 H new ATOM 0 HG23 VAL A 6 -13.083 -5.914 9.963 1.00 24.32 H new ATOM 104 N GLN A 7 -10.206 -8.181 7.193 1.00 11.31 N ATOM 105 CA GLN A 7 -9.458 -9.158 6.392 1.00 11.44 C ATOM 106 C GLN A 7 -8.295 -8.508 5.629 1.00 30.34 C ATOM 107 O GLN A 7 -7.156 -8.971 5.720 1.00 63.31 O ATOM 108 CB GLN A 7 -10.397 -9.876 5.411 1.00 62.20 C ATOM 109 CG GLN A 7 -11.444 -10.754 6.089 1.00 43.33 C ATOM 110 CD GLN A 7 -10.829 -11.835 6.964 1.00 51.32 C ATOM 111 OE1 GLN A 7 -10.541 -12.932 6.503 1.00 3.45 O ATOM 112 NE2 GLN A 7 -10.623 -11.537 8.233 1.00 25.21 N ATOM 0 H GLN A 7 -11.153 -8.003 6.860 1.00 11.31 H new ATOM 0 HA GLN A 7 -9.033 -9.886 7.083 1.00 11.44 H new ATOM 0 HB2 GLN A 7 -10.904 -9.131 4.797 1.00 62.20 H new ATOM 0 HB3 GLN A 7 -9.801 -10.492 4.738 1.00 62.20 H new ATOM 0 HG2 GLN A 7 -12.097 -10.129 6.697 1.00 43.33 H new ATOM 0 HG3 GLN A 7 -12.068 -11.221 5.327 1.00 43.33 H new ATOM 0 HE21 GLN A 7 -10.874 -10.614 8.587 1.00 25.21 H new ATOM 0 HE22 GLN A 7 -10.213 -12.230 8.859 1.00 25.21 H new ATOM 121 N ILE A 8 -8.574 -7.437 4.881 1.00 32.23 N ATOM 122 CA ILE A 8 -7.527 -6.762 4.104 1.00 31.25 C ATOM 123 C ILE A 8 -6.397 -6.246 5.016 1.00 5.43 C ATOM 124 O ILE A 8 -5.216 -6.391 4.695 1.00 73.12 O ATOM 125 CB ILE A 8 -8.091 -5.601 3.237 1.00 42.21 C ATOM 126 CG1 ILE A 8 -8.748 -4.523 4.115 1.00 24.21 C ATOM 127 CG2 ILE A 8 -9.086 -6.139 2.209 1.00 62.20 C ATOM 128 CD1 ILE A 8 -9.299 -3.342 3.338 1.00 43.42 C ATOM 0 H ILE A 8 -9.502 -7.022 4.796 1.00 32.23 H new ATOM 0 HA ILE A 8 -7.115 -7.510 3.426 1.00 31.25 H new ATOM 0 HB ILE A 8 -7.259 -5.138 2.707 1.00 42.21 H new ATOM 0 HG12 ILE A 8 -9.557 -4.978 4.686 1.00 24.21 H new ATOM 0 HG13 ILE A 8 -8.015 -4.160 4.835 1.00 24.21 H new ATOM 0 HG21 ILE A 8 -9.472 -5.314 1.610 1.00 62.20 H new ATOM 0 HG22 ILE A 8 -8.585 -6.857 1.559 1.00 62.20 H new ATOM 0 HG23 ILE A 8 -9.911 -6.630 2.724 1.00 62.20 H new ATOM 0 HD11 ILE A 8 -9.745 -2.628 4.030 1.00 43.42 H new ATOM 0 HD12 ILE A 8 -8.491 -2.859 2.789 1.00 43.42 H new ATOM 0 HD13 ILE A 8 -10.057 -3.690 2.637 1.00 43.42 H new ATOM 140 N PHE A 9 -6.761 -5.675 6.168 1.00 42.32 N ATOM 141 CA PHE A 9 -5.765 -5.232 7.153 1.00 45.50 C ATOM 142 C PHE A 9 -4.972 -6.430 7.701 1.00 12.10 C ATOM 143 O PHE A 9 -3.741 -6.383 7.817 1.00 30.21 O ATOM 144 CB PHE A 9 -6.444 -4.484 8.313 1.00 21.23 C ATOM 145 CG PHE A 9 -7.189 -3.228 7.910 1.00 21.34 C ATOM 146 CD1 PHE A 9 -6.999 -2.641 6.666 1.00 21.00 C ATOM 147 CD2 PHE A 9 -8.082 -2.633 8.792 1.00 32.04 C ATOM 148 CE1 PHE A 9 -7.683 -1.492 6.311 1.00 23.23 C ATOM 149 CE2 PHE A 9 -8.767 -1.485 8.441 1.00 51.11 C ATOM 150 CZ PHE A 9 -8.566 -0.914 7.201 1.00 15.31 C ATOM 0 H PHE A 9 -7.729 -5.509 6.442 1.00 42.32 H new ATOM 0 HA PHE A 9 -5.076 -4.553 6.651 1.00 45.50 H new ATOM 0 HB2 PHE A 9 -7.142 -5.162 8.804 1.00 21.23 H new ATOM 0 HB3 PHE A 9 -5.685 -4.219 9.049 1.00 21.23 H new ATOM 0 HD1 PHE A 9 -6.308 -3.087 5.966 1.00 21.00 H new ATOM 0 HD2 PHE A 9 -8.243 -3.073 9.765 1.00 32.04 H new ATOM 0 HE1 PHE A 9 -7.526 -1.048 5.339 1.00 23.23 H new ATOM 0 HE2 PHE A 9 -9.459 -1.035 9.137 1.00 51.11 H new ATOM 0 HZ PHE A 9 -9.099 -0.016 6.927 1.00 15.31 H new ATOM 160 N ALA A 10 -5.691 -7.509 8.020 1.00 30.23 N ATOM 161 CA ALA A 10 -5.075 -8.739 8.530 1.00 22.21 C ATOM 162 C ALA A 10 -4.013 -9.286 7.568 1.00 33.12 C ATOM 163 O ALA A 10 -3.034 -9.886 7.998 1.00 73.03 O ATOM 164 CB ALA A 10 -6.144 -9.797 8.794 1.00 2.32 C ATOM 0 H ALA A 10 -6.706 -7.557 7.934 1.00 30.23 H new ATOM 0 HA ALA A 10 -4.576 -8.492 9.467 1.00 22.21 H new ATOM 0 HB1 ALA A 10 -5.673 -10.704 9.172 1.00 2.32 H new ATOM 0 HB2 ALA A 10 -6.853 -9.422 9.532 1.00 2.32 H new ATOM 0 HB3 ALA A 10 -6.671 -10.021 7.866 1.00 2.32 H new ATOM 170 N VAL A 11 -4.215 -9.081 6.268 1.00 24.42 N ATOM 171 CA VAL A 11 -3.232 -9.492 5.257 1.00 51.01 C ATOM 172 C VAL A 11 -1.999 -8.572 5.263 1.00 60.43 C ATOM 173 O VAL A 11 -0.858 -9.040 5.267 1.00 25.44 O ATOM 174 CB VAL A 11 -3.851 -9.499 3.834 1.00 44.24 C ATOM 175 CG1 VAL A 11 -2.814 -9.901 2.783 1.00 24.14 C ATOM 176 CG2 VAL A 11 -5.064 -10.428 3.778 1.00 34.52 C ATOM 0 H VAL A 11 -5.048 -8.634 5.886 1.00 24.42 H new ATOM 0 HA VAL A 11 -2.923 -10.504 5.518 1.00 51.01 H new ATOM 0 HB VAL A 11 -4.182 -8.486 3.607 1.00 44.24 H new ATOM 0 HG11 VAL A 11 -3.276 -9.897 1.796 1.00 24.14 H new ATOM 0 HG12 VAL A 11 -1.986 -9.192 2.799 1.00 24.14 H new ATOM 0 HG13 VAL A 11 -2.440 -10.901 3.005 1.00 24.14 H new ATOM 0 HG21 VAL A 11 -5.483 -10.419 2.772 1.00 34.52 H new ATOM 0 HG22 VAL A 11 -4.758 -11.442 4.034 1.00 34.52 H new ATOM 0 HG23 VAL A 11 -5.817 -10.086 4.488 1.00 34.52 H new ATOM 186 N ILE A 12 -2.242 -7.263 5.282 1.00 54.11 N ATOM 187 CA ILE A 12 -1.174 -6.256 5.194 1.00 5.12 C ATOM 188 C ILE A 12 -0.134 -6.384 6.326 1.00 62.05 C ATOM 189 O ILE A 12 1.047 -6.096 6.124 1.00 22.21 O ATOM 190 CB ILE A 12 -1.774 -4.826 5.195 1.00 40.15 C ATOM 191 CG1 ILE A 12 -2.744 -4.663 4.014 1.00 53.32 C ATOM 192 CG2 ILE A 12 -0.671 -3.766 5.139 1.00 73.20 C ATOM 193 CD1 ILE A 12 -3.510 -3.359 4.022 1.00 62.15 C ATOM 0 H ILE A 12 -3.179 -6.867 5.358 1.00 54.11 H new ATOM 0 HA ILE A 12 -0.654 -6.439 4.253 1.00 5.12 H new ATOM 0 HB ILE A 12 -2.324 -4.683 6.125 1.00 40.15 H new ATOM 0 HG12 ILE A 12 -2.182 -4.737 3.083 1.00 53.32 H new ATOM 0 HG13 ILE A 12 -3.454 -5.490 4.024 1.00 53.32 H new ATOM 0 HG21 ILE A 12 -1.120 -2.773 5.141 1.00 73.20 H new ATOM 0 HG22 ILE A 12 -0.020 -3.872 6.007 1.00 73.20 H new ATOM 0 HG23 ILE A 12 -0.086 -3.898 4.229 1.00 73.20 H new ATOM 0 HD11 ILE A 12 -4.172 -3.321 3.157 1.00 62.15 H new ATOM 0 HD12 ILE A 12 -4.101 -3.290 4.935 1.00 62.15 H new ATOM 0 HD13 ILE A 12 -2.809 -2.525 3.980 1.00 62.15 H new ATOM 205 N HIS A 13 -0.564 -6.833 7.509 1.00 51.23 N ATOM 206 CA HIS A 13 0.361 -7.024 8.643 1.00 73.13 C ATOM 207 C HIS A 13 1.477 -8.053 8.336 1.00 64.42 C ATOM 208 O HIS A 13 2.442 -8.169 9.092 1.00 3.22 O ATOM 209 CB HIS A 13 -0.403 -7.449 9.910 1.00 72.02 C ATOM 210 CG HIS A 13 -1.154 -6.328 10.572 1.00 75.42 C ATOM 211 ND1 HIS A 13 -0.496 -5.325 11.247 1.00 60.51 N ATOM 212 CD2 HIS A 13 -2.487 -6.098 10.640 1.00 75.24 C ATOM 213 CE1 HIS A 13 -1.434 -4.515 11.705 1.00 43.12 C ATOM 214 NE2 HIS A 13 -2.656 -4.943 11.364 1.00 73.42 N ATOM 0 H HIS A 13 -1.535 -7.070 7.711 1.00 51.23 H new ATOM 0 HA HIS A 13 0.840 -6.060 8.814 1.00 73.13 H new ATOM 0 HB2 HIS A 13 -1.106 -8.241 9.650 1.00 72.02 H new ATOM 0 HB3 HIS A 13 0.304 -7.872 10.624 1.00 72.02 H new ATOM 0 HD2 HIS A 13 -3.268 -6.706 10.208 1.00 75.24 H new ATOM 0 HE1 HIS A 13 -1.240 -3.622 12.281 1.00 43.12 H new ATOM 0 HE2 HIS A 13 -3.543 -4.497 11.597 1.00 73.42 H new ATOM 222 N GLN A 14 1.344 -8.791 7.232 1.00 71.53 N ATOM 223 CA GLN A 14 2.361 -9.778 6.827 1.00 72.12 C ATOM 224 C GLN A 14 3.407 -9.177 5.870 1.00 4.41 C ATOM 225 O GLN A 14 4.345 -9.866 5.456 1.00 4.44 O ATOM 226 CB GLN A 14 1.702 -11.005 6.167 1.00 24.01 C ATOM 227 CG GLN A 14 1.224 -12.071 7.152 1.00 34.45 C ATOM 228 CD GLN A 14 0.203 -11.567 8.153 1.00 32.32 C ATOM 229 OE1 GLN A 14 0.162 -12.011 9.294 1.00 21.44 O ATOM 230 NE2 GLN A 14 -0.648 -10.661 7.734 1.00 60.42 N ATOM 0 H GLN A 14 0.546 -8.728 6.600 1.00 71.53 H new ATOM 0 HA GLN A 14 2.875 -10.088 7.737 1.00 72.12 H new ATOM 0 HB2 GLN A 14 0.852 -10.670 5.572 1.00 24.01 H new ATOM 0 HB3 GLN A 14 2.414 -11.458 5.478 1.00 24.01 H new ATOM 0 HG2 GLN A 14 0.792 -12.901 6.593 1.00 34.45 H new ATOM 0 HG3 GLN A 14 2.085 -12.465 7.692 1.00 34.45 H new ATOM 0 HE21 GLN A 14 -0.590 -10.310 6.778 1.00 60.42 H new ATOM 0 HE22 GLN A 14 -1.368 -10.308 8.364 1.00 60.42 H new ATOM 239 N ILE A 15 3.244 -7.905 5.505 1.00 61.33 N ATOM 240 CA ILE A 15 4.205 -7.225 4.629 1.00 64.02 C ATOM 241 C ILE A 15 5.380 -6.658 5.450 1.00 55.43 C ATOM 242 O ILE A 15 5.198 -5.734 6.249 1.00 61.15 O ATOM 243 CB ILE A 15 3.537 -6.077 3.824 1.00 23.50 C ATOM 244 CG1 ILE A 15 2.301 -6.596 3.067 1.00 63.22 C ATOM 245 CG2 ILE A 15 4.540 -5.452 2.850 1.00 13.51 C ATOM 246 CD1 ILE A 15 1.555 -5.524 2.298 1.00 62.44 C ATOM 0 H ILE A 15 2.459 -7.324 5.800 1.00 61.33 H new ATOM 0 HA ILE A 15 4.577 -7.968 3.924 1.00 64.02 H new ATOM 0 HB ILE A 15 3.212 -5.308 4.525 1.00 23.50 H new ATOM 0 HG12 ILE A 15 2.614 -7.376 2.373 1.00 63.22 H new ATOM 0 HG13 ILE A 15 1.619 -7.059 3.780 1.00 63.22 H new ATOM 0 HG21 ILE A 15 4.055 -4.649 2.294 1.00 13.51 H new ATOM 0 HG22 ILE A 15 5.385 -5.048 3.407 1.00 13.51 H new ATOM 0 HG23 ILE A 15 4.894 -6.213 2.154 1.00 13.51 H new ATOM 0 HD11 ILE A 15 0.698 -5.969 1.792 1.00 62.44 H new ATOM 0 HD12 ILE A 15 1.210 -4.755 2.989 1.00 62.44 H new ATOM 0 HD13 ILE A 15 2.220 -5.077 1.559 1.00 62.44 H new ATOM 258 N PRO A 16 6.600 -7.208 5.272 1.00 51.10 N ATOM 259 CA PRO A 16 7.783 -6.777 6.041 1.00 30.34 C ATOM 260 C PRO A 16 8.314 -5.392 5.629 1.00 21.53 C ATOM 261 O PRO A 16 7.966 -4.858 4.572 1.00 23.30 O ATOM 262 CB PRO A 16 8.819 -7.865 5.724 1.00 74.22 C ATOM 263 CG PRO A 16 8.434 -8.363 4.373 1.00 73.13 C ATOM 264 CD PRO A 16 6.929 -8.288 4.319 1.00 45.12 C ATOM 0 HA PRO A 16 7.551 -6.669 7.101 1.00 30.34 H new ATOM 0 HB2 PRO A 16 9.832 -7.461 5.725 1.00 74.22 H new ATOM 0 HB3 PRO A 16 8.794 -8.665 6.464 1.00 74.22 H new ATOM 0 HG2 PRO A 16 8.884 -7.754 3.589 1.00 73.13 H new ATOM 0 HG3 PRO A 16 8.780 -9.385 4.220 1.00 73.13 H new ATOM 0 HD2 PRO A 16 6.575 -8.058 3.314 1.00 45.12 H new ATOM 0 HD3 PRO A 16 6.470 -9.233 4.610 1.00 45.12 H new ATOM 272 N LYS A 17 9.174 -4.825 6.473 1.00 14.14 N ATOM 273 CA LYS A 17 9.764 -3.508 6.226 1.00 2.33 C ATOM 274 C LYS A 17 10.570 -3.471 4.911 1.00 52.21 C ATOM 275 O LYS A 17 11.372 -4.366 4.630 1.00 71.22 O ATOM 276 CB LYS A 17 10.655 -3.108 7.411 1.00 72.11 C ATOM 277 CG LYS A 17 11.310 -1.740 7.255 1.00 71.24 C ATOM 278 CD LYS A 17 11.973 -1.277 8.543 1.00 52.41 C ATOM 279 CE LYS A 17 12.631 0.086 8.380 1.00 64.23 C ATOM 280 NZ LYS A 17 13.724 0.062 7.372 1.00 53.24 N ATOM 0 H LYS A 17 9.481 -5.261 7.342 1.00 14.14 H new ATOM 0 HA LYS A 17 8.949 -2.792 6.123 1.00 2.33 H new ATOM 0 HB2 LYS A 17 10.056 -3.112 8.321 1.00 72.11 H new ATOM 0 HB3 LYS A 17 11.433 -3.861 7.539 1.00 72.11 H new ATOM 0 HG2 LYS A 17 12.054 -1.782 6.459 1.00 71.24 H new ATOM 0 HG3 LYS A 17 10.559 -1.011 6.951 1.00 71.24 H new ATOM 0 HD2 LYS A 17 11.229 -1.229 9.338 1.00 52.41 H new ATOM 0 HD3 LYS A 17 12.721 -2.008 8.850 1.00 52.41 H new ATOM 0 HE2 LYS A 17 11.880 0.818 8.082 1.00 64.23 H new ATOM 0 HE3 LYS A 17 13.031 0.412 9.340 1.00 64.23 H new ATOM 0 HZ1 LYS A 17 14.275 0.942 7.436 1.00 53.24 H new ATOM 0 HZ2 LYS A 17 14.347 -0.750 7.555 1.00 53.24 H new ATOM 0 HZ3 LYS A 17 13.316 -0.023 6.419 1.00 53.24 H new ATOM 294 N GLY A 18 10.345 -2.427 4.110 1.00 73.22 N ATOM 295 CA GLY A 18 11.044 -2.281 2.831 1.00 24.45 C ATOM 296 C GLY A 18 10.311 -2.908 1.644 1.00 70.43 C ATOM 297 O GLY A 18 10.722 -2.735 0.497 1.00 3.14 O ATOM 0 H GLY A 18 9.689 -1.675 4.322 1.00 73.22 H new ATOM 