USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 814 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 67 TYR OH : rot 180:sc= -1.46 USER MOD Set 1.2: A 80 MET CE :methyl -127:sc= -1.62 (180deg=-0.332) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 138:sc= -0.698 (180deg=-2.38!) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0156) USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= -0.0975 (180deg=-0.683) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 128:sc= -0.202 (180deg=-1.11) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0932 USER MOD Single : A 15 SER OG : rot 180:sc= -0.119 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.759 K(o=0.76,f=-3.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= -0.807 (180deg=-1.98!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 31 ASN : amide:sc= -3.59 K(o=-3.6,f=-18!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=-0.44) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 69:sc= -0.393 USER MOD Single : A 42 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.33) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 34:sc= 0.391 USER MOD Single : A 48 TYR OH : rot 150:sc= -3.23! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0975 USER MOD Single : A 52 ASN : amide:sc= -0.858 K(o=-0.86,f=-4.7!) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0771) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0909 F(o=-1.8,f=-0.091) USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.543 (180deg=-0.957!) USER MOD Single : A 63 THR OG1 : rot 120:sc= 0.774 USER MOD Single : A 65 MET CE :methyl 137:sc= -4.51! (180deg=-6.34!) USER MOD Single : A 70 ASN : amide:sc= -1.55 K(o=-1.5,f=-6.1!) USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= 0.00157 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.459) USER MOD Single : A 74 TYR OH : rot 130:sc= -1.97 USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.000733 USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= -3.53! (180deg=-3.73!) USER MOD Single : A 86 LYS NZ :NH3+ -149:sc= -0.3 (180deg=-1.17) USER MOD Single : A 87 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0159) USER MOD Single : A 88 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00872) USER MOD Single : A 97 TYR OH : rot 15:sc= -1.46 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -92:sc= 1.14 USER MOD Single : A 103 ASN : amide:sc= -0.632 K(o=-0.63,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.153 0.739 -0.729 1.00 24.45 N ATOM 2 CA GLY A 1 2.360 0.189 -1.323 1.00 4.32 C ATOM 3 C GLY A 1 2.075 -1.152 -2.003 1.00 34.12 C ATOM 4 O GLY A 1 2.487 -2.201 -1.512 1.00 52.20 O ATOM 0 H1 GLY A 1 1.373 1.648 -0.274 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.438 0.886 -1.469 1.00 24.45 H new ATOM 0 H3 GLY A 1 0.783 0.077 -0.017 1.00 24.45 H new ATOM 0 HA2 GLY A 1 2.764 0.892 -2.052 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.120 0.056 -0.553 1.00 4.32 H new ATOM 8 N ASP A 2 1.371 -1.073 -3.123 1.00 42.55 N ATOM 9 CA ASP A 2 1.027 -2.267 -3.876 1.00 3.31 C ATOM 10 C ASP A 2 2.289 -3.099 -4.110 1.00 4.41 C ATOM 11 O ASP A 2 3.399 -2.632 -3.863 1.00 51.34 O ATOM 12 CB ASP A 2 0.439 -1.906 -5.241 1.00 52.41 C ATOM 13 CG ASP A 2 -0.574 -2.911 -5.795 1.00 63.04 C ATOM 14 OD1 ASP A 2 -1.051 -3.799 -5.074 1.00 4.01 O ATOM 15 OD2 ASP A 2 -0.874 -2.752 -7.040 1.00 63.42 O1- ATOM 0 H ASP A 2 1.030 -0.201 -3.527 1.00 42.55 H new ATOM 0 HA ASP