0 HA2 GLY A 18 11.196 -1.220 2.631 1.00 24.45 H new ATOM 0 HA3 GLY A 18 12.032 -2.734 2.915 1.00 24.45 H new ATOM 301 N LYS A 19 9.232 -3.642 1.910 1.00 71.43 N ATOM 302 CA LYS A 19 8.454 -4.292 0.846 1.00 2.52 C ATOM 303 C LYS A 19 7.092 -3.609 0.627 1.00 54.53 C ATOM 304 O LYS A 19 6.547 -2.966 1.530 1.00 4.35 O ATOM 305 CB LYS A 19 8.248 -5.777 1.183 1.00 41.34 C ATOM 306 CG LYS A 19 9.519 -6.616 1.086 1.00 12.13 C ATOM 307 CD LYS A 19 10.041 -6.673 -0.348 1.00 74.50 C ATOM 308 CE LYS A 19 11.267 -7.571 -0.483 1.00 23.43 C ATOM 309 NZ LYS A 19 12.448 -7.008 0.222 1.00 20.32 N ATOM 0 H LYS A 19 8.873 -3.804 2.851 1.00 71.43 H new ATOM 0 HA LYS A 19 9.020 -4.199 -0.081 1.00 2.52 H new ATOM 0 HB2 LYS A 19 7.847 -5.858 2.194 1.00 41.34 H new ATOM 0 HB3 LYS A 19 7.498 -6.192 0.509 1.00 41.34 H new ATOM 0 HG2 LYS A 19 10.285 -6.195 1.737 1.00 12.13 H new ATOM 0 HG3 LYS A 19 9.318 -7.626 1.442 1.00 12.13 H new ATOM 0 HD2 LYS A 19 9.252 -7.038 -1.005 1.00 74.50 H new ATOM 0 HD3 LYS A 19 10.293 -5.666 -0.681 1.00 74.50 H new ATOM 0 HE2 LYS A 19 11.040 -8.558 -0.080 1.00 23.43 H new ATOM 0 HE3 LYS A 19 11.504 -7.705 -1.538 1.00 23.43 H new ATOM 0 HZ1 LYS A 19 13.272 -7.622 0.063 1.00 20.32 H new ATOM 0 HZ2 LYS A 19 12.650 -6.056 -0.145 1.00 20.32 H new ATOM 0 HZ3 LYS A 19 12.249 -6.951 1.241 1.00 20.32 H new ATOM 323 N VAL A 20 6.551 -3.759 -0.584 1.00 22.41 N ATOM 324 CA VAL A 20 5.244 -3.196 -0.940 1.00 74.44 C ATOM 325 C VAL A 20 4.373 -4.222 -1.684 1.00 4.25 C ATOM 326 O VAL A 20 4.876 -5.196 -2.248 1.00 24.22 O ATOM 327 CB VAL A 20 5.378 -1.925 -1.828 1.00 22.34 C ATOM 328 CG1 VAL A 20 6.183 -0.839 -1.116 1.00 51.34 C ATOM 329 CG2 VAL A 20 5.999 -2.262 -3.185 1.00 21.01 C ATOM 0 H VAL A 20 7.002 -4.271 -1.342 1.00 22.41 H new ATOM 0 HA VAL A 20 4.767 -2.924 0.002 1.00 74.44 H new ATOM 0 HB VAL A 20 4.374 -1.538 -2.005 1.00 22.34 H new ATOM 0 HG11 VAL A 20 6.261 0.037 -1.760 1.00 51.34 H new ATOM 0 HG12 VAL A 20 5.682 -0.564 -0.188 1.00 51.34 H new ATOM 0 HG13 VAL A 20 7.182 -1.214 -0.892 1.00 51.34 H new ATOM 0 HG21 VAL A 20 6.080 -1.355 -3.783 1.00 21.01 H new ATOM 0 HG22 VAL A 20 6.991 -2.688 -3.035 1.00 21.01 H new ATOM 0 HG23 VAL A 20 5.369 -2.984 -3.704 1.00 21.01 H new ATOM 339 N SER A 21 3.063 -3.997 -1.680 1.00 3.41 N ATOM 340 CA SER A 21 2.115 -4.850 -2.416 1.00 30.31 C ATOM 341 C SER A 21 1.032 -4.001 -3.094 1.00 31.21 C ATOM 342 O SER A 21 0.974 -2.784 -2.911 1.00 23.00 O ATOM 343 CB SER A 21 1.457 -5.875 -1.478 1.00 33.35 C ATOM 344 OG SER A 21 0.553 -6.716 -2.182 1.00 32.03 O ATOM 0 H SER A 21 2.624 -3.228 -1.174 1.00 3.41 H new ATOM 0 HA SER A 21 2.677 -5.384 -3.182 1.00 30.31 H new ATOM 0 HB2 SER A 21 2.227 -6.483 -1.003 1.00 33.35 H new ATOM 0 HB3 SER A 21 0.926 -5.354 -0.682 1.00 33.35 H new ATOM 0 HG SER A 21 0.152 -7.358 -1.560 1.00 32.03 H new ATOM 350 N THR A 22 0.168 -4.644 -3.872 1.00 55.24 N ATOM 351 CA THR A 22 -0.907 -3.937 -4.585 1.00 51.33 C ATOM 352 C THR A 22 -2.283 -4.253 -3.986 1.00 12.25 C ATOM 353 O THR A 22 -2.480 -5.307 -3.375 1.00 54.52 O ATOM 354 CB THR A 22 -0.931 -4.298 -6.091 1.00 52.22 C ATOM 355 OG1 THR A 22 -1.240 -5.691 -6.264 1.00 53.45 O ATOM 356 CG2 THR A 22 0.409 -3.987 -6.752 1.00 64.22 C ATOM 0 H THR A 22 0.185 -5.652 -4.029 1.00 55.24 H new ATOM 0 HA THR A 22 -0.697 -2.873 -4.473 1.00 51.33 H new ATOM 0 HB THR A 22 -1.702 -3.693 -6.567 1.00 52.22 H new ATOM 0 HG1 THR A 22 -0.436 -6.227 -6.099 1.00 53.45 H new ATOM 0 HG21 THR A 22 0.363 -4.250 -7.809 1.00 64.22 H new ATOM 0 HG22 THR A 22 0.626 -2.923 -6.652 1.00 64.22 H new ATOM 0 HG23 THR A 22 1.196 -4.565 -6.268 1.00 64.22 H new ATOM 364 N TYR A 23 -3.236 -3.331 -4.163 1.00 22.20 N ATOM 365 CA TYR A 23 -4.614 -3.540 -3.688 1.00 20.14 C ATOM 366 C TYR A 23 -5.192 -4.873 -4.203 1.00 2.44 C ATOM 367 O TYR A 23 -5.960 -5.538 -3.506 1.00 24.31 O ATOM 368 CB TYR A 23 -5.525 -2.383 -4.128 1.00 13.41 C ATOM 369 CG TYR A 23 -5.102 -1.016 -3.619 1.00 51.51 C ATOM 370 CD1 TYR A 23 -4.928 -0.782 -2.260 1.00 33.03 C ATOM 371 CD2 TYR A 23 -4.874 0.040 -4.497 1.00 73.24 C ATOM 372 CE1 TYR A 23 -4.542 0.462 -1.793 1.00 63.12 C ATOM 373 CE2 TYR A 23 -4.487 1.282 -4.036 1.00 50.41 C ATOM 374 CZ TYR A 23 -4.322 1.489 -2.685 1.00 75.34 C ATOM 375 OH TYR A 23 -3.934 2.730 -2.222 1.00 64.25 O ATOM 0 H TYR A 23 -3.083 -2.437 -4.629 1.00 22.20 H new ATOM 0 HA TYR A 23 -4.577 -3.575 -2.599 1.00 20.14 H new ATOM 0 HB2 TYR A 23 -5.556 -2.357 -5.217 1.00 13.41 H new ATOM 0 HB3 TYR A 23 -6.539 -2.586 -3.785 1.00 13.41 H new ATOM 0 HD1 TYR A 23 -5.097 -1.584 -1.557 1.00 33.03 H new ATOM 0 HD2 TYR A 23 -5.002 -0.115 -5.558 1.00 73.24 H new ATOM 0 HE1 TYR A 23 -4.414 0.627 -0.733 1.00 63.12 H new ATOM 0 HE2 TYR A 23 -4.314 2.089 -4.733 1.00 50.41 H new ATOM 0 HH TYR A 23 -3.380 3.173 -2.898 1.00 64.25 H new ATOM 385 N GLY A 24 -4.811 -5.253 -5.425 1.00 21.13 N ATOM 386 CA GLY A 24 -5.277 -6.507 -6.010 1.00 63.22 C ATOM 387 C GLY A 24 -4.796 -7.734 -5.242 1.00 33.41 C ATOM 388 O GLY A 24 -5.598 -8.596 -4.871 1.00 32.15 O ATOM 0 H GLY A 24 -4.186 -4.713 -6.023 1.00 21.13 H new ATOM 0 HA2 GLY A 24 -6.367 -6.506 -6.038 1.00 63.22 H new ATOM 0 HA3 GLY A 24 -4.931 -6.572 -7.042 1.00 63.22 H new ATOM 392 N GLU A 25 -3.486 -7.805 -4.993 1.00 34.51 N ATOM 393 CA GLU A 25 -2.893 -8.920 -4.240 1.00 21.14 C ATOM 394 C GLU A 25 -3.502 -9.029 -2.835 1.00 0.15 C ATOM 395 O GLU A 25 -3.907 -10.110 -2.404 1.00 32.23 O ATOM 396 CB GLU A 25 -1.366 -8.748 -4.154 1.00 1.34 C ATOM 397 CG GLU A 25 -0.667 -8.900 -5.501 1.00 13.32 C ATOM 398 CD GLU A 25 0.812 -8.536 -5.466 1.00 11.40 C ATOM 399 OE1 GLU A 25 1.650 -9.430 -5.211 1.00 73.35 O ATOM 400 OE2 GLU A 25 1.146 -7.362 -5.726 1.00 24.03 O ATOM 0 H GLU A 25 -2.812 -7.104 -5.301 1.00 34.51 H new ATOM 0 HA GLU A 25 -3.116 -9.845 -4.771 1.00 21.14 H new ATOM 0 HB2 GLU A 25 -1.140 -7.764 -3.744 1.00 1.34 H new ATOM 0 HB3 GLU A 25 -0.963 -9.483 -3.458 1.00 1.34 H new ATOM 0 HG2 GLU A 25 -0.771 -9.931 -5.840 1.00 13.32 H new ATOM 0 HG3 GLU A 25 -1.170 -8.270 -6.235 1.00 13.32 H new ATOM 407 N ILE A 26 -3.583 -7.899 -2.135 1.00 31.32 N ATOM 408 CA ILE A 26 -4.170 -7.860 -0.789 1.00 20.50 C ATOM 409 C ILE A 26 -5.639 -8.323 -0.798 1.00 11.25 C ATOM 410 O ILE A 26 -6.044 -9.154 0.020 1.00 10.22 O ATOM 411 CB ILE A 26 -4.088 -6.431 -0.181 1.00 23.02 C ATOM 412 CG1 ILE A 26 -2.622 -5.963 -0.102 1.00 22.24 C ATOM 413 CG2 ILE A 26 -4.747 -6.381 1.201 1.00 1.11 C ATOM 414 CD1 ILE A 26 -1.737 -6.839 0.764 1.00 70.15 C ATOM 0 H ILE A 26 -3.251 -6.996 -2.474 1.00 31.32 H new ATOM 0 HA ILE A 26 -3.589 -8.546 -0.173 1.00 20.50 H new ATOM 0 HB ILE A 26 -4.634 -5.752 -0.836 1.00 23.02 H new ATOM 0 HG12 ILE A 26 -2.208 -5.930 -1.110 1.00 22.24 H new ATOM 0 HG13 ILE A 26 -2.598 -4.945 0.286 1.00 22.24 H new ATOM 0 HG21 ILE A 26 -4.675 -5.370 1.602 1.00 1.11 H new ATOM 0 HG22 ILE A 26 -5.796 -6.663 1.114 1.00 1.11 H new ATOM 0 HG23 ILE A 26 -4.239 -7.074 1.871 1.00 1.11 H new ATOM 0 HD11 ILE A 26 -0.722 -6.441 0.767 1.00 70.15 H new ATOM 0 HD12 ILE A 26 -2.124 -6.853 1.783 1.00 70.15 H new ATOM 0 HD13 ILE A 26 -1.728 -7.854 0.366 1.00 70.15 H new ATOM 426 N ALA A 27 -6.427 -7.790 -1.734 1.00 60.34 N ATOM 427 CA ALA A 27 -7.850 -8.137 -1.852 1.00 71.32 C ATOM 428 C ALA A 27 -8.056 -9.645 -2.093 1.00 73.30 C ATOM 429 O ALA A 27 -8.903 -10.278 -1.457 1.00 13.23 O ATOM 430 CB ALA A 27 -8.498 -7.330 -2.974 1.00 12.01 C ATOM 0 H ALA A 27 -6.104 -7.113 -2.426 1.00 60.34 H new ATOM 0 HA ALA A 27 -8.329 -7.887 -0.905 1.00 71.32 H new ATOM 0 HB1 ALA A 27 -9.552 -7.596 -3.052 1.00 12.01 H new ATOM 0 HB2 ALA A 27 -8.407 -6.266 -2.756 1.00 12.01 H new ATOM 0 HB3 ALA A 27 -7.998 -7.551 -3.917 1.00 12.01 H new ATOM 436 N LYS A 28 -7.273 -10.216 -3.010 1.00 11.03 N ATOM 437 CA LYS A 28 -7.361 -11.649 -3.325 1.00 73.20 C ATOM 438 C LYS A 28 -7.024 -12.516 -2.100 1.00 33.32 C ATOM 439 O LYS A 28 -7.713 -13.496 -1.813 1.00 74.41 O ATOM 440 CB LYS A 28 -6.428 -11.997 -4.491 1.00 31.31 C ATOM 441 CG LYS A 28 -6.821 -11.332 -5.808 1.00 13.13 C ATOM 442 CD LYS A 28 -5.853 -11.685 -6.935 1.00 25.21 C ATOM 443 CE LYS A 28 -6.243 -11.017 -8.248 1.00 71.34 C ATOM 444 NZ LYS A 28 -5.306 -11.367 -9.348 1.00 43.22 N ATOM 0 H LYS A 28 -6.570 -9.711 -3.549 1.00 11.03 H new ATOM 0 HA LYS A 28 -8.390 -11.863 -3.615 1.00 73.20 H new ATOM 0 HB2 LYS A 28 -5.411 -11.700 -4.233 1.00 31.31 H new ATOM 0 HB3 LYS A 28 -6.419 -13.078 -4.628 1.00 31.31 H new ATOM 0 HG2 LYS A 28 -7.829 -11.642 -6.085 1.00 13.13 H new ATOM 0 HG3 LYS A 28 -6.845 -10.250 -5.676 1.00 13.13 H new ATOM 0 HD2 LYS A 28 -4.845 -11.378 -6.657 1.00 25.21 H new ATOM 0 HD3 LYS A 28 -5.832 -12.766 -7.070 1.00 25.21 H new ATOM 0 HE2 LYS A 28 -7.254 -11.319 -8.522 1.00 71.34 H new ATOM 0 HE3 LYS A 28 -6.258 -9.935 -8.114 1.00 71.34 H new ATOM 0 HZ1 LYS A 28 -5.606 -10.893 -10.224 1.00 43.22 H new ATOM 0 HZ2 LYS A 28 -4.345 -11.057 -9.098 1.00 43.22 H new ATOM 0 HZ3 LYS A 28 -5.310 -12.397 -9.493 1.00 43.22 H new ATOM 458 N MET A 29 -5.968 -12.144 -1.373 1.00 50.44 N ATOM 459 CA MET A 29 -5.571 -12.874 -0.162 1.00 75.54 C ATOM 460 C MET A 29 -6.622 -12.722 0.950 1.00 53.25 C ATOM 461 O MET A 29 -6.857 -13.650 1.726 1.00 50.33 O ATOM 462 CB MET A 29 -4.204 -12.384 0.335 1.00 24.23 C ATOM 463 CG MET A 29 -3.091 -12.554 -0.683 1.00 74.24 C ATOM 464 SD MET A 29 -1.501 -11.973 -0.064 1.00 70.34 S ATOM 465 CE MET A 29 -0.489 -12.126 -1.534 1.00 31.14 C ATOM 0 H MET A 29 -5.374 -11.346 -1.598 1.00 50.44 H new ATOM 0 HA MET A 29 -5.498 -13.931 -0.419 1.00 75.54 H new ATOM 0 HB2 MET A 29 -4.281 -11.331 0.604 1.00 24.23 H new ATOM 0 HB3 MET A 29 -3.941 -12.927 1.243 1.00 24.23 H new ATOM 0 HG2 MET A 29 -3.009 -13.606 -0.956 1.00 74.24 H new ATOM 0 HG3 MET A 29 -3.346 -12.008 -1.591 1.00 74.24 H new ATOM 0 HE1 MET A 29 0.523 -11.786 -1.316 1.00 31.14 H new ATOM 0 HE2 MET A 29 -0.462 -13.169 -1.850 1.00 31.14 H new ATOM 0 HE3 MET A 29 -0.912 -11.516 -2.332 1.00 31.14 H new ATOM 475 N ALA A 30 -7.257 -11.551 1.008 1.00 5.23 N ATOM 476 CA ALA A 30 -8.307 -11.275 1.995 1.00 61.55 C ATOM 477 C ALA A 30 -9.605 -12.042 1.686 1.00 72.14 C ATOM 478 O ALA A 30 -10.465 -12.200 2.555 1.00 40.33 O ATOM 479 CB ALA A 30 -8.580 -9.777 2.055 1.00 25.24 C ATOM 0 H ALA A 30 -7.062 -10.772 0.379 1.00 5.23 H new ATOM 0 HA ALA A 30 -7.950 -11.620 2.965 1.00 61.55 H new ATOM 0 HB1 ALA A 30 -9.360 -9.579 2.790 1.00 25.24 H new ATOM 0 HB2 ALA A 30 -7.669 -9.252 2.343 1.00 25.24 H new ATOM 0 HB3 ALA A 30 -8.906 -9.427 1.076 1.00 25.24 H new ATOM 485 N GLY A 31 -9.742 -12.511 0.443 1.00 73.31 N ATOM 486 CA GLY A 31 -10.927 -13.270 0.040 1.00 24.21 C ATOM 487 C GLY A 31 -11.950 -12.439 -0.733 1.00 42.43 C ATOM 488 O GLY A 31 -13.097 -12.857 -0.904 1.00 53.14 O ATOM 0 H GLY A 31 -9.052 -12.379 -0.297 1.00 73.31 H new ATOM 0 HA2 GLY A 31 -10.616 -14.114 -0.576 1.00 24.21 H new ATOM 0 HA3 GLY A 31 -11.404 -13.683 0.929 1.00 24.21 H new ATOM 492 N TYR A 32 -11.542 -11.263 -1.205 1.00 21.25 N ATOM 493 CA TYR A 32 -12.431 -10.382 -1.977 1.00 21.45 C ATOM 494 C TYR A 32 -11.786 -9.970 -3.315 1.00 35.43 C ATOM 495 O TYR A 32 -11.359 -8.825 -3.484 1.00 21.32 O ATOM 496 CB TYR A 32 -12.782 -9.130 -1.161 1.00 62.53 C ATOM 497 CG TYR A 32 -13.482 -9.423 0.154 1.00 25.31 C ATOM 498 CD1 TYR A 32 -12.754 -9.724 1.302 1.00 40.31 C ATOM 499 CD2 TYR A 32 -14.868 -9.396 0.247 1.00 12.25 C ATOM 500 CE1 TYR A 32 -13.388 -9.989 2.499 1.00 61.41 C ATOM 501 CE2 TYR A 32 -15.509 -9.659 1.441 1.00 5.31 C ATOM 502 CZ TYR A 32 -14.765 -9.955 2.563 1.00 22.32 C ATOM 503 OH TYR A 32 -15.400 -10.221 3.757 1.00 53.13 O ATOM 0 H TYR A 32 -10.601 -10.893 -1.069 1.00 21.25 H new ATOM 0 HA TYR A 32 -13.343 -10.938 -2.194 1.00 21.45 H new ATOM 0 HB2 TYR A 32 -11.867 -8.574 -0.957 1.00 62.53 H new ATOM 0 HB3 TYR A 32 -13.420 -8.484 -1.764 1.00 62.53 H new ATOM 0 HD1 TYR A 32 -11.675 -9.751 1.255 1.00 40.31 H new ATOM 0 HD2 TYR A 32 -15.454 -9.165 -0.630 1.00 12.25 H new ATOM 0 HE1 TYR A 32 -12.809 -10.222 3.380 1.00 61.41 H new ATOM 0 HE2 TYR A 32 -16.587 -9.633 1.496 1.00 5.31 H new ATOM 0 HH TYR A 32 -16.370 -10.155 3.633 1.00 53.13 H new ATOM 513 N PRO A 33 -11.701 -10.896 -4.289 1.00 33.35 N ATOM 514 CA PRO A 33 -11.064 -10.615 -5.582 1.00 31.14 C ATOM 515 C PRO A 33 -11.903 -9.685 -6.475 1.00 65.22 C ATOM 516 O PRO A 33 -12.835 -10.121 -7.149 1.00 44.55 O ATOM 517 CB PRO A 33 -10.923 -12.007 -6.215 1.00 61.33 C ATOM 518 CG PRO A 33 -12.025 -12.812 -5.611 1.00 10.42 C ATOM 519 CD PRO A 33 -12.215 -12.282 -4.211 1.00 2.52 C ATOM 0 HA PRO A 33 -10.117 -10.089 -5.462 1.00 31.14 H new ATOM 0 HB2 PRO A 33 -11.016 -11.960 -7.300 1.00 61.33 H new ATOM 0 HB3 PRO A 33 -9.948 -12.444 -5.997 1.00 61.33 H new ATOM 0 HG2 PRO A 33 -12.942 -12.714 -6.192 1.00 10.42 H new ATOM 0 HG3 PRO A 33 -11.769 -13.871 -5.595 1.00 10.42 H new ATOM 0 HD2 PRO A 33 -13.263 -12.304 -3.913 1.00 2.52 H new ATOM 0 HD3 PRO A 33 -11.663 -12.873 -3.480 1.00 2.52 H new ATOM 527 N GLY A 34 -11.580 -8.393 -6.458 1.00 34.44 N ATOM 528 CA GLY A 34 -12.296 -7.431 -7.295 1.00 52.31 C ATOM 529 C GLY A 34 -12.504 -6.080 -6.617 1.00 74.32 C ATOM 530 O GLY A 34 -12.451 -5.039 -7.269 1.00 71.31 O ATOM 0 H GLY A 34 -10.839 -7.992 -5.883 1.00 34.44 H new ATOM 0 HA2 GLY A 34 -11.742 -7.283 -8.222 1.00 52.31 H new ATOM 0 HA3 GLY A 34 -13.266 -7.847 -7.566 1.00 52.31 H new ATOM 534 N TYR A 35 -12.722 -6.096 -5.303 1.00 45.45 N ATOM 535 CA TYR A 35 -12.981 -4.866 -4.537 1.00 5.35 C ATOM 536 C TYR A 35 -11.679 -4.150 -4.124 1.00 1.31 C ATOM 537 O TYR A 35 -11.613 -3.510 -3.073 1.00 44.11 O ATOM 538 CB TYR A 35 -13.824 -5.203 -3.296 1.00 24.22 C ATOM 539 CG TYR A 35 -15.232 -5.674 -3.628 1.00 60.13 C ATOM 540 CD1 TYR A 35 -16.260 -4.759 -3.835 1.00 20.34 C ATOM 541 CD2 TYR A 35 -15.534 -7.031 -3.739 1.00 13.43 C ATOM 542 CE1 TYR A 35 -17.541 -5.177 -4.140 1.00 1.32 C ATOM 543 CE2 TYR A 35 -16.816 -7.455 -4.044 1.00 31.13 C ATOM 544 CZ TYR A 35 -17.817 -6.524 -4.244 1.00 74.31 C ATOM 545 OH TYR A 35 -19.094 -6.939 -4.548 1.00 10.31 O ATOM 0 H TYR A 35 -12.725 -6.947 -4.740 1.00 45.45 H new ATOM 0 HA TYR A 35 -13.530 -4.179 -5.182 1.00 5.35 H new ATOM 0 HB2 TYR A 35 -13.316 -5.978 -2.721 1.00 24.22 H new ATOM 0 HB3 TYR A 35 -13.885 -4.321 -2.658 1.00 24.22 H new ATOM 0 HD1 TYR A 35 -16.052 -3.702 -3.756 1.00 20.34 H new ATOM 0 HD2 TYR A 35 -14.755 -7.763 -3.584 1.00 13.43 H new ATOM 0 HE1 TYR A 35 -18.324 -4.450 -4.297 1.00 1.32 H new ATOM 0 HE2 TYR A 35 -17.033 -8.510 -4.125 1.00 31.13 H new ATOM 0 HH TYR A 35 -19.120 -7.918 -4.585 1.00 10.31 H new ATOM 555 N ALA A 36 -10.663 -4.218 -4.985 1.00 52.15 N ATOM 556 CA ALA A 36 -9.354 -3.614 -4.704 1.00 72.22 C ATOM 557 C ALA A 36 -9.461 -2.092 -4.507 1.00 21.11 C ATOM 558 O ALA A 36 -8.807 -1.518 -3.636 1.00 61.42 O ATOM 559 CB ALA A 36 -8.382 -3.943 -5.831 1.00 14.23 C ATOM 0 H ALA A 36 -10.719 -4.688 -5.889 1.00 52.15 H new ATOM 0 HA ALA A 36 -8.979 -4.035 -3.771 1.00 72.22 H new ATOM 0 HB1 ALA A 36 -7.412 -3.493 -5.618 1.00 14.23 H new ATOM 0 HB2 ALA A 36 -8.270 -5.024 -5.911 1.00 14.23 H new ATOM 0 HB3 ALA A 36 -8.767 -3.547 -6.771 1.00 14.23 H new ATOM 565 N ARG A 37 -10.301 -1.449 -5.315 1.00 44.22 N ATOM 566 CA ARG A 37 -10.535 -0.005 -5.204 1.00 11.30 C ATOM 567 C ARG A 37 -11.118 0.369 -3.828 1.00 72.14 C ATOM 568 O ARG A 37 -10.885 1.468 -3.321 1.00 65.54 O ATOM 569 CB ARG A 37 -11.468 0.459 -6.331 1.00 65.33 C ATOM 570 CG ARG A 37 -11.784 1.952 -6.310 1.00 3.24 C ATOM 571 CD ARG A 37 -12.473 2.402 -7.596 1.00 21.33 C ATOM 572 NE ARG A 37 -12.819 3.822 -7.571 1.00 43.55 N ATOM 573 CZ ARG A 37 -12.007 4.789 -7.914 1.00 64.42 C ATOM 574 NH1 ARG A 37 -10.806 4.533 -8.325 1.00 75.55 N ATOM 575 NH2 ARG A 37 -12.409 6.016 -7.869 1.00 64.12 N ATOM 0 H ARG A 37 -10.834 -1.904 -6.057 1.00 44.22 H new ATOM 0 HA ARG A 37 -9.576 0.504 -5.301 1.00 11.30 H new ATOM 0 HB2 ARG A 37 -11.013 0.209 -7.289 1.00 65.33 H new ATOM 0 HB3 ARG A 37 -12.402 -0.099 -6.267 1.00 65.33 H new ATOM 0 HG2 ARG A 37 -12.424 2.176 -5.457 1.00 3.24 H new ATOM 0 HG3 ARG A 37 -10.862 2.517 -6.174 1.00 3.24 H new ATOM 0 HD2 ARG A 37 -11.818 2.205 -8.445 1.00 21.33 H new ATOM 0 HD3 ARG A 37 -13.377 1.812 -7.747 1.00 21.33 H new ATOM 0 HE ARG A 37 -13.758 4.077 -7.265 1.00 43.55 H new ATOM 0 HH11 ARG A 37 -10.482 3.568 -8.385 1.00 75.55 H new ATOM 0 HH12 ARG A 37 -10.184 5.297 -8.589 1.00 75.55 H new ATOM 0 HH21 ARG A 37 -13.359 6.231 -7.566 1.00 64.12 H new ATOM 0 HH22 ARG A 37 -11.776 6.770 -8.136 1.00 64.12 H new ATOM 589 N HIS A 38 -11.861 -0.555 -3.221 1.00 23.33 N ATOM 590 CA HIS A 38 -12.426 -0.336 -1.885 1.00 0.14 C ATOM 591 C HIS A 38 -11.347 -0.500 -0.806 1.00 14.21 C ATOM 592 O HIS A 38 -11.371 0.183 0.221 1.00 21.31 O ATOM 593 CB HIS A 38 -13.599 -1.290 -1.641 1.00 75.44 C ATOM 594 CG HIS A 38 -14.737 -1.067 -2.592 1.00 15.34 C ATOM 595 ND1 HIS A 38 -15.807 -0.275 -2.257 1.00 45.31 N ATOM 596 CD2 HIS A 38 -14.914 -1.537 -3.850 1.00 51.44 C ATOM 597 CE1 HIS A 38 -16.605 -0.278 -3.307 1.00 33.23 C ATOM 598 NE2 HIS A 38 -16.107 -1.031 -4.299 1.00 42.44 N ATOM 0 H HIS A 38 -12.087 -1.462 -3.630 1.00 23.33 H new ATOM 0 HA HIS A 38 -12.801 0.686 -1.829 1.00 0.14 H new ATOM 0 HB2 HIS A 38 -13.250 -2.319 -1.734 1.00 75.44 H new ATOM 0 HB3 HIS A 38 -13.956 -1.165 -0.619 1.00 75.44 H new ATOM 0 HD2 HIS A 38 -14.244 -2.186 -4.395 1.00 51.44 H new ATOM 0 HE1 HIS A 38 -17.541 0.258 -3.361 1.00 33.23 H new ATOM 0 HE2 HIS A 38 -16.533 -1.195 -5.211 1.00 42.44 H new ATOM 606 N VAL A 39 -10.397 -1.402 -1.049 1.00 23.22 N ATOM 607 CA VAL A 39 -9.205 -1.508 -0.202 1.00 31.14 C ATOM 608 C VAL A 39 -8.454 -0.167 -0.194 1.00 61.11 C ATOM 609 O VAL A 39 -8.003 0.310 0.851 1.00 2.42 O ATOM 610 CB VAL A 39 -8.250 -2.627 -0.697 1.00 4.34 C ATOM 611 CG1 VAL A 39 -7.051 -2.777 0.238 1.00 35.24 C ATOM 612 CG2 VAL A 39 -8.996 -3.954 -0.845 1.00 42.11 C ATOM 0 H VAL A 39 -10.427 -2.068 -1.821 1.00 23.22 H new ATOM 0 HA VAL A 39 -9.534 -1.761 0.806 1.00 31.14 H new ATOM 0 HB VAL A 39 -7.875 -2.339 -1.679 1.00 4.34 H new ATOM 0 HG11 VAL A 39 -6.398 -3.567 -0.132 1.00 35.24 H new ATOM 0 HG12 VAL A 39 -6.499 -1.838 0.275 1.00 35.24 H new ATOM 0 HG13 VAL A 39 -7.400 -3.033 1.239 1.00 35.24 H new ATOM 0 HG21 VAL A 39 -8.306 -4.723 -1.193 1.00 42.11 H new ATOM 0 HG22 VAL A 39 -9.410 -4.248 0.119 1.00 42.11 H new ATOM 0 HG23 VAL A 39 -9.804 -3.838 -1.567 1.00 42.11 H new ATOM 622 N GLY A 40 -8.347 0.440 -1.379 1.00 71.02 N ATOM 623 CA GLY A 40 -7.750 1.763 -1.507 1.00 33.41 C ATOM 624 C GLY A 40 -8.487 2.834 -0.703 1.00 65.33 C ATOM 625 O GLY A 40 -7.864 3.735 -0.140 1.00 12.35 O ATOM 0 H GLY A 40 -8.666 0.034 -2.259 1.00 71.02 H new ATOM 0 HA2 GLY A 40 -6.712 1.720 -1.177 1.00 33.41 H new ATOM 0 HA3 GLY A 40 -7.739 2.050 -2.559 1.00 33.41 H new ATOM 629 N LYS A 41 -9.818 2.739 -0.657 1.00 53.04 N ATOM 630 CA LYS A 41 -10.638 3.656 0.149 1.00 40.53 C ATOM 631 C LYS A 41 -10.305 3.534 1.643 1.00 60.21 C ATOM 632 O LYS A 41 -10.174 4.537 2.349 1.00 71.53 O ATOM 633 CB LYS A 41 -12.133 3.367 -0.066 1.00 10.31 C ATOM 634 CG LYS A 41 -12.611 3.569 -1.502 1.00 32.43 C ATOM 635 CD LYS A 41 -14.084 3.197 -1.661 1.00 14.11 C ATOM 636 CE LYS A 41 -14.582 3.441 -3.080 1.00 21.30 C ATOM 637 NZ LYS A 41 -14.528 4.881 -3.454 1.00 22.33 N ATOM 0 H LYS A 41 -10.354 2.037 -1.167 1.00 53.04 H new ATOM 0 HA LYS A 41 -10.413 4.672 -0.176 1.00 40.53 H new ATOM 0 HB2 LYS A 41 -12.339 2.339 0.232 1.00 10.31 H new ATOM 0 HB3 LYS A 41 -12.714 4.012 0.592 1.00 10.31 H new ATOM 0 HG2 LYS A 41 -12.464 4.609 -1.792 1.00 32.43 H new ATOM 0 HG3 LYS A 41 -12.007 2.962 -2.176 1.00 32.43 H new ATOM 0 HD2 LYS A 41 -14.223 2.147 -1.403 1.00 14.11 H new ATOM 0 HD3 LYS A 41 -14.683 3.779 -0.961 1.00 14.11 H new ATOM 0 HE2 LYS A 41 -13.979 2.863 -3.780 1.00 21.30 H new ATOM 0 HE3 LYS A 41 -15.607 3.082 -3.170 1.00 21.30 H new ATOM 0 HZ1 LYS A 41 -15.057 5.031 -4.337 1.00 22.33 H new ATOM 0 HZ2 LYS A 41 -14.951 5.453 -2.695 1.00 22.33 H new ATOM 0 HZ3 LYS A 41 -13.538 5.167 -3.592 1.00 22.33 H new ATOM 651 N ALA A 42 -10.180 2.297 2.120 1.00 44.12 N ATOM 652 CA ALA A 42 -9.858 2.035 3.526 1.00 52.41 C ATOM 653 C ALA A 42 -8.472 2.576 3.904 1.00 50.55 C ATOM 654 O ALA A 42 -8.330 3.363 4.841 1.00 32.43 O ATOM 655 CB ALA A 42 -9.931 0.541 3.806 1.00 64.24 C ATOM 0 H ALA A 42 -10.297 1.457 1.554 1.00 44.12 H new ATOM 0 HA ALA A 42 -10.594 2.557 4.138 1.00 52.41 H new ATOM 0 HB1 ALA A 42 -9.690 0.355 4.853 1.00 64.24 H new ATOM 0 HB2 ALA A 42 -10.938 0.180 3.595 1.00 64.24 H new ATOM 0 HB3 ALA A 42 -9.217 0.016 3.171 1.00 64.24 H new ATOM 661 N LEU A 43 -7.453 2.153 3.160 1.00 52.05 N ATOM 662 CA LEU A 43 -6.072 2.574 3.423 1.00 25.34 C ATOM 663 C LEU A 43 -5.883 4.080 3.183 1.00 64.53 C ATOM 664 O LEU A 43 -5.092 4.729 3.864 1.00 72.25 O ATOM 665 CB LEU A 43 -5.104 1.766 2.551 1.00 54.42 C ATOM 666 CG LEU A 43 -5.173 0.245 2.757 1.00 22.24 C ATOM 667 CD1 LEU A 43 -4.179 -0.472 1.852 1.00 72.53 C ATOM 668 CD2 LEU A 43 -4.931 -0.114 4.222 1.00 11.42 C ATOM 0 H LEU A 43 -7.554 1.518 2.368 1.00 52.05 H new ATOM 0 HA LEU A 43 -5.855 2.381 4.474 1.00 25.34 H new ATOM 0 HB2 LEU A 43 -5.309 1.987 1.503 1.00 54.42 H new ATOM 0 HB3 LEU A 43 -4.087 2.101 2.754 1.00 54.42 H new ATOM 0 HG LEU A 43 -6.175 -0.088 2.487 1.00 22.24 H new ATOM 0 HD11 LEU A 43 -4.247 -1.547 2.017 1.00 72.53 H new ATOM 0 HD12 LEU A 43 -4.409 -0.249 0.810 1.00 72.53 H new ATOM 0 HD13 LEU A 43 -3.169 -0.133 2.081 1.00 72.53 H new ATOM 0 HD21 LEU A 43 -4.984 -1.196 4.345 1.00 11.42 H new ATOM 0 HD22 LEU A 43 -3.945 0.237 4.525 1.00 11.42 H new ATOM 0 HD23 LEU A 43 -5.691 0.360 4.843 1.00 11.42 H new ATOM 680 N GLY A 44 -6.623 4.628 2.220 1.00 2.34 N ATOM 681 CA GLY A 44 -6.563 6.061 1.938 1.00 73.10 C ATOM 682 C GLY A 44 -7.094 6.922 3.083 1.00 63.41 C ATOM 683 O GLY A 44 -6.863 8.133 3.124 1.00 20.11 O ATOM 