A 2 0.289 -2.827 -3.302 1.00 3.31 H new ATOM 0 HB2 ASP A 2 -0.043 -0.931 -5.166 1.00 52.41 H new ATOM 0 HB3 ASP A 2 1.255 -1.804 -5.956 1.00 52.41 H new ATOM 21 N VAL A 3 2.076 -4.317 -4.585 1.00 75.13 N ATOM 22 CA VAL A 3 3.183 -5.219 -4.854 1.00 75.34 C ATOM 23 C VAL A 3 3.219 -5.542 -6.349 1.00 13.43 C ATOM 24 O VAL A 3 4.255 -5.396 -6.995 1.00 74.44 O ATOM 25 CB VAL A 3 3.067 -6.467 -3.977 1.00 52.14 C ATOM 26 CG1 VAL A 3 3.824 -6.283 -2.660 1.00 34.45 C ATOM 27 CG2 VAL A 3 1.602 -6.824 -3.721 1.00 44.44 C ATOM 0 H VAL A 3 1.153 -4.701 -4.791 1.00 75.13 H new ATOM 0 HA VAL A 3 4.131 -4.746 -4.599 1.00 75.34 H new ATOM 0 HB VAL A 3 3.525 -7.297 -4.514 1.00 52.14 H new ATOM 0 HG11 VAL A 3 3.726 -7.184 -2.055 1.00 34.45 H new ATOM 0 HG12 VAL A 3 4.878 -6.099 -2.869 1.00 34.45 H new ATOM 0 HG13 VAL A 3 3.408 -5.434 -2.117 1.00 34.45 H new ATOM 0 HG21 VAL A 3 1.549 -7.715 -3.095 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.109 -5.995 -3.214 1.00 44.44 H new ATOM 0 HG23 VAL A 3 1.103 -7.017 -4.671 1.00 44.44 H new ATOM 37 N GLU A 4 2.073 -5.973 -6.857 1.00 51.25 N ATOM 38 CA GLU A 4 1.962 -6.318 -8.264 1.00 54.55 C ATOM 39 C GLU A 4 2.727 -5.307 -9.120 1.00 41.14 C ATOM 40 O GLU A 4 3.457 -5.690 -10.035 1.00 54.03 O ATOM 41 CB GLU A 4 0.495 -6.400 -8.693 1.00 30.12 C ATOM 42 CG GLU A 4 -0.138 -7.714 -8.232 1.00 30.34 C ATOM 43 CD GLU A 4 0.043 -8.809 -9.286 1.00 64.34 C ATOM 44 OE1 GLU A 4 0.939 -9.655 -9.153 1.00 52.43 O ATOM 45 OE2 GLU A 4 -0.791 -8.763 -10.269 1.00 73.12 O1- ATOM 0 H GLU A 4 1.214 -6.091 -6.320 1.00 51.25 H new ATOM 0 HA GLU A 4 2.407 -7.302 -8.414 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.058 -5.559 -8.274 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.424 -6.319 -9.778 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.315 -8.030 -7.292 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -1.200 -7.562 -8.039 1.00 30.34 H new ATOM 53 N LYS A 5 2.535 -4.037 -8.795 1.00 75.51 N ATOM 54 CA LYS A 5 3.199 -2.969 -9.523 1.00 13.03 C ATOM 55 C LYS A 5 4.711 -3.202 -9.495 1.00 44.51 C ATOM 56 O LYS A 5 5.375 -3.110 -10.526 1.00 62.31 O ATOM 57 CB LYS A 5 2.777 -1.605 -8.975 1.00 32.11 C ATOM 58 CG LYS A 5 1.411 -1.191 -9.526 1.00 40.51 C ATOM 59 CD LYS A 5 1.542 -0.601 -10.932 1.00 51.43 C ATOM 60 CE LYS A 5 1.882 0.888 -10.872 1.00 34.33 C ATOM 61 NZ LYS A 5 3.344 1.080 -10.734 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.929 -3.723 -8.037 1.00 75.51 H new ATOM 0 HA LYS A 5 2.895 -2.975 -10.570 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.738 -1.643 -7.886 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.523 -0.856 -9.241 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.748 -2.056 -9.551 1.00 40.51 H new ATOM 0 HG3 LYS A 5 0.954 -0.458 -8.861 1.00 40.51 H new ATOM 0 HD2 LYS A 5 2.318 -1.133 -11.483 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.609 -0.743 -11.478 1.00 51.43 H new ATOM 0 HE2 LYS A 5 1.527 1.385 -11.775 1.00 34.33 H new ATOM 0 HE3 LYS A 5 1.367 1.351 -10.030 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 3.651 1.860 -11.350 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 3.572 1.309 -9.745 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 3.836 0.207 -11.010 1.00 61.11 H new ATOM 74 N GLY A 6 5.210 -3.499 -8.305 1.00 33.14 N ATOM 75 CA GLY A 6 6.631 -3.746 -8.129 1.00 41.25 C ATOM 76 C GLY A 6 7.002 -5.159 -8.582 1.00 61.35 C ATOM 77 O GLY A 6 8.181 -5.478 -8.729 1.00 72.04 O ATOM