0 H GLY A 44 -7.267 4.106 1.626 1.00 2.34 H new ATOM 0 HA2 GLY A 44 -5.530 6.341 1.730 1.00 73.10 H new ATOM 0 HA3 GLY A 44 -7.138 6.272 1.036 1.00 73.10 H new ATOM 687 N ASN A 45 -7.820 6.299 4.010 1.00 34.32 N ATOM 688 CA ASN A 45 -8.348 7.003 5.183 1.00 53.14 C ATOM 689 C ASN A 45 -7.341 6.960 6.345 1.00 30.12 C ATOM 690 O ASN A 45 -7.283 7.878 7.166 1.00 51.24 O ATOM 691 CB ASN A 45 -9.689 6.386 5.613 1.00 13.13 C ATOM 692 CG ASN A 45 -10.347 7.133 6.762 1.00 64.24 C ATOM 693 OD1 ASN A 45 -10.164 8.334 6.930 1.00 71.30 O ATOM 694 ND2 ASN A 45 -11.134 6.437 7.558 1.00 41.44 N ATOM 0 H ASN A 45 -8.057 5.308 3.974 1.00 34.32 H new ATOM 0 HA ASN A 45 -8.512 8.046 4.913 1.00 53.14 H new ATOM 0 HB2 ASN A 45 -10.367 6.374 4.760 1.00 13.13 H new ATOM 0 HB3 ASN A 45 -9.528 5.349 5.907 1.00 13.13 H new ATOM 0 HD21 ASN A 45 -11.608 6.896 8.336 1.00 41.44 H new ATOM 0 HD22 ASN A 45 -11.269 5.439 7.396 1.00 41.44 H new ATOM 701 N LEU A 46 -6.535 5.898 6.396 1.00 0.03 N ATOM 702 CA LEU A 46 -5.527 5.735 7.450 1.00 43.43 C ATOM 703 C LEU A 46 -4.486 6.872 7.411 1.00 21.03 C ATOM 704 O LEU A 46 -3.702 6.980 6.471 1.00 75.04 O ATOM 705 CB LEU A 46 -4.834 4.374 7.312 1.00 54.44 C ATOM 706 CG LEU A 46 -5.753 3.152 7.490 1.00 65.13 C ATOM 707 CD1 LEU A 46 -4.985 1.859 7.239 1.00 61.14 C ATOM 708 CD2 LEU A 46 -6.388 3.142 8.882 1.00 62.20 C ATOM 0 H LEU A 46 -6.559 5.135 5.719 1.00 0.03 H new ATOM 0 HA LEU A 46 -6.035 5.780 8.413 1.00 43.43 H new ATOM 0 HB2 LEU A 46 -4.369 4.319 6.328 1.00 54.44 H new ATOM 0 HB3 LEU A 46 -4.032 4.316 8.048 1.00 54.44 H new ATOM 0 HG LEU A 46 -6.554 3.223 6.754 1.00 65.13 H new ATOM 0 HD11 LEU A 46 -5.653 1.008 7.370 1.00 61.14 H new ATOM 0 HD12 LEU A 46 -4.594 1.860 6.222 1.00 61.14 H new ATOM 0 HD13 LEU A 46 -4.158 1.784 7.946 1.00 61.14 H new ATOM 0 HD21 LEU A 46 -7.032 2.269 8.982 1.00 62.20 H new ATOM 0 HD22 LEU A 46 -5.605 3.103 9.639 1.00 62.20 H new ATOM 0 HD23 LEU A 46 -6.980 4.047 9.018 1.00 62.20 H new ATOM 720 N PRO A 47 -4.479 7.741 8.437 1.00 31.12 N ATOM 721 CA PRO A 47 -3.636 8.938 8.461 1.00 63.45 C ATOM 722 C PRO A 47 -2.276 8.750 9.157 1.00 52.00 C ATOM 723 O PRO A 47 -1.863 7.634 9.488 1.00 65.53 O ATOM 724 CB PRO A 47 -4.512 9.899 9.265 1.00 25.15 C ATOM 725 CG PRO A 47 -5.192 9.026 10.274 1.00 11.43 C ATOM 726 CD PRO A 47 -5.303 7.645 9.656 1.00 51.25 C ATOM 0 HA PRO A 47 -3.359 9.262 7.458 1.00 63.45 H new ATOM 0 HB2 PRO A 47 -3.914 10.673 9.747 1.00 25.15 H new ATOM 0 HB3 PRO A 47 -5.235 10.406 8.627 1.00 25.15 H new ATOM 0 HG2 PRO A 47 -4.620 8.990 11.201 1.00 11.43 H new ATOM 0 HG3 PRO A 47 -6.178 9.418 10.523 1.00 11.43 H new ATOM 0 HD2 PRO A 47 -4.932 6.873 10.331 1.00 51.25 H new ATOM 0 HD3 PRO A 47 -6.337 7.393 9.422 1.00 51.25 H new ATOM 734 N GLU A 48 -1.587 9.872 9.370 1.00 61.41 N ATOM 735 CA GLU A 48 -0.307 9.893 10.081 1.00 23.12 C ATOM 736 C GLU A 48 -0.472 9.419 11.539 1.00 1.31 C ATOM 737 O GLU A 48 -1.034 10.132 12.373 1.00 53.45 O ATOM 738 CB GLU A 48 0.273 11.318 10.045 1.00 44.20 C ATOM 739 CG GLU A 48 1.590 11.490 10.799 1.00 43.21 C ATOM 740 CD GLU A 48 2.716 10.638 10.237 1.00 62.22 C ATOM 741 OE1 GLU A 48 3.397 11.084 9.293 1.00 24.44 O ATOM 742 OE2 GLU A 48 2.927 9.511 10.736 1.00 42.10 O ATOM 0 H GLU A 48 -1.900 10.791 9.055 1.00 61.41 H new ATOM 0 HA GLU A 48 0.379 9.207 9.585 1.00 23.12 H new ATOM 0 HB2 GLU A 48 0.425 11.608 9.005 1.00 44.20 H new ATOM 0 HB3 GLU A 48 -0.462 12.006 10.463 1.00 44.20 H new ATOM 0 HG2 GLU A 48 1.886 12.539 10.767 1.00 43.21 H new ATOM 0 HG3 GLU A 48 1.437 11.234 11.847 1.00 43.21 H new ATOM 749 N GLY A 49 0.007 8.209 11.834 1.00 70.45 N ATOM 750 CA GLY A 49 -0.102 7.662 13.188 1.00 41.22 C ATOM 751 C GLY A 49 -0.720 6.263 13.233 1.00 31.33 C ATOM 752 O GLY A 49 -0.834 5.661 14.307 1.00 74.44 O ATOM 0 H GLY A 49 0.469 7.595 11.163 1.00 70.45 H new ATOM 0 HA2 GLY A 49 0.890 7.627 13.638 1.00 41.22 H new ATOM 0 HA3 GLY A 49 -0.704 8.336 13.796 1.00 41.22 H new ATOM 756 N SER A 50 -1.121 5.745 12.073 1.00 40.44 N ATOM 757 CA SER A 50 -1.716 4.401 11.973 1.00 13.32 C ATOM 758 C SER A 50 -0.724 3.295 12.366 1.00 14.54 C ATOM 759 O SER A 50 0.452 3.335 11.997 1.00 75.42 O ATOM 760 CB SER A 50 -2.212 4.142 10.543 1.00 43.41 C ATOM 761 OG SER A 50 -2.644 2.798 10.381 1.00 65.53 O ATOM 0 H SER A 50 -1.047 6.234 11.181 1.00 40.44 H new ATOM 0 HA SER A 50 -2.552 4.373 12.672 1.00 13.32 H new ATOM 0 HB2 SER A 50 -3.033 4.820 10.312 1.00 43.41 H new ATOM 0 HB3 SER A 50 -1.412 4.357 9.834 1.00 43.41 H new ATOM 0 HG SER A 50 -1.977 2.300 9.865 1.00 65.53 H new ATOM 767 N LYS A 51 -1.207 2.310 13.122 1.00 3.14 N ATOM 768 CA LYS A 51 -0.403 1.137 13.486 1.00 75.34 C ATOM 769 C LYS A 51 -0.135 0.263 12.255 1.00 52.13 C ATOM 770 O LYS A 51 0.985 -0.212 12.036 1.00 63.32 O ATOM 771 CB LYS A 51 -1.131 0.316 14.558 1.00 4.04 C ATOM 772 CG LYS A 51 -0.385 -0.947 14.988 1.00 62.44 C ATOM 773 CD LYS A 51 -1.176 -1.759 16.012 1.00 12.25 C ATOM 774 CE LYS A 51 -1.405 -0.986 17.306 1.00 61.41 C ATOM 775 NZ LYS A 51 -0.126 -0.579 17.948 1.00 2.11 N ATOM 0 H LYS A 51 -2.155 2.299 13.497 1.00 3.14 H new ATOM 0 HA LYS A 51 0.552 1.482 13.883 1.00 75.34 H new ATOM 0 HB2 LYS A 51 -1.295 0.945 15.433 1.00 4.04 H new ATOM 0 HB3 LYS A 51 -2.114 0.034 14.180 1.00 4.04 H new ATOM 0 HG2 LYS A 51 -0.184 -1.565 14.113 1.00 62.44 H new ATOM 0 HG3 LYS A 51 0.580 -0.671 15.412 1.00 62.44 H new ATOM 0 HD2 LYS A 51 -2.138 -2.042 15.584 1.00 12.25 H new ATOM 0 HD3 LYS A 51 -0.641 -2.683 16.232 1.00 12.25 H new ATOM 0 HE2 LYS A 51 -2.004 -0.099 17.097 1.00 61.41 H new ATOM 0 HE3 LYS A 51 -1.978 -1.602 17.999 1.00 61.41 H new ATOM 0 HZ1 LYS A 51 -0.316 -0.225 18.907 1.00 2.11 H new ATOM 0 HZ2 LYS A 51 0.512 -1.399 18.002 1.00 2.11 H new ATOM 0 HZ3 LYS A 51 0.322 0.171 17.384 1.00 2.11 H new ATOM 789 N LEU A 52 -1.181 0.061 11.460 1.00 5.51 N ATOM 790 CA LEU A 52 -1.085 -0.706 10.219 1.00 61.21 C ATOM 791 C LEU A 52 -0.316 0.084 9.147 1.00 72.43 C ATOM 792 O LEU A 52 -0.679 1.223 8.834 1.00 55.53 O ATOM 793 CB LEU A 52 -2.492 -1.026 9.698 1.00 20.21 C ATOM 794 CG LEU A 52 -2.541 -1.787 8.361 1.00 22.33 C ATOM 795 CD1 LEU A 52 -2.085 -3.231 8.541 1.00 74.44 C ATOM 796 CD2 LEU A 52 -3.940 -1.727 7.755 1.00 21.11 C ATOM 0 H LEU A 52 -2.115 0.421 11.655 1.00 5.51 H new ATOM 0 HA LEU A 52 -0.547 -1.631 10.428 1.00 61.21 H new ATOM 0 HB2 LEU A 52 -3.015 -1.615 10.452 1.00 20.21 H new ATOM 0 HB3 LEU A 52 -3.041 -0.091 9.585 1.00 20.21 H new ATOM 0 HG LEU A 52 -1.853 -1.302 7.669 1.00 22.33 H new ATOM 0 HD11 LEU A 52 -2.128 -3.748 7.583 1.00 74.44 H new ATOM 0 HD12 LEU A 52 -1.061 -3.245 8.915 1.00 74.44 H new ATOM 0 HD13 LEU A 52 -2.739 -3.733 9.254 1.00 74.44 H new ATOM 0 HD21 LEU A 52 -3.951 -2.271 6.811 1.00 21.11 H new ATOM 0 HD22 LEU A 52 -4.654 -2.179 8.443 1.00 21.11 H new ATOM 0 HD23 LEU A 52 -4.215 -0.687 7.578 1.00 21.11 H new ATOM 808 N PRO A 53 0.753 -0.492 8.564 1.00 33.03 N ATOM 809 CA PRO A 53 1.480 0.179 7.486 1.00 71.31 C ATOM 810 C PRO A 53 0.670 0.197 6.176 1.00 43.34 C ATOM 811 O PRO A 53 0.704 -0.747 5.387 1.00 74.43 O ATOM 812 CB PRO A 53 2.755 -0.666 7.341 1.00 75.00 C ATOM 813 CG PRO A 53 2.363 -2.026 7.822 1.00 14.14 C ATOM 814 CD PRO A 53 1.336 -1.806 8.905 1.00 51.34 C ATOM 0 HA PRO A 53 1.683 1.227 7.705 1.00 71.31 H new ATOM 0 HB2 PRO A 53 3.096 -0.695 6.306 1.00 75.00 H new ATOM 0 HB3 PRO A 53 3.572 -0.256 7.935 1.00 75.00 H new ATOM 0 HG2 PRO A 53 1.950 -2.623 7.009 1.00 14.14 H new ATOM 0 HG3 PRO A 53 3.227 -2.567 8.208 1.00 14.14 H new ATOM 0 HD2 PRO A 53 0.581 -2.592 8.908 1.00 51.34 H new ATOM 0 HD3 PRO A 53 1.792 -1.798 9.895 1.00 51.34 H new ATOM 822 N TRP A 54 -0.047 1.295 5.955 1.00 25.23 N ATOM 823 CA TRP A 54 -0.892 1.458 4.764 1.00 1.03 C ATOM 824 C TRP A 54 -0.064 1.888 3.547 1.00 54.30 C ATOM 825 O TRP A 54 -0.375 1.538 2.410 1.00 41.11 O ATOM 826 CB TRP A 54 -2.007 2.479 5.047 1.00 3.02 C ATOM 827 CG TRP A 54 -1.513 3.798 5.579 1.00 64.24 C ATOM 828 CD1 TRP A 54 -1.281 4.124 6.887 1.00 4.11 C ATOM 829 CD2 TRP A 54 -1.202 4.970 4.816 1.00 5.43 C ATOM 830 NE1 TRP A 54 -0.837 5.420 6.980 1.00 31.51 N ATOM 831 CE2 TRP A 54 -0.782 5.962 5.723 1.00 55.51 C ATOM 832 CE3 TRP A 54 -1.237 5.275 3.454 1.00 71.33 C ATOM 833 CZ2 TRP A 54 -0.400 7.237 5.306 1.00 24.13 C ATOM 834 CZ3 TRP A 54 -0.857 6.535 3.044 1.00 65.10 C ATOM 835 CH2 TRP A 54 -0.442 7.502 3.966 1.00 23.13 C ATOM 0 H TRP A 54 -0.063 2.095 6.588 1.00 25.23 H new ATOM 0 HA TRP A 54 -1.344 0.494 4.531 1.00 1.03 H new ATOM 0 HB2 TRP A 54 -2.564 2.656 4.127 1.00 3.02 H new ATOM 0 HB3 TRP A 54 -2.705 2.049 5.765 1.00 3.02 H new ATOM 0 HD1 TRP A 54 -1.426 3.458 7.725 1.00 4.11 H new ATOM 0 HE1 TRP A 54 -0.589 5.901 7.844 1.00 31.51 H new ATOM 0 HE3 TRP A 54 -1.556 4.536 2.734 1.00 71.33 H new ATOM 0 HZ2 TRP A 54 -0.083 7.987 6.016 1.00 24.13 H new ATOM 0 HZ3 TRP A 54 -0.880 6.780 1.992 1.00 65.10 H new ATOM 0 HH2 TRP A 54 -0.149 8.479 3.611 1.00 23.13 H new ATOM 846 N PHE A 55 1.007 2.631 3.805 1.00 34.35 N ATOM 847 CA PHE A 55 1.884 3.139 2.746 1.00 60.43 C ATOM 848 C PHE A 55 2.527 2.011 1.916 1.00 54.25 C ATOM 849 O PHE A 55 3.022 2.251 0.818 1.00 3.42 O ATOM 850 CB PHE A 55 2.972 4.030 3.356 1.00 31.41 C ATOM 851 CG PHE A 55 3.809 3.349 4.416 1.00 41.43 C ATOM 852 CD1 PHE A 55 4.972 2.669 4.076 1.00 2.30 C ATOM 853 CD2 PHE A 55 3.436 3.400 5.754 1.00 4.54 C ATOM 854 CE1 PHE A 55 5.742 2.059 5.046 1.00 35.04 C ATOM 855 CE2 PHE A 55 4.204 2.788 6.726 1.00 61.00 C ATOM 856 CZ PHE A 55 5.358 2.118 6.372 1.00 34.20 C ATOM 0 H PHE A 55 1.294 2.899 4.746 1.00 34.35 H new ATOM 0 HA PHE A 55 1.264 3.722 2.064 1.00 60.43 H new ATOM 0 HB2 PHE A 55 3.629 4.379 2.559 1.00 31.41 H new ATOM 0 HB3 PHE A 55 2.502 4.912 3.791 1.00 31.41 H new ATOM 0 HD1 PHE A 55 5.277 2.617 3.041 1.00 2.30 H new ATOM 0 HD2 PHE A 55 2.535 3.924 6.037 1.00 4.54 H new ATOM 0 HE1 PHE A 55 6.645 1.535 4.768 1.00 35.04 H new ATOM 0 HE2 PHE A 55 3.902 2.834 7.762 1.00 61.00 H new ATOM 0 HZ PHE A 55 5.960 1.640 7.131 1.00 34.20 H new ATOM 866 N ARG A 56 2.510 0.782 2.437 1.00 2.41 N ATOM 867 CA ARG A 56 3.120 -0.355 1.736 1.00 10.13 C ATOM 868 C ARG A 56 2.227 -0.882 0.604 1.00 75.32 C ATOM 869 O ARG A 56 2.670 -1.686 -0.208 1.00 3.14 O ATOM 870 CB ARG A 56 3.431 -1.502 2.713 1.00 62.34 C ATOM 871 CG ARG A 56 4.393 -1.125 3.834 1.00 33.30 C ATOM 872 CD ARG A 56 4.945 -2.361 4.547 1.00 14.12 C ATOM 873 NE ARG A 56 5.791 -2.019 5.689 1.00 64.13 N ATOM 874 CZ ARG A 56 6.914 -1.364 5.613 1.00 11.31 C ATOM 875 NH1 ARG A 56 7.408 -1.018 4.467 1.00 23.32 N ATOM 876 NH2 ARG A 56 7.562 -1.083 6.696 1.00 10.04 N ATOM 0 H ARG A 56 2.085 0.548 3.334 1.00 2.41 H new ATOM 0 HA ARG A 56 4.048 0.012 1.298 1.00 10.13 H new ATOM 0 HB2 ARG A 56 2.497 -1.852 3.153 1.00 62.34 H new ATOM 0 HB3 ARG A 56 3.853 -2.337 2.153 1.00 62.34 H new ATOM 0 HG2 ARG A 56 5.218 -0.542 3.424 1.00 33.30 H new ATOM 0 HG3 ARG A 56 3.880 -0.488 4.555 1.00 33.30 H new ATOM 0 HD2 ARG A 56 4.115 -2.981 4.887 1.00 14.12 H new ATOM 0 HD3 ARG A 56 5.520 -2.958 3.839 1.00 14.12 H new ATOM 0 HE ARG A 56 5.479 -2.315 6.614 1.00 64.13 H new ATOM 0 HH11 ARG A 56 6.916 -1.258 3.606 1.00 23.32 H new ATOM 0 HH12 ARG A 56 8.289 -0.505 4.425 1.00 23.32 H new ATOM 0 HH21 ARG A 56 7.193 -1.374 7.601 1.00 10.04 H new ATOM 0 HH22 ARG A 56 8.442 -0.570 6.645 1.00 10.04 H new ATOM 890 N VAL A 57 0.971 -0.443 0.549 1.00 62.41 N ATOM 891 CA VAL A 57 0.037 -0.939 -0.470 1.00 53.01 C ATOM 892 C VAL A 57 -0.332 0.153 -1.493 1.00 12.25 C ATOM 893 O VAL A 57 -0.876 1.203 -1.141 1.00 3.21 O ATOM 894 CB VAL A 57 -1.252 -1.507 0.174 1.00 33.41 C ATOM 895 CG1 VAL A 57 -2.130 -2.181 -0.879 1.00 0.24 C ATOM 896 CG2 VAL A 57 -0.911 -2.482 1.303 1.00 64.44 C ATOM 0 H VAL A 57 0.576 0.247 1.188 1.00 62.41 H new ATOM 0 HA VAL A 57 0.552 -1.742 -0.997 1.00 53.01 H new ATOM 0 HB VAL A 57 -1.813 -0.676 0.603 1.00 33.41 H new ATOM 0 HG11 VAL A 57 -3.030 -2.573 -0.405 1.00 0.24 H new ATOM 0 HG12 VAL A 57 -2.409 -1.453 -1.641 1.00 0.24 H new ATOM 0 HG13 VAL A 57 -1.579 -2.999 -1.343 1.00 0.24 H new ATOM 0 HG21 VAL A 57 -1.832 -2.868 1.741 1.00 64.44 H new ATOM 0 HG22 VAL A 57 -0.324 -3.309 0.904 1.00 64.44 H new ATOM 0 HG23 VAL A 57 -0.334 -1.964 2.069 1.00 64.44 H new ATOM 906 N ILE A 58 -0.029 -0.108 -2.765 1.00 20.42 N ATOM 907 CA ILE A 58 -0.313 0.837 -3.854 1.00 44.12 C ATOM 908 C ILE A 58 -1.248 0.222 -4.914 1.00 51.34 C ATOM 909 O ILE A 58 -1.818 -0.856 -4.718 1.00 32.43 O ATOM 910 CB ILE A 58 0.992 1.314 -4.541 1.00 63.13 C ATOM 911 CG1 ILE A 58 1.775 0.115 -5.100 1.00 30.22 C ATOM 912 CG2 ILE A 58 1.849 2.121 -3.567 1.00 15.34 C ATOM 913 CD1 ILE A 58 3.024 0.502 -5.865 1.00 22.34 C ATOM 0 H ILE A 58 0.417 -0.973 -3.072 1.00 20.42 H new ATOM 0 HA ILE A 58 -0.812 1.693 -3.400 1.00 44.12 H new ATOM 0 HB ILE A 58 0.727 1.964 -5.374 1.00 63.13 H new ATOM 0 HG12 ILE A 58 2.054 -0.541 -4.275 1.00 30.22 H new ATOM 0 HG13 ILE A 58 1.122 -0.459 -5.757 1.00 30.22 H new ATOM 0 HG21 ILE A 58 2.760 2.447 -4.068 1.00 15.34 H new ATOM 0 HG22 ILE A 58 1.290 2.993 -3.227 1.00 15.34 H new ATOM 0 HG23 ILE A 58 2.108 1.500 -2.710 1.00 15.34 H new ATOM 0 HD11 ILE A 58 3.522 -0.397 -6.228 1.00 22.34 H new ATOM 0 HD12 ILE A 58 2.752 1.133 -6.711 1.00 22.34 H new ATOM 0 HD13 ILE A 58 3.699 1.050 -5.207 1.00 22.34 H new ATOM 925 N ASN A 59 -1.402 0.914 -6.043 1.00 62.14 N ATOM 926 CA ASN A 59 -2.320 0.483 -7.105 1.00 11.24 C ATOM 927 C ASN A 59 -1.636 -0.445 -8.130 1.00 53.33 C ATOM 928 O ASN A 59 -0.418 -0.635 -8.107 1.00 4.51 O ATOM 929 CB ASN A 59 -2.909 1.723 -7.799 1.00 23.12 C ATOM 930 CG ASN A 59 -1.848 2.632 -8.400 1.00 14.44 C ATOM 931 OD1 ASN A 59 -0.846 2.173 -8.933 1.00 13.40 O ATOM 932 ND2 ASN A 59 -2.037 3.930 -8.291 1.00 3.15 N ATOM 0 H ASN A 59 -0.902 1.779 -6.249 1.00 62.14 H new ATOM 0 HA ASN A 59 -3.120 -0.098 -6.647 1.00 11.24 H new ATOM 0 HB2 ASN A 59 -3.591 1.402 -8.586 1.00 23.12 H new ATOM 0 HB3 ASN A 59 -3.498 2.290 -7.078 1.00 23.12 H new ATOM 0 HD21 ASN A 59 -1.340 4.579 -8.655 1.00 3.15 H new ATOM 0 HD22 ASN A 59 -2.881 4.287 -7.842 1.00 3.15 H new ATOM 939 N SER A 60 -2.432 -1.005 -9.042 1.00 70.21 N ATOM 940 CA SER A 60 -1.917 -1.905 -10.093 1.00 14.23 C ATOM 941 C SER A 60 -1.124 -1.141 -11.167 1.00 44.13 C ATOM 942 O SER A 60 -0.580 -1.740 -12.097 1.00 31.44 O ATOM 943 CB SER A 60 -3.076 -2.664 -10.757 1.00 34.41 C ATOM 944 OG SER A 60 -4.040 -1.765 -11.288 1.00 63.40 O ATOM 0 H SER A 60 -3.440 -0.855 -9.080 1.00 70.21 H new ATOM 0 HA SER A 60 -1.240 -2.610 -9.611 1.00 14.23 H new ATOM 0 HB2 SER A 60 -2.689 -3.299 -11.554 1.00 34.41 H new ATOM 0 HB3 SER A 60 -3.550 -3.321 -10.027 1.00 34.41 H new ATOM 0 HG SER A 60 -4.766 -2.273 -11.706 1.00 63.40 H new ATOM 950 N GLN A 61 -1.069 0.182 -11.038 1.00 45.15 N ATOM 951 CA GLN A 61 -0.306 1.031 -11.961 1.00 1.34 C ATOM 952 C GLN A 61 1.146 1.198 -11.479 1.00 75.33 C ATOM 953 O GLN A 61 2.005 1.688 -12.213 1.00 63.21 O ATOM 954 CB GLN A 61 -0.977 2.409 -12.076 1.00 74.54 C ATOM 955 CG GLN A 61 -2.461 2.345 -12.422 1.00 32.34 C ATOM 956 CD GLN A 61 -3.149 3.697 -12.319 1.00 51.40 C ATOM 957 OE1 GLN A 61 -3.221 4.452 -13.283 1.00 61.22 O ATOM 958 NE2 GLN A 61 -3.653 4.022 -11.145 1.00 75.03 N ATOM 0 H GLN A 61 -1.547 0.697 -10.298 1.00 45.15 H new ATOM 0 HA GLN A 61 -0.291 0.550 -12.939 1.00 1.34 H new ATOM 0 HB2 GLN A 61 -0.856 2.941 -11.132 1.00 74.54 H new ATOM 0 HB3 GLN A 61 -0.461 2.992 -12.839 1.00 74.54 H new ATOM 0 HG2 GLN A 61 -2.577 1.960 -13.435 1.00 32.34 H new ATOM 0 HG3 GLN A 61 -2.955 1.639 -11.754 1.00 32.34 H new ATOM 0 HE21 GLN A 61 -3.578 3.374 -10.361 1.00 75.03 H new ATOM 0 HE22 GLN A 61 -4.118 4.921 -11.021 1.00 75.03 H new ATOM 967 N GLY A 62 1.405 0.788 -10.239 1.00 63.51 N ATOM 968 CA GLY A 62 2.730 0.949 -9.649 1.00 10.45 C ATOM 969 C GLY A 62 2.981 2.363 -9.136 1.00 11.10 C ATOM 970 O GLY A 62 4.123 2.818 -9.066 1.00 10.14 O ATOM 0 H GLY A 62 0.719 0.345 -9.628 1.00 63.51 H new ATOM 0 HA2 GLY A 62 2.844 0.243 -8.826 1.00 10.45 H new ATOM 0 HA3 GLY A 62 3.487 0.697 -10.392 1.00 10.45 H new ATOM 974 N LYS A 63 1.907 3.058 -8.768 1.00 4.53 N ATOM 975 CA LYS A 63 1.996 4.449 -8.312 1.00 32.30 C ATOM 976 C LYS A 63 1.297 4.666 -6.968 1.00 32.14 C ATOM 977 O LYS A 63 0.485 3.852 -6.529 1.00 52.15 O ATOM 978 CB LYS A 63 1.368 5.397 -9.345 1.00 50.42 C ATOM 979 CG LYS A 63 2.131 5.490 -10.662 1.00 54.32 C ATOM 980 CD LYS A 63 1.596 6.613 -11.555 1.00 33.43 C ATOM 981 CE LYS A 63 2.104 7.997 -11.135 1.00 53.24 C ATOM 982 NZ LYS A 63 1.724 8.372 -9.744 1.00 70.24 N ATOM 0 H LYS A 63 0.959 2.681 -8.776 1.00 4.53 H new ATOM 0 HA LYS A 63 3.057 4.666 -8.192 1.00 32.30 H new ATOM 0 HB2 LYS A 63 0.350 5.066 -9.552 1.00 50.42 H new ATOM 0 HB3 LYS A 63 1.297 6.394 -8.909 1.00 50.42 H new ATOM 0 HG2 LYS A 63 3.188 5.661 -10.458 1.00 54.32 H new ATOM 0 HG3 LYS A 63 2.059 4.540 -11.191 1.00 54.32 H new ATOM 0 HD2 LYS A 63 1.889 6.421 -12.587 1.00 33.43 H new ATOM 0 HD3 LYS A 63 0.506 6.606 -11.526 1.00 33.43 H new ATOM 0 HE2 LYS A 63 3.190 8.020 -11.225 1.00 53.24 H new ATOM 0 HE3 LYS A 63 1.711 8.744 -11.825 1.00 53.24 H new ATOM 0 HZ1 LYS A 63 1.932 9.379 -9.587 1.00 70.24 H new ATOM 0 HZ2 LYS A 63 0.708 8.202 -9.604 1.00 70.24 H new ATOM 0 HZ3 LYS A 63 2.267 7.797 -9.069 1.00 70.24 H new ATOM 996 N ILE A 64 1.623 5.786 -6.329 1.00 40.03 N ATOM 997 CA ILE A 64 0.909 6.246 -5.140 1.00 3.31 C ATOM 998 C ILE A 64 -0.494 6.748 -5.537 1.00 71.34 C ATOM 999 O ILE A 64 -0.622 7.711 -6.295 1.00 73.00 O ATOM 1000 CB ILE A 64 1.695 7.380 -4.429 1.00 73.10 C ATOM 1001 CG1 ILE A 64 3.097 6.884 -4.021 1.00 55.34 C ATOM 1002 CG2 ILE A 64 0.925 7.902 -3.215 1.00 15.03 C ATOM 1003 CD1 ILE A 64 3.957 7.942 -3.358 1.00 44.03 C ATOM 0 H ILE A 64 2.386 6.398 -6.618 1.00 40.03 H new ATOM 0 HA ILE A 64 0.813 5.409 -4.448 1.00 3.31 H new ATOM 0 HB ILE A 64 1.812 8.208 -5.128 1.00 73.10 H new ATOM 0 HG12 ILE A 64 2.988 6.040 -3.340 1.00 55.34 H new ATOM 0 HG13 ILE A 64 3.613 6.514 -4.907 1.00 55.34 H new ATOM 0 HG21 ILE A 64 1.497 8.696 -2.735 1.00 15.03 H new ATOM 0 HG22 ILE A 64 -0.040 8.294 -3.537 1.00 15.03 H new ATOM 0 HG23 ILE A 64 0.768 7.089 -2.507 1.00 15.03 H new ATOM 0 HD11 ILE A 64 4.926 7.515 -3.101 1.00 44.03 H new ATOM 0 HD12 ILE A 64 4.099 8.778 -4.043 1.00 44.03 H new ATOM 0 HD13 ILE A 64 3.465 8.295 -2.452 1.00 44.03 H new ATOM 1015 N SER A 65 -1.534 6.079 -5.042 1.00 73.23 N ATOM 1016 CA SER A 65 -2.923 6.371 -5.454 1.00 75.22 C ATOM 1017 C SER A 65 -3.474 7.662 -4.834 1.00 34.44 C ATOM 1018 O SER A 65 -4.482 8.199 -5.298 1.00 31.15 O ATOM 1019 CB SER A 65 -3.845 5.206 -5.081 1.00 72.25 C ATOM 1020 OG SER A 65 -3.491 4.019 -5.772 1.00 72.20 O ATOM 0 H SER A 65 -1.450 5.330 -4.355 1.00 73.23 H new ATOM 0 HA SER A 65 -2.898 6.507 -6.535 1.00 75.22 H new ATOM 0 HB2 SER A 65 -3.795 5.031 -4.006 1.00 72.25 H new ATOM 0 HB3 SER A 65 -4.877 5.469 -5.313 1.00 72.25 H new ATOM 0 HG SER A 65 -2.838 3.515 -5.243 1.00 72.20 H new ATOM 1026 N LEU A 66 -2.833 8.147 -3.776 1.00 51.14 N ATOM 1027 CA LEU A 66 -3.299 9.352 -3.075 1.00 15.51 C ATOM 1028 C LEU A 66 -2.940 10.644 -3.838 1.00 30.13 C ATOM 1029 O LEU A 66 -2.269 10.608 -4.868 1.00 54.13 O ATOM 1030 CB LEU A 66 -2.726 9.382 -1.652 1.00 34.24 C ATOM 1031 CG LEU A 66 -3.162 8.213 -0.751 1.00 12.41 C ATOM 1032 CD1 LEU A 66 -2.537 8.333 0.636 1.00 32.32 C ATOM 1033 CD2 LEU A 66 -4.685 8.151 -0.656 1.00 44.32 C ATOM 0 H LEU A 66 -1.990 7.730 -3.381 1.00 51.14 H new ATOM 0 HA LEU A 66 -4.387 9.308 -3.023 1.00 15.51 H new ATOM 0 HB2 LEU A 66 -1.638 9.387 -1.715 1.00 34.24 H new ATOM 0 HB3 LEU A 66 -3.022 10.317 -1.177 1.00 34.24 H new ATOM 0 HG LEU A 66 -2.808 7.285 -1.200 1.00 12.41 H new ATOM 0 HD11 LEU A 66 -2.860 7.496 1.254 1.00 32.32 H new ATOM 0 HD12 LEU A 66 -1.451 8.321 0.548 1.00 32.32 H new ATOM 0 HD13 LEU A 66 -2.853 9.268 1.098 1.00 32.32 H new ATOM 0 HD21 LEU A 66 -4.976 7.319 -0.015 1.00 44.32 H new ATOM 0 HD22 LEU A 66 -5.061 9.083 -0.234 1.00 44.32 H new ATOM 0 HD23 LEU A 66 -5.106 8.007 -1.651 1.00 44.32 H new ATOM 1045 N LYS A 67 -3.388 11.790 -3.318 1.00 34.01 N ATOM 1046 CA LYS A 67 -3.220 13.081 -4.007 1.00 21.12 C ATOM 1047 C LYS A 67 -2.639 14.167 -3.084 1.00 53.11 C ATOM 1048 O LYS A 67 -2.974 14.239 -1.899 1.00 60.21 O ATOM 1049 CB LYS A 67 -4.571 13.548 -4.575 1.00 12.54 C ATOM 1050 CG LYS A 67 -5.726 13.477 -3.573 1.00 5.33 C ATOM 1051 CD LYS A 67 -7.009 14.090 -4.132 1.00 12.51 C ATOM 1052 CE LYS A 67 -6.945 15.614 -4.167 1.00 13.31 C ATOM 1053 NZ LYS A 67 -6.982 16.208 -2.800 1.00 73.14 N ATOM 0 H LYS A 67 -3.871 11.854 -2.422 1.00 34.01 H new ATOM 0 HA LYS A 67 -2.507 12.927 -4.817 1.00 21.12 H new ATOM 0 HB2 LYS A 67 -4.470 14.575 -4.926 1.00 12.54 H new ATOM 0 HB3 LYS A 67 -4.819 12.938 -5.443 1.00 12.54 H new ATOM 0 HG2 LYS A 67 -5.909 12.437 -3.304 1.00 5.33 H new ATOM 0 HG3 LYS A 67 -5.444 13.998 -2.658 1.00 5.33 H new ATOM 0 HD2 LYS A 67 -7.183 13.711 -5.139 1.00 12.51 H new ATOM 0 HD3 LYS A 67 -7.856 13.776 -3.522 1.00 12.51 H new ATOM 0 HE2 LYS A 67 -6.032 15.927 -4.673 1.00 13.31 H new ATOM 0 HE3 LYS A 67 -7.781 15.998 -4.752 1.00 13.31 H new ATOM 0 HZ1 LYS A 67 -7.158 17.231 -2.870 1.00 73.14 H new ATOM 0 HZ2 LYS A 67 -7.743 15.763 -2.249 1.00 73.14 H new ATOM 0 HZ3 LYS A 67 -6.071 16.045 -2.326 1.00 73.14 H new ATOM 1067 N GLY A 68 -1.768 15.009 -3.648 1.00 54.53 N ATOM 1068 CA GLY A 68 -1.190 16.137 -2.915 1.00 61.32 C ATOM 1069 C GLY A 68 -0.628 15.767 -1.545 1.00 61.43 C ATOM 1070 O GLY A 68 0.217 14.882 -1.433 1.00 31.11 O ATOM 0 H GLY A 68 -1.447 14.929 -4.613 1.00 54.53 H new ATOM 0 HA2 GLY A 68 -0.394 16.577 -3.516 1.00 61.32 H new ATOM 0 HA3 GLY A 68 -1.954 16.904 -2.787 1.00 61.32 H new ATOM 1074 N ARG A 69 -1.112 16.451 -0.504 1.00 72.22 N ATOM 1075 CA ARG A 69 -0.712 16.179 0.890 1.00 30.24 C ATOM 1076 C ARG A 69 -0.663 14.670 1.168 1.00 61.34 C ATOM 1077 O ARG A 69 0.338 14.129 1.639 1.00 24.05 O ATOM 1078 CB ARG A 69 -1.738 16.786 1.857 1.00 50.14 C ATOM 1079 CG ARG A 69 -2.277 18.153 1.454 1.00 23.45 C ATOM 1080 CD ARG A 69 -3.610 18.429 2.140 1.00 33.44 C ATOM 1081 NE ARG A 69 -4.519 17.287 1.997 1.00 4.24 N ATOM 1082 CZ ARG A 69 -5.746 17.258 2.424 1.00 44.32 C ATOM 1083 NH1 ARG A 69 -6.286 18.303 2.963 1.00 12.33 N ATOM 1084 NH2 ARG A 69 -6.436 16.172 2.303 1.00 52.42 N ATOM 0 H ARG A 69 -1.790 17.207 -0.598 1.00 72.22 H new ATOM 0 HA ARG A 69 0.275 16.618 1.035 1.00 30.24 H new ATOM 0 HB2 ARG A 69 -2.576 16.096 1.953 1.00 50.14 H new ATOM 0 HB3 ARG A 69 -1.280 16.870 2.843 1.00 50.14 H new ATOM 0 HG2 ARG A 69 -1.557 18.927 1.722 1.00 23.45 H new ATOM 0 HG3 ARG A 69 -2.403 18.195 0.372 1.00 23.45 H new ATOM 0 HD2 ARG A 69 -3.443 18.636 3.197 1.00 33.44 H new ATOM 0 HD3 ARG A 69 -4.068 19.319 1.709 1.00 33.44 H new ATOM 0 HE ARG A 69 -4.162 16.455 1.528 1.00 4.24 H new ATOM 0 HH11 ARG A 69 -5.748 19.164 3.057 1.00 12.33 H new ATOM 0 HH12 ARG A 69 -7.250 18.266 3.294 1.00 12.33 H new ATOM 0 HH21 ARG A 69 -6.017 15.346 1.875 1.00 52.42 H new ATOM 0 HH22 ARG A 69 -7.400 16.140 2.635 1.00 52.42 H new ATOM 1098 N ASP A 70 -1.780 14.010 0.866 1.00 72.42 N ATOM 1099 CA ASP A 70 -1.952 12.586 1.123 1.00 64.43 C ATOM 1100 C ASP A 70 -0.960 11.740 0.302 1.00 71.42 C ATOM 1101 O ASP A 70 -0.475 10.704 0.766 1.00 3.24 O ATOM 1102 CB ASP A 70 -3.403 12.203 0.813 1.00 40.32 C ATOM 1103 CG ASP A 70 -4.391 13.132 1.512 1.00 3.24 C ATOM 1104 OD1 ASP A 70 -4.637 14.250 0.995 1.00 52.44 O ATOM 1105 OD2 ASP A 70 -4.920 12.761 2.579 1.00 64.23 O ATOM 0 H ASP A 70 -2.592 14.452 0.435 1.00 72.42 H new ATOM 0 HA ASP A 70 -1.739 12.381 2.172 1.00 64.43 H new ATOM 0 HB2 ASP A 70 -3.567 12.240 -0.264 1.00 40.32 H new ATOM 0 HB3 ASP A 70 -3.584 11.175 1.128 1.00 40.32 H new ATOM 1110 N LEU A 71 -0.641 12.196 -0.910 1.00 4.15 N ATOM 1111 CA LEU A 71 0.369 11.532 -1.743 1.00 75.03 C ATOM 1112 C LEU A 71 1.739 11.610 -1.050 1.00 52.45 C ATOM 1113 O LEU A 71 2.436 10.603 -0.899 1.00 52.34 O ATOM 1114 CB LEU A 71 0.417 12.182 -3.143 1.00 42.13 C ATOM 1115 CG LEU A 71 1.167 11.398 -4.248 1.00 0.33 C ATOM 1116 CD1 LEU A 71 0.824 11.956 -5.629 1.00 30.14 C ATOM 1117 CD2 LEU A 71 2.683 11.425 -4.036 1.00 33.45 C ATOM 0 H LEU A 71 -1.064 13.019 -1.338 1.00 4.15 H new ATOM 0 HA LEU A 71 0.103 10.483 -1.870 1.00 75.03 H new ATOM 0 HB2 LEU A 71 -0.607 12.346 -3.478 1.00 42.13 H new ATOM 0 HB3 LEU A 71 0.882 13.163 -3.047 1.00 42.13 H new ATOM 0 HG LEU A 71 0.838 10.360 -4.188 1.00 0.33 H new ATOM 0 HD11 LEU A 71 1.360 11.393 -6.393 1.00 30.14 H new ATOM 0 HD12 LEU A 71 -0.249 11.869 -5.800 1.00 30.14 H new ATOM 0 HD13 LEU A 71 1.116 13.005 -5.680 1.00 30.14 H new ATOM 0 HD21 LEU A 71 3.172 10.864 -4.832 1.00 33.45 H new ATOM 0 HD22 LEU A 71 3.034 12.457 -4.051 1.00 33.45 H new ATOM 0 HD23 LEU A 71 2.924 10.974 -3.074 1.00 33.45 H new ATOM 1129 N ASP A 72 2.100 12.816 -0.610 1.00 4.22 N ATOM 1130 CA ASP A 72 3.346 13.041 0.126 1.00 13.21 C ATOM 1131 C ASP A 72 3.363 12.298 1.477 1.00 50.30 C ATOM 1132 O ASP A 72 4.430 12.086 2.054 1.00 0.32 O ATOM 1133 CB ASP A 72 3.573 14.543 0.329 1.00 11.13 C ATOM 1134 CG ASP A 72 3.950 15.246 -0.966 1.00 34.32 C ATOM 1135 OD1 ASP A 72 3.056 15.515 -1.791 1.00 55.24 O ATOM 1136 OD2 ASP A 72 5.154 15.520 -1.170 1.00 35.10 O ATOM 0 H ASP A 72 1.543 13.658 -0.752 1.00 4.22 H new ATOM 0 HA ASP A 72 4.162 12.634 -0.471 1.00 13.21 H new ATOM 0 HB2 ASP A 72 2.668 14.994 0.735 1.00 11.13 H new ATOM 0 HB3 ASP A 72 4.362 14.693 1.065 1.00 11.13 H new ATOM 1141 N ARG A 73 2.183 11.913 1.981 1.00 40.25 N ATOM 1142 CA ARG A 73 2.092 11.058 3.178 1.00 14.23 C ATOM 1143 C ARG A 73 2.647 9.654 2.893 1.00 72.32 C ATOM 1144 O ARG A 73 3.592 9.199 3.544 1.00 52.03 O ATOM 1145 CB ARG A 73 0.640 10.937 3.665 1.00 24.04 C ATOM 1146 CG ARG A 73 0.064 12.212 4.267 1.00 14.43 C ATOM 1147 CD ARG A 73 0.840 12.659 5.498 1.00 43.11 C ATOM 1148 NE ARG A 73 0.232 13.823 6.134 1.00 34.01 N ATOM 1149 CZ ARG A 73 0.774 14.484 7.120 1.00 14.42 C ATOM 1150 NH1 ARG A 73 1.916 14.115 7.610 1.00 11.35 N ATOM 1151 NH2 ARG A 73 0.168 15.510 7.619 1.00 50.32 N ATOM 0 H ARG A 73 1.282 12.177 1.583 1.00 40.25 H new ATOM 0 HA ARG A 73 2.690 11.530 3.957 1.00 14.23 H new ATOM 0 HB2 ARG A 73 0.014 10.632 2.827 1.00 24.04 H new ATOM 0 HB3 ARG A 73 0.585 10.143 4.409 1.00 24.04 H new ATOM 0 HG2 ARG A 73 0.080 13.006 3.520 1.00 14.43 H new ATOM 0 HG3 ARG A 73 -0.980 12.048 4.535 1.00 14.43 H new ATOM 0 HD2 ARG A 73 0.888 11.838 6.214 1.00 43.11 H new ATOM 0 HD3 ARG A 73 1.866 12.895 5.214 1.00 43.11 H new ATOM 0 HE ARG A 73 -0.673 14.140 5.786 1.00 34.01 H new ATOM 0 HH11 ARG A 73 2.398 13.303 7.225 1.00 11.35 H new ATOM 0 HH12 ARG A 73 2.333 14.637 8.381 1.00 11.35 H new ATOM 0 HH21 ARG A 73 -0.734 15.803 7.242 1.00 50.32 H new ATOM 0 HH22 ARG A 73 0.591 16.027 8.390 1.00 50.32 H new ATOM 1165 N GLN A 74 2.053 8.965 1.923 1.00 71.15 N ATOM 1166 CA GLN A 74 2.541 7.643 1.523 1.00 44.11 C ATOM 1167 C GLN A 74 4.005 7.735 1.056 1.00 2.41 C ATOM 1168 O GLN A 74 4.825 6.873 1.371 1.00 54.14 O ATOM 1169 CB GLN A 74 1.641 7.047 0.427 1.00 74.11 C ATOM 1170 CG GLN A 74 2.076 5.661 -0.057 1.00 61.21 C ATOM 1171 CD GLN A 74 0.983 4.921 -0.820 1.00 24.34 C ATOM 1172 OE1 GLN A 74 0.123 5.523 -1.450 1.00 54.25 O ATOM 1173 NE2 GLN A 74 1.017 3.605 -0.778 1.00 13.35 N ATOM 0 H GLN A 74 1.240 9.294 1.402 1.00 71.15 H new ATOM 0 HA GLN A 74 2.503 6.976 2.384 1.00 44.11 H new ATOM 0 HB2 GLN A 74 0.621 6.984 0.805 1.00 74.11 H new ATOM 0 HB3 GLN A 74 1.624 7.728 -0.424 1.00 74.11 H new ATOM 0 HG2 GLN A 74 2.951 5.765 -0.699 1.00 61.21 H new ATOM 0 HG3 GLN A 74 2.380 5.062 0.802 1.00 61.21 H new ATOM 0 HE21 GLN A 74 1.746 3.130 -0.245 1.00 13.35 H new ATOM 0 HE22 GLN A 74 0.315 3.060 -1.279 1.00 13.35 H new ATOM 1182 N LYS A 75 4.324 8.815 0.342 1.00 33.12 N ATOM 1183 CA LYS A 75 5.691 9.075 -0.126 1.00 51.34 C ATOM 1184 C LYS A 75 6.695 9.184 1.039 1.00 24.04 C ATOM 1185 O LYS A 75 7.680 8.448 1.082 1.00 65.43 O ATOM 1186 CB LYS A 75 5.725 10.368 -0.954 1.00 15.01 C ATOM 1187 CG LYS A 75 7.103 10.710 -1.517 1.00 4.11 C ATOM 1188 CD LYS A 75 7.129 12.101 -2.144 1.00 12.13 C ATOM 1189 CE LYS A 75 8.511 12.456 -2.679 1.00 4.31 C ATOM 1190 NZ LYS A 75 8.591 13.875 -3.111 1.00 11.45 N ATOM 0 H LYS A 75 3.650 9.531 0.072 1.00 33.12 H new ATOM 0 HA LYS A 75 5.988 8.227 -0.743 1.00 51.34 H new ATOM 0 HB2 LYS A 75 5.019 10.277 -1.780 1.00 15.01 H new ATOM 0 HB3 LYS A 75 5.383 11.195 -0.332 1.00 15.01 H new ATOM 0 HG2 LYS A 75 7.845 10.656 -0.720 1.00 4.11 H new ATOM 0 HG3 LYS A 75 7.384 9.969 -2.265 1.00 4.11 H new ATOM 0 HD2 LYS A 75 6.402 12.147 -2.955 1.00 12.13 H new ATOM 0 HD3 LYS A 75 6.826 12.840 -1.402 1.00 12.13 H new ATOM 0 HE2 LYS A 75 9.258 12.269 -1.907 1.00 4.31 H new ATOM 0 HE3 LYS A 75 8.752 11.806 -3.520 1.00 4.31 H new ATOM 0 HZ1 LYS A 75 9.547 14.076 -3.468 1.00 11.45 H new ATOM 0 HZ2 LYS A 75 7.896 14.048 -3.865 1.00 11.45 H new ATOM 0 HZ3 LYS A 75 8.386 14.496 -2.302 1.00 11.45 H new ATOM 1204 N GLN A 76 6.442 10.103 1.984 1.00 3.10 N ATOM 1205 CA GLN A 76 7.372 10.350 3.104 1.00 24.45 C ATOM 1206 C GLN A 76 7.693 9.059 3.868 1.00 21.11 C ATOM 1207 O GLN A 76 8.818 8.859 4.327 1.00 0.52 O ATOM 1208 CB GLN A 76 6.801 11.398 4.082 1.00 5.00 C ATOM 1209 CG GLN A 76 5.552 10.937 4.829 1.00 3.31 C ATOM 1210 CD GLN A 76 5.012 11.963 5.811 1.00 20.32 C ATOM 1211 OE1 GLN A 76 4.185 12.802 5.468 1.00 43.13 O ATOM 1212 NE2 GLN A 76 5.467 11.898 7.044 1.00 74.31 N ATOM 0 H GLN A 76 5.606 10.687 1.998 1.00 3.10 H new ATOM 0 HA GLN A 76 8.294 10.735 2.668 1.00 24.45 H new ATOM 0 HB2 GLN A 76 7.571 11.659 4.809 1.00 5.00 H new ATOM 0 HB3 GLN A 76 6.565 12.306 3.528 1.00 5.00 H new ATOM 0 HG2 GLN A 76 4.774 10.697 4.104 1.00 3.31 H new ATOM 0 HG3 GLN A 76 5.781 10.017 5.368 1.00 3.31 H new ATOM 0 HE21 GLN A 76 6.155 11.188 7.297 1.00 74.31 H new ATOM 0 HE22 GLN A 76 5.132 12.557 7.747 1.00 74.31 H new ATOM 1221 N LYS A 77 6.695 8.187 4.005 1.00 73.52 N ATOM 1222 CA LYS A 77 6.889 6.895 4.666 1.00 10.44 C ATOM 1223 C LYS A 77 7.802 5.979 3.839 1.00 32.01 C ATOM 1224 O LYS A 77 8.766 5.415 4.354 1.00 63.05 O ATOM 1225 CB LYS A 77 5.535 6.221 4.904 1.00 32.02 C ATOM 1226 CG LYS A 77 4.585 7.048 5.760 1.00 11.04 C ATOM 1227 CD LYS A 77 5.199 7.367 7.117 1.00 53.40 C ATOM 1228 CE LYS A 77 4.368 8.376 7.894 1.00 75.53 C ATOM 1229 NZ LYS A 77 5.022 8.762 9.171 1.00 21.33 N ATOM 0 H LYS A 77 5.746 8.350 3.668 1.00 73.52 H new ATOM 0 HA LYS A 77 7.374 7.073 5.626 1.00 10.44 H new ATOM 0 HB2 LYS A 77 5.064 6.022 3.942 1.00 32.02 H new ATOM 0 HB3 LYS A 77 5.698 5.257 5.385 1.00 32.02 H new ATOM 0 HG2 LYS A 77 4.339 7.975 5.242 1.00 11.04 H new ATOM 0 HG3 LYS A 77 3.651 6.504 5.900 1.00 11.04 H new ATOM 0 HD2 LYS A 77 5.292 6.449 7.698 1.00 53.40 H new ATOM 0 HD3 LYS A 77 6.207 7.758 6.976 1.00 53.40 H new ATOM 0 HE2 LYS A 77 4.211 9.265 7.283 1.00 75.53 H new ATOM 0 HE3 LYS A 77 3.385 7.954 8.102 1.00 75.53 H new ATOM 0 HZ1 LYS A 77 4.315 8.773 9.934 1.00 21.33 H new ATOM 0 HZ2 LYS A 77 5.768 8.075 9.401 1.00 21.33 H new ATOM 0 HZ3 LYS A 77 5.442 9.709 9.074 1.00 21.33 H new ATOM 1243 N LEU A 78 7.497 5.853 2.549 1.00 62.34 N ATOM 1244 CA LEU A 78 8.290 5.024 1.636 1.00 3.24 C ATOM 1245 C LEU A 78 9.758 5.480 1.597 1.00 14.01 C ATOM 1246 O LEU A 78 10.677 4.662 1.668 1.00 12.52 O ATOM 1247 CB LEU A 78 7.682 5.080 0.231 1.00 73.22 C ATOM 1248 CG LEU A 78 6.244 4.551 0.123 1.00 25.15 C ATOM 1249 CD1 LEU A 78 5.636 4.920 -1.224 1.00 45.30 C ATOM 1250 CD2 LEU A 78 6.205 3.039 0.340 1.00 55.43 C ATOM 0 H LEU A 78 6.702 6.316 2.108 1.00 62.34 H new ATOM 0 HA LEU A 78 8.271 3.997 2.001 1.00 3.24 H new ATOM 0 HB2 LEU A 78 7.700 6.113 -0.115 1.00 73.22 H new ATOM 0 HB3 LEU A 78 8.316 4.507 -0.446 1.00 73.22 H new ATOM 0 HG LEU A 78 5.648 5.020 0.906 1.00 25.15 H new ATOM 0 HD11 LEU A 78 4.617 4.536 -1.281 1.00 45.30 H new ATOM 0 HD12 LEU A 78 5.622 6.005 -1.332 1.00 45.30 H new ATOM 0 HD13 LEU A 78 6.233 4.484 -2.025 1.00 45.30 H new ATOM 0 HD21 LEU A 78 5.177 2.686 0.259 1.00 55.43 H new ATOM 0 HD22 LEU A 78 6.818 2.547 -0.415 1.00 55.43 H new ATOM 0 HD23 LEU A 78 6.592 2.804 1.331 1.00 55.43 H new ATOM 1262 N GLU A 79 9.971 6.791 1.496 1.00 43.43 N ATOM 1263 CA GLU A 79 11.326 7.354 1.510 1.00 73.25 C ATOM 1264 C GLU A 79 12.026 7.071 2.850 1.00 51.30 C ATOM 1265 O GLU A 79 13.208 6.732 2.883 1.00 42.41 O ATOM 1266 CB GLU A 79 11.290 8.865 1.234 1.00 52.23 C ATOM 1267 CG GLU A 79 10.643 9.229 -0.101 1.00 64.43 C ATOM 1268 CD GLU A 79 10.764 10.710 -0.434 1.00 52.15 C ATOM 1269 OE1 GLU A 79 10.082 11.530 0.216 1.00 24.52 O ATOM 1270 OE2 GLU A 79 11.543 11.059 -1.349 1.00 73.11 O ATOM 0 H GLU A 79 9.228 7.483 1.404 1.00 43.43 H new ATOM 0 HA GLU A 79 11.897 6.871 0.717 1.00 73.25 H new ATOM 0 HB2 GLU A 79 10.746 9.360 2.038 1.00 52.23 H new ATOM 0 HB3 GLU A 79 12.308 9.253 1.252 1.00 52.23 H new ATOM 0 HG2 GLU A 79 11.107 8.644 -0.895 1.00 64.43 H new ATOM 0 HG3 GLU A 79 9.589 8.952 -0.076 1.00 64.43 H new ATOM 1277 N ALA A 80 11.280 7.194 3.952 1.00 62.04 N ATOM 1278 CA ALA A 80 11.801 6.853 5.286 1.00 24.24 C ATOM 1279 C ALA A 80 12.156 5.358 5.380 1.00 2.12 C ATOM 1280 O ALA A 80 12.971 4.947 6.208 1.00 53.12 O ATOM 1281 CB ALA A 80 10.783 7.224 6.361 1.00 40.32 C ATOM 0 H ALA A 80 10.316 7.526 3.951 1.00 62.04 H new ATOM 0 HA ALA A 80 12.714 7.426 5.449 1.00 24.24 H new ATOM 0 HB1 ALA A 80 11.180 6.967 7.343 1.00 40.32 H new ATOM 0 HB2 ALA A 80 10.584 8.295 6.319 1.00 40.32 H new ATOM 0 HB3 ALA A 80 9.857 6.676 6.190 1.00 40.32 H new ATOM 1287 N GLU A 81 11.526 4.554 4.526 1.00 63.15 N ATOM 1288 CA GLU A 81 11.826 3.121 4.417 1.00 13.22 C ATOM 1289 C GLU A 81 13.079 2.870 3.565 1.00 12.31 C ATOM 1290 O GLU A 81 13.734 1.833 3.693 1.00 12.44 O ATOM 1291 CB GLU A 81 10.633 2.392 3.782 1.00 22.22 C ATOM 1292 CG GLU A 81 9.384 2.356 4.652 1.00 54.50 C ATOM 1293 CD GLU A 81 9.503 1.363 5.791 1.00 43.00 C ATOM 1294 OE1 GLU A 81 9.596 0.153 5.501 1.00 71.14 O ATOM 1295 OE2 GLU A 81 9.493 1.775 6.970 1.00 52.33 O ATOM 0 H GLU A 81 10.795 4.873 3.890 1.00 63.15 H new ATOM 0 HA GLU A 81 12.012 2.741 5.422 1.00 13.22 H new ATOM 0 HB2 GLU A 81 10.389 2.875 2.836 1.00 22.22 H new ATOM 0 HB3 GLU A 81 10.929 1.369 3.550 1.00 22.22 H new ATOM 0 HG2 GLU A 81 9.198 3.350 5.058 1.00 54.50 H new ATOM 0 HG3 GLU A 81 8.523 2.097 4.036 1.00 54.50 H new ATOM 1302 N GLY A 82 13.404 3.827 2.702 1.00 51.50 N ATOM 1303 CA GLY A 82 14.499 3.656 1.753 1.00 65.13 C ATOM 1304 C GLY A 82 14.024 3.126 0.403 1.00 3.52 C ATOM 1305 O GLY A 82 14.827 2.677 -0.416 1.00 64.33 O ATOM 0 H GLY A 82 12.927 4.726 2.640 1.00 51.50 H new ATOM 0 HA2 GLY A 82 15.002 4.612 1.608 1.00 65.13 H new ATOM 0 HA3 GLY A 82 15.234 2.969 2.171 1.00 65.13 H new ATOM 1309 N ILE A 83 12.713 3.189 0.173 1.00 5.43 N ATOM 1310 CA ILE A 83 12.109 2.717 -1.076 1.00 22.10 C ATOM 1311 C ILE A 83 12.206 3.791 -2.177 1.00 23.23 C ATOM 1312 O ILE A 83 11.851 4.950 -1.959 1.00 63.51 O ATOM 1313 CB ILE A 83 10.623 2.324 -0.848 1.00 32.14 C ATOM 1314 CG1 ILE A 83 10.527 1.202 0.206 1.00 2.21 C ATOM 1315 CG2 ILE A 83 9.959 1.897 -2.159 1.00 51.01 C ATOM 1316 CD1 ILE A 83 9.108 0.812 0.577 1.00 31.24 C ATOM 0 H ILE A 83 12.042 3.566 0.842 1.00 5.43 H new ATOM 0 HA ILE A 83 12.662 1.837 -1.403 1.00 22.10 H new ATOM 0 HB ILE A 83 10.089 3.199 -0.477 1.00 32.14 H new ATOM 0 HG12 ILE A 83 11.047 0.321 -0.170 1.00 2.21 H new ATOM 0 HG13 ILE A 83 11.051 1.521 1.107 1.00 2.21 H new ATOM 0 HG21 ILE A 83 8.920 1.627 -1.970 1.00 51.01 H new ATOM 0 HG22 ILE A 83 9.996 2.721 -2.871 1.00 51.01 H new ATOM 0 HG23 ILE A 83 10.487 1.037 -2.571 1.00 51.01 H new ATOM 0 HD11 ILE A 83 9.132 0.018 1.323 1.00 31.24 H new ATOM 0 HD12 ILE A 83 8.588 1.678 0.986 1.00 31.24 H new ATOM 0 HD13 ILE A 83 8.583 0.460 -0.311 1.00 31.24 H new ATOM 1328 N GLU A 84 12.693 3.398 -3.355 1.00 50.30 N ATOM 1329 CA GLU A 84 12.877 4.336 -4.470 1.00 70.13 C ATOM 1330 C GLU A 84 11.539 4.863 -5.009 1.00 74.13 C ATOM 1331 O GLU A 84 10.905 4.244 -5.871 1.00 35.44 O ATOM 1332 CB GLU A 84 13.660 3.674 -5.611 1.00 41.20 C ATOM 1333 CG GLU A 84 15.054 3.207 -5.218 1.00 52.53 C ATOM 1334 CD GLU A 84 15.817 2.609 -6.387 1.00 12.45 C ATOM 1335 OE1 GLU A 84 15.419 1.533 -6.875 1.00 1.32 O ATOM 1336 OE2 GLU A 84 16.818 3.216 -6.826 1.00 51.43 O ATOM 0 H GLU A 84 12.968 2.438 -3.564 1.00 50.30 H new ATOM 0 HA GLU A 84 13.443 5.182 -4.080 1.00 70.13 H new ATOM 0 HB2 GLU A 84 13.092 2.819 -5.979 1.00 41.20 H new ATOM 0 HB3 GLU A 84 13.744 4.380 -6.437 1.00 41.20 H new ATOM 0 HG2 GLU A 84 15.616 4.049 -4.814 1.00 52.53 H new ATOM 0 HG3 GLU A 84 14.975 2.466 -4.423 1.00 52.53 H new ATOM 1343 N VAL A 85 11.109 6.004 -4.480 1.00 1.21 N ATOM 1344 CA VAL A 85 9.909 6.687 -4.965 1.00 10.04 C ATOM 1345 C VAL A 85 10.259 7.687 -6.076 1.00 33.52 C ATOM 1346 O VAL A 85 10.965 8.672 -5.840 1.00 73.03 O ATOM 1347 CB VAL A 85 9.187 7.440 -3.817 1.00 30.24 C ATOM 1348 CG1 VAL A 85 7.916 8.125 -4.324 1.00 3.44 C ATOM 1349 CG2 VAL A 85 8.874 6.488 -2.666 1.00 13.15 C ATOM 0 H VAL A 85 11.577 6.480 -3.709 1.00 1.21 H new ATOM 0 HA VAL A 85 9.243 5.921 -5.363 1.00 10.04 H new ATOM 0 HB VAL A 85 9.856 8.216 -3.445 1.00 30.24 H new ATOM 0 HG11 VAL A 85 7.429 8.645 -3.499 1.00 3.44 H new ATOM 0 HG12 VAL A 85 8.175 8.842 -5.103 1.00 3.44 H new ATOM 0 HG13 VAL A 85 7.237 7.376 -4.732 1.00 3.44 H new ATOM 0 HG21 VAL A 85 8.368 7.034 -1.870 1.00 13.15 H new ATOM 0 HG22 VAL A 85 8.229 5.685 -3.023 1.00 13.15 H new ATOM 0 HG23 VAL A 85 9.802 6.064 -2.282 1.00 13.15 H new ATOM 1359 N SER A 86 9.787 7.415 -7.290 1.00 12.53 N ATOM 1360 CA SER A 86 9.949 8.346 -8.414 1.00 4.13 C ATOM 1361 C SER A 86 9.156 9.637 -8.178 1.00 45.45 C ATOM 1362 O SER A 86 8.037 9.599 -7.656 1.00 53.31 O ATOM 1363 CB SER A 86 9.502 7.698 -9.730 1.00 74.35 C ATOM 1364 OG SER A 86 9.577 8.615 -10.815 1.00 23.11 O ATOM 0 H SER A 86 9.288 6.557 -7.525 1.00 12.53 H new ATOM 0 HA SER A 86 11.008 8.593 -8.484 1.00 4.13 H new ATOM 0 HB2 SER A 86 10.128 6.831 -9.941 1.00 74.35 H new ATOM 0 HB3 SER A 86 8.479 7.335 -9.629 1.00 74.35 H new ATOM 0 HG SER A 86 9.287 8.171 -11.639 1.00 23.11 H new ATOM 1370 N GLU A 87 9.748 10.763 -8.592 1.00 11.30 N ATOM 1371 CA GLU A 87 9.203 12.115 -8.360 1.00 65.33 C ATOM 1372 C GLU A 87 7.679 12.216 -8.585 1.00 13.23 C ATOM 1373 O GLU A 87 6.968 12.834 -7.794 1.00 30.12 O ATOM 1374 CB GLU A 87 9.936 13.115 -9.269 1.00 22.40 C ATOM 1375 CG GLU A 87 9.823 12.790 -10.758 1.00 54.13 C ATOM 1376 CD GLU A 87 10.737 13.643 -11.625 1.00 51.43 C ATOM 1377 OE1 GLU A 87 10.322 14.743 -12.046 1.00 60.21 O ATOM 1378 OE2 GLU A 87 11.879 13.206 -11.899 1.00 61.22 O ATOM 0 H GLU A 87 10.630 10.766 -9.104 1.00 11.30 H new ATOM 0 HA GLU A 87 9.369 12.350 -7.309 1.00 65.33 H new ATOM 0 HB2 GLU A 87 9.536 14.113 -9.093 1.00 22.40 H new ATOM 0 HB3 GLU A 87 10.990 13.140 -8.991 1.00 22.40 H new ATOM 0 HG2 GLU A 87 10.062 11.738 -10.914 1.00 54.13 H new ATOM 0 HG3 GLU A 87 8.791 12.933 -11.078 1.00 54.13 H new ATOM 1385 N ILE A 88 7.182 11.595 -9.653 1.00 65.11 N ATOM 1386 CA ILE A 88 5.751 11.651 -9.989 1.00 23.43 C ATOM 1387 C ILE A 88 4.915 10.623 -9.190 1.00 15.53 C ATOM 1388 O ILE A 88 3.806 10.249 -9.591 1.00 45.10 O ATOM 1389 CB ILE A 88 5.530 11.474 -11.523 1.00 74.02 C ATOM 1390 CG1 ILE A 88 6.275 10.235 -12.077 1.00 41.24 C ATOM 1391 CG2 ILE A 88 5.969 12.736 -12.265 1.00 72.51 C ATOM 1392 CD1 ILE A 88 5.560 8.918 -11.853 1.00 70.41 C ATOM 0 H ILE A 88 7.744 11.046 -10.303 1.00 65.11 H new ATOM 0 HA ILE A 88 5.398 12.641 -9.700 1.00 23.43 H new ATOM 0 HB ILE A 88 4.465 11.311 -11.687 1.00 74.02 H new ATOM 0 HG12 ILE A 88 6.433 10.370 -13.147 1.00 41.24 H new ATOM 0 HG13 ILE A 88 7.260 10.182 -11.614 1.00 41.24 H new ATOM 0 HG21 ILE A 88 5.811 12.602 -13.335 1.00 72.51 H new ATOM 0 HG22 ILE A 88 5.384 13.586 -11.915 1.00 72.51 H new ATOM 0 HG23 ILE A 88 7.026 12.921 -12.075 1.00 72.51 H new ATOM 0 HD11 ILE A 88 6.153 8.106 -12.273 1.00 70.41 H new ATOM 0 HD12 ILE A 88 5.426 8.754 -10.784 1.00 70.41 H new ATOM 0 HD13 ILE A 88 4.586 8.945 -12.341 1.00 70.41 H new ATOM 1404 N GLY A 89 5.442 10.192 -8.045 1.00 40.34 N ATOM 1405 CA GLY A 89 4.742 9.240 -7.189 1.00 33.31 C ATOM 1406 C GLY A 89 4.645 7.842 -7.792 1.00 52.24 C ATOM 1407 O GLY A 89 3.543 7.316 -7.982 1.00 43.33 O ATOM 0 H GLY A 89 6.351 10.488 -7.690 1.00 40.34 H new ATOM 0 HA2 GLY A 89 5.256 9.179 -6.230 1.00 33.31 H new ATOM 0 HA3 GLY A 89 3.737 9.612 -6.990 1.00 33.31 H new ATOM 1411 N LYS A 90 5.793 7.241 -8.103 1.00 72.55 N ATOM 1412 CA LYS A 90 5.830 5.884 -8.674 1.00 42.13 C ATOM 1413 C LYS A 90 6.857 5.001 -7.946 1.00 24.20 C ATOM 1414 O LYS A 90 7.863 5.492 -7.444 1.00 41.15 O ATOM 1415 CB LYS A 90 6.159 5.964 -10.170 1.00 1.32 C ATOM 1416 CG LYS A 90 5.979 4.656 -10.935 1.00 71.34 C ATOM 1417 CD LYS A 90 6.195 4.856 -12.433 1.00 43.22 C ATOM 1418 CE LYS A 90 5.879 3.601 -13.236 1.00 22.32 C ATOM 1419 NZ LYS A 90 6.043 3.832 -14.696 1.00 13.43 N ATOM 0 H LYS A 90 6.711 7.666 -7.972 1.00 72.55 H new ATOM 0 HA LYS A 90 4.849 5.427 -8.543 1.00 42.13 H new ATOM 0 HB2 LYS A 90 5.527 6.726 -10.627 1.00 1.32 H new ATOM 0 HB3 LYS A 90 7.191 6.296 -10.284 1.00 1.32 H new ATOM 0 HG2 LYS A 90 6.683 3.913 -10.560 1.00 71.34 H new ATOM 0 HG3 LYS A 90 4.977 4.264 -10.759 1.00 71.34 H new ATOM 0 HD2 LYS A 90 5.567 5.676 -12.782 1.00 43.22 H new ATOM 0 HD3 LYS A 90 7.230 5.149 -12.613 1.00 43.22 H new ATOM 0 HE2 LYS A 90 6.535 2.790 -12.919 1.00 22.32 H new ATOM 0 HE3 LYS A 90 4.857 3.283 -13.029 1.00 22.32 H new ATOM 0 HZ1 LYS A 90 5.820 2.958 -15.213 1.00 13.43 H new ATOM 0 HZ2 LYS A 90 5.399 4.589 -15.002 1.00 13.43 H new ATOM 0 HZ3 LYS A 90 7.025 4.111 -14.895 1.00 13.43 H new ATOM 1433 N ILE A 91 6.598 3.695 -7.894 1.00 4.42 N ATOM 1434 CA ILE A 91 7.469 2.754 -7.172 1.00 11.43 C ATOM 1435 C ILE A 91 7.937 1.607 -8.085 1.00 31.31 C ATOM 1436 O ILE A 91 7.240 1.225 -9.030 1.00 35.32 O ATOM 1437 CB ILE A 91 6.729 2.157 -5.944 1.00 61.11 C ATOM 1438 CG1 ILE A 91 6.187 3.285 -5.046 1.00 23.13 C ATOM 1439 CG2 ILE A 91 7.646 1.228 -5.143 1.00 3.32 C ATOM 1440 CD1 ILE A 91 5.388 2.795 -3.853 1.00 74.22 C ATOM 0 H ILE A 91 5.792 3.259 -8.342 1.00 4.42 H new ATOM 0 HA ILE A 91 8.342 3.314 -6.837 1.00 11.43 H new ATOM 0 HB ILE A 91 5.890 1.565 -6.310 1.00 61.11 H new ATOM 0 HG12 ILE A 91 7.024 3.884 -4.688 1.00 23.13 H new ATOM 0 HG13 ILE A 91 5.558 3.942 -5.646 1.00 23.13 H new ATOM 0 HG21 ILE A 91 7.100 0.825 -4.290 1.00 3.32 H new ATOM 0 HG22 ILE A 91 7.980 0.409 -5.780 1.00 3.32 H new ATOM 0 HG23 ILE A 91 8.511 1.788 -4.789 1.00 3.32 H new ATOM 0 HD11 ILE A 91 5.042 3.649 -3.271 1.00 74.22 H new ATOM 0 HD12 ILE A 91 4.529 2.221 -4.201 1.00 74.22 H new ATOM 0 HD13 ILE A 91 6.018 2.162 -3.228 1.00 74.22 H new ATOM 1452 N ALA A 92 9.123 1.067 -7.809 1.00 64.32 N ATOM 1453 CA ALA A 92 9.627 -0.095 -8.547 1.00 54.12 C ATOM 1454 C ALA A 92 9.073 -1.405 -7.961 1.00 15.25 C ATOM 1455 O ALA A 92 9.653 -1.978 -7.036 1.00 52.11 O ATOM 1456 CB ALA A 92 11.152 -0.114 -8.536 1.00 42.33 C ATOM 0 H ALA A 92 9.752 1.412 -7.084 1.00 64.32 H new ATOM 0 HA ALA A 92 9.285 -0.012 -9.579 1.00 54.12 H new ATOM 0 HB1 ALA A 92 11.509 -0.983 -9.088 1.00 42.33 H new ATOM 0 HB2 ALA A 92 11.531 0.794 -9.005 1.00 42.33 H new ATOM 0 HB3 ALA A 92 11.508 -0.167 -7.507 1.00 42.33 H new ATOM 1462 N LEU A 93 7.955 -1.878 -8.509 1.00 54.24 N ATOM 1463 CA LEU A 93 7.294 -3.089 -8.007 1.00 13.41 C ATOM 1464 C LEU A 93 8.208 -4.320 -8.066 1.00 35.35 C ATOM 1465 O LEU A 93 8.457 -4.957 -7.046 1.00 23.11 O ATOM 1466 CB LEU A 93 5.995 -3.355 -8.782 1.00 75.11 C ATOM 1467 CG LEU A 93 4.817 -2.434 -8.415 1.00 13.45 C ATOM 1468 CD1 LEU A 93 3.605 -2.719 -9.299 1.00 71.43 C ATOM 1469 CD2 LEU A 93 4.455 -2.593 -6.938 1.00 31.31 C ATOM 0 H LEU A 93 7.484 -1.443 -9.302 1.00 54.24 H new ATOM 0 HA LEU A 93 7.057 -2.910 -6.958 1.00 13.41 H new ATOM 0 HB2 LEU A 93 6.198 -3.252 -9.848 1.00 75.11 H new ATOM 0 HB3 LEU A 93 5.694 -4.389 -8.613 1.00 75.11 H new ATOM 0 HG LEU A 93 5.125 -1.403 -8.588 1.00 13.45 H new ATOM 0 HD11 LEU A 93 2.787 -2.055 -9.020 1.00 71.43 H new ATOM 0 HD12 LEU A 93 3.869 -2.550 -10.343 1.00 71.43 H new ATOM 0 HD13 LEU A 93 3.293 -3.755 -9.166 1.00 71.43 H new ATOM 0 HD21 LEU A 93 3.621 -1.935 -6.695 1.00 31.31 H new ATOM 0 HD22 LEU A 93 4.171 -3.627 -6.742 1.00 31.31 H new ATOM 0 HD23 LEU A 93 5.315 -2.330 -6.322 1.00 31.31 H new ATOM 1481 N ARG A 94 8.731 -4.639 -9.248 1.00 70.01 N ATOM 1482 CA ARG A 94 9.549 -5.852 -9.431 1.00 11.31 C ATOM 1483 C ARG A 94 10.752 -5.891 -8.470 1.00 44.40 C ATOM 1484 O ARG A 94 11.325 -6.951 -8.221 1.00 13.31 O ATOM 1485 CB ARG A 94 10.042 -5.951 -10.881 1.00 12.13 C ATOM 1486 CG ARG A 94 8.920 -5.919 -11.914 1.00 52.13 C ATOM 1487 CD ARG A 94 9.437 -6.184 -13.326 1.00 22.03 C ATOM 1488 NE ARG A 94 10.494 -5.250 -13.722 1.00 44.40 N ATOM 1489 CZ ARG A 94 10.375 -4.374 -14.686 1.00 43.02 C ATOM 1490 NH1 ARG A 94 9.237 -4.199 -15.281 1.00 62.13 N ATOM 1491 NH2 ARG A 94 11.392 -3.658 -15.037 1.00 42.23 N ATOM 0 H ARG A 94 8.608 -4.082 -10.094 1.00 70.01 H new ATOM 0 HA ARG A 94 8.911 -6.706 -9.202 1.00 11.31 H new ATOM 0 HB2 ARG A 94 10.729 -5.128 -11.079 1.00 12.13 H new ATOM 0 HB3 ARG A 94 10.608 -6.875 -11.001 1.00 12.13 H new ATOM 0 HG2 ARG A 94 8.169 -6.665 -11.657 1.00 52.13 H new ATOM 0 HG3 ARG A 94 8.427 -4.947 -11.884 1.00 52.13 H new ATOM 0 HD2 ARG A 94 9.817 -7.204 -13.385 1.00 22.03 H new ATOM 0 HD3 ARG A 94 8.610 -6.111 -14.032 1.00 22.03 H new ATOM 0 HE ARG A 94 11.378 -5.285 -13.214 1.00 44.40 H new ATOM 0 HH11 ARG A 94 8.424 -4.747 -14.999 1.00 62.13 H new ATOM 0 HH12 ARG A 94 9.154 -3.513 -16.032 1.00 62.13 H new ATOM 0 HH21 ARG A 94 12.287 -3.776 -14.562 1.00 42.23 H new ATOM 0 HH22 ARG A 94 11.300 -2.975 -15.789 1.00 42.23 H new ATOM 1505 N LYS A 95 11.123 -4.730 -7.936 1.00 21.04 N ATOM 1506 CA LYS A 95 12.246 -4.622 -7.000 1.00 14.20 C ATOM 1507 C LYS A 95 11.775 -4.673 -5.532 1.00 1.35 C ATOM 1508 O LYS A 95 12.509 -5.128 -4.649 1.00 12.12 O ATOM 1509 CB LYS A 95 13.005 -3.310 -7.265 1.00 50.30 C ATOM 1510 CG LYS A 95 14.255 -3.124 -6.407 1.00 14.11 C ATOM 1511 CD LYS A 95 14.978 -1.812 -6.716 1.00 24.34 C ATOM 1512 CE LYS A 95 15.425 -1.733 -8.173 1.00 51.32 C ATOM 1513 NZ LYS A 95 16.188 -0.490 -8.457 1.00 32.32 N ATOM 0 H LYS A 95 10.660 -3.843 -8.136 1.00 21.04 H new ATOM 0 HA LYS A 95 12.906 -5.474 -7.161 1.00 14.20 H new ATOM 0 HB2 LYS A 95 13.291 -3.275 -8.316 1.00 50.30 H new ATOM 0 HB3 LYS A 95 12.330 -2.472 -7.090 1.00 50.30 H new ATOM 0 HG2 LYS A 95 13.977 -3.144 -5.353 1.00 14.11 H new ATOM 0 HG3 LYS A 95 14.935 -3.959 -6.573 1.00 14.11 H new ATOM 0 HD2 LYS A 95 14.318 -0.974 -6.494 1.00 24.34 H new ATOM 0 HD3 LYS A 95 15.847 -1.715 -6.065 1.00 24.34 H new ATOM 0 HE2 LYS A 95 16.043 -2.599 -8.410 1.00 51.32 H new ATOM 0 HE3 LYS A 95 14.551 -1.778 -8.823 1.00 51.32 H new ATOM 0 HZ1 LYS A 95 15.874 -0.090 -9.364 1.00 32.32 H new ATOM 0 HZ2 LYS A 95 16.021 0.201 -7.698 1.00 32.32 H new ATOM 0 HZ3 LYS A 95 17.203 -0.710 -8.508 1.00 32.32 H new ATOM 1527 N TYR A 96 10.547 -4.215 -5.273 1.00 33.41 N ATOM 1528 CA TYR A 96 10.030 -4.118 -3.896 1.00 71.13 C ATOM 1529 C TYR A 96 8.789 -4.995 -3.638 1.00 31.10 C ATOM 1530 O TYR A 96 8.170 -4.876 -2.582 1.00 3.03 O ATOM 1531 CB TYR A 96 9.680 -2.661 -3.567 1.00 51.51 C ATOM 1532 CG TYR A 96 10.878 -1.733 -3.506 1.00 74.22 C ATOM 1533 CD1 TYR A 96 11.696 -1.702 -2.383 1.00 30.15 C ATOM 1534 CD2 TYR A 96 11.180 -0.877 -4.561 1.00 62.42 C ATOM 1535 CE1 TYR A 96 12.778 -0.847 -2.311 1.00 0.02 C ATOM 1536 CE2 TYR A 96 12.263 -0.024 -4.498 1.00 1.30 C ATOM 1537 CZ TYR A 96 13.056 -0.012 -3.371 1.00 62.33 C ATOM 1538 OH TYR A 96 14.127 0.848 -3.301 1.00 31.35 O ATOM 0 H TYR A 96 9.892 -3.906 -5.991 1.00 33.41 H new ATOM 0 HA TYR A 96 10.828 -4.486 -3.251 1.00 71.13 H new ATOM 0 HB2 TYR A 96 8.983 -2.288 -4.318 1.00 51.51 H new ATOM 0 HB3 TYR A 96 9.162 -2.631 -2.608 1.00 51.51 H new ATOM 0 HD1 TYR A 96 11.482 -2.358 -1.552 1.00 30.15 H new ATOM 0 HD2 TYR A 96 10.557 -0.880 -5.443 1.00 62.42 H new ATOM 0 HE1 TYR A 96 13.402 -0.833 -1.430 1.00 0.02 H new ATOM 0 HE2 TYR A 96 12.488 0.630 -5.327 1.00 1.30 H new ATOM 0 HH TYR A 96 14.857 0.507 -3.858 1.00 31.35 H new ATOM 1548 N LYS A 97 8.420 -5.869 -4.578 1.00 14.33 N ATOM 1549 CA LYS A 97 7.236 -6.731 -4.395 1.00 53.23 C ATOM 1550 C LYS A 97 7.306 -7.541 -3.094 1.00 21.31 C ATOM 1551 O LYS A 97 8.336 -8.134 -2.766 1.00 71.33 O ATOM 1552 CB LYS A 97 7.034 -7.691 -5.583 1.00 23.31 C ATOM 1553 CG LYS A 97 6.295 -7.070 -6.766 1.00 12.13 C ATOM 1554 CD LYS A 97 5.945 -8.112 -7.826 1.00 53.55 C ATOM 1555 CE LYS A 97 4.955 -9.149 -7.300 1.00 60.04 C ATOM 1556 NZ LYS A 97 3.619 -8.557 -7.001 1.00 13.44 N ATOM 0 H LYS A 97 8.911 -6.002 -5.462 1.00 14.33 H new ATOM 0 HA LYS A 97 6.382 -6.056 -4.339 1.00 53.23 H new ATOM 0 HB2 LYS A 97 8.008 -8.044 -5.921 1.00 23.31 H new ATOM 0 HB3 LYS A 97 6.480 -8.565 -5.240 1.00 23.31 H new ATOM 0 HG2 LYS A 97 5.382 -6.590 -6.413 1.00 12.13 H new ATOM 0 HG3 LYS A 97 6.913 -6.291 -7.212 1.00 12.13 H new ATOM 0 HD2 LYS A 97 5.521 -7.614 -8.698 1.00 53.55 H new ATOM 0 HD3 LYS A 97 6.855 -8.613 -8.156 1.00 53.55 H new ATOM 0 HE2 LYS A 97 4.841 -9.945 -8.036 1.00 60.04 H new ATOM 0 HE3 LYS A 97 5.358 -9.606 -6.396 1.00 60.04 H new ATOM 0 HZ1 LYS A 97 3.014 -9.274 -6.553 1.00 13.44 H new ATOM 0 HZ2 LYS A 97 3.734 -7.749 -6.356 1.00 13.44 H new ATOM 0 HZ3 LYS A 97 3.176 -8.234 -7.885 1.00 13.44 H new ATOM 1570 N TRP A 98 6.198 -7.548 -2.359 1.00 23.13 N ATOM 1571 CA TRP A 98 6.080 -8.310 -1.119 1.00 23.31 C ATOM 1572 C TRP A 98 6.353 -9.807 -1.345 1.00 45.32 C ATOM 1573 O TRP A 98 5.590 -10.503 -2.020 1.00 52.52 O ATOM 1574 CB TRP A 98 4.684 -8.100 -0.512 1.00 11.03 C ATOM 1575 CG TRP A 98 4.381 -8.978 0.667 1.00 1.31 C ATOM 1576 CD1 TRP A 98 5.263 -9.453 1.597 1.00 10.11 C ATOM 1577 CD2 TRP A 98 3.094 -9.478 1.044 1.00 13.12 C ATOM 1578 NE1 TRP A 98 4.604 -10.222 2.520 1.00 44.55 N ATOM 1579 CE2 TRP A 98 3.273 -10.252 2.202 1.00 3.12 C ATOM 1580 CE3 TRP A 98 1.808 -9.349 0.512 1.00 21.32 C ATOM 1581 CZ2 TRP A 98 2.217 -10.896 2.836 1.00 35.12 C ATOM 1582 CZ3 TRP A 98 0.758 -9.982 1.147 1.00 51.54 C ATOM 1583 CH2 TRP A 98 0.971 -10.753 2.301 1.00 22.23 C ATOM 0 H TRP A 98 5.357 -7.026 -2.606 1.00 23.13 H new ATOM 0 HA TRP A 98 6.834 -7.945 -0.422 1.00 23.31 H new ATOM 0 HB2 TRP A 98 4.587 -7.058 -0.208 1.00 11.03 H new ATOM 0 HB3 TRP A 98 3.935 -8.278 -1.284 1.00 11.03 H new ATOM 0 HD1 TRP A 98 6.324 -9.252 1.603 1.00 10.11 H new ATOM 0 HE1 TRP A 98 5.035 -10.695 3.314 1.00 44.55 H new ATOM 0 HE3 TRP A 98 1.639 -8.764 -0.380 1.00 21.32 H new ATOM 0 HZ2 TRP A 98 2.378 -11.490 3.723 1.00 35.12 H new ATOM 0 HZ3 TRP A 98 -0.242 -9.883 0.750 1.00 51.54 H new ATOM 0 HH2 TRP A 98 0.132 -11.242 2.774 1.00 22.23 H new ATOM 1594 N GLN A 99 7.454 -10.283 -0.768 1.00 14.13 N ATOM 1595 CA GLN A 99 7.843 -11.694 -0.843 1.00 63.30 C ATOM 1596 C GLN A 99 7.768 -12.343 0.551 1.00 41.25 C ATOM 1597 O GLN A 99 8.721 -12.269 1.326 1.00 5.13 O ATOM 1598 CB GLN A 99 9.269 -11.806 -1.405 1.00 54.12 C ATOM 1599 CG GLN A 99 9.437 -11.166 -2.780 1.00 33.41 C ATOM 1600 CD GLN A 99 10.887 -11.049 -3.216 1.00 11.24 C ATOM 1601 OE1 GLN A 99 11.733 -11.854 -2.840 1.00 53.50 O ATOM 1602 NE2 GLN A 99 11.188 -10.042 -4.011 1.00 71.45 N ATOM 0 H GLN A 99 8.103 -9.704 -0.235 1.00 14.13 H new ATOM 0 HA GLN A 99 7.155 -12.219 -1.506 1.00 63.30 H new ATOM 0 HB2 GLN A 99 9.963 -11.336 -0.708 1.00 54.12 H new ATOM 0 HB3 GLN A 99 9.544 -12.859 -1.468 1.00 54.12 H new ATOM 0 HG2 GLN A 99 8.890 -11.755 -3.516 1.00 33.41 H new ATOM 0 HG3 GLN A 99 8.987 -10.173 -2.768 1.00 33.41 H new ATOM 0 HE21 GLN A 99 10.461 -9.390 -4.306 1.00 71.45 H new ATOM 0 HE22 GLN A 99 12.148 -9.915 -4.332 1.00 71.45 H new ATOM 1611 N PRO A 100 6.618 -12.957 0.901 1.00 22.11 N ATOM 1612 CA PRO A 100 6.409 -13.560 2.231 1.00 24.31 C ATOM 1613 C PRO A 100 7.023 -14.964 2.388 1.00 70.50 C ATOM 1614 O PRO A 100 7.009 -15.537 3.482 1.00 43.54 O ATOM 1615 CB PRO A 100 4.881 -13.635 2.322 1.00 43.12 C ATOM 1616 CG PRO A 100 4.434 -13.836 0.910 1.00 4.24 C ATOM 1617 CD PRO A 100 5.418 -13.082 0.044 1.00 23.30 C ATOM 0 HA PRO A 100 6.892 -12.976 3.014 1.00 24.31 H new ATOM 0 HB2 PRO A 100 4.561 -14.458 2.961 1.00 43.12 H new ATOM 0 HB3 PRO A 100 4.463 -12.722 2.745 1.00 43.12 H new ATOM 0 HG2 PRO A 100 4.421 -14.895 0.653 1.00 4.24 H new ATOM 0 HG3 PRO A 100 3.421 -13.461 0.765 1.00 4.24 H new ATOM 0 HD2 PRO A 100 5.638 -13.623 -0.876 1.00 23.30 H new ATOM 0 HD3 PRO A 100 5.030 -12.106 -0.246 1.00 23.30 H new ATOM 1625 N LEU A 101 7.564 -15.513 1.302 1.00 4.42 N ATOM 1626 CA LEU A 101 8.092 -16.887 1.307 1.00 0.11 C ATOM 1627 C LEU A 101 9.570 -16.939 0.883 1.00 52.04 C ATOM 1628 O LEU A 101 10.077 -16.011 0.249 1.00 75.44 O ATOM 1629 CB LEU A 101 7.256 -17.772 0.366 1.00 72.25 C ATOM 1630 CG LEU A 101 5.753 -17.852 0.692 1.00 60.21 C ATOM 1631 CD1 LEU A 101 5.033 -18.758 -0.305 1.00 50.32 C ATOM 1632 CD2 LEU A 101 5.538 -18.341 2.123 1.00 75.42 C ATOM 0 H LEU A 101 7.651 -15.033 0.406 1.00 4.42 H new ATOM 0 HA LEU A 101 8.025 -17.259 2.329 1.00 0.11 H new ATOM 0 HB2 LEU A 101 7.370 -17.399 -0.652 1.00 72.25 H new ATOM 0 HB3 LEU A 101 7.668 -18.781 0.383 1.00 72.25 H new ATOM 0 HG LEU A 101 5.330 -16.851 0.608 1.00 60.21 H new ATOM 0 HD11 LEU A 101 3.972 -18.801 -0.057 1.00 50.32 H new ATOM 0 HD12 LEU A 101 5.154 -18.360 -1.312 1.00 50.32 H new ATOM 0 HD13 LEU A 101 5.458 -19.761 -0.258 1.00 50.32 H new ATOM 0 HD21 LEU A 101 4.470 -18.391 2.334 1.00 75.42 H new ATOM 0 HD22 LEU A 101 5.977 -19.332 2.239 1.00 75.42 H new ATOM 0 HD23 LEU A 101 6.013 -17.650 2.819 1.00 75.42 H new ATOM 1644 N GLU A 102 10.250 -18.029 1.248 1.00 43.20 N ATOM 1645 CA GLU A 102 11.643 -18.276 0.828 1.00 44.11 C ATOM 1646 C GLU A 102 11.827 -19.739 0.373 1.00 51.32 C ATOM 1647 O GLU A 102 11.595 -20.031 -0.821 1.00 38.30 O ATOM 1648 CB GLU A 102 12.624 -17.953 1.971 1.00 44.45 C ATOM 1649 CG GLU A 102 12.576 -16.508 2.461 1.00 23.13 C ATOM 1650 CD GLU A 102 13.603 -16.227 3.548 1.00 14.03 C ATOM 1651 OE1 GLU A 102 13.396 -16.668 4.700 1.00 50.51 O ATOM 1652 OE2 GLU A 102 14.623 -15.566 3.256 1.00 3.22 O ATOM 0 H GLU A 102 9.859 -18.763 1.838 1.00 43.20 H new ATOM 0 HA GLU A 102 11.859 -17.619 -0.014 1.00 44.11 H new ATOM 0 HB2 GLU A 102 12.413 -18.615 2.811 1.00 44.45 H new ATOM 0 HB3 GLU A 102 13.637 -18.176 1.636 1.00 44.45 H new ATOM 0 HG2 GLU A 102 12.749 -15.837 1.620 1.00 23.13 H new ATOM 0 HG3 GLU A 102 11.579 -16.290 2.843 1.00 23.13 H new TER 1659 GLU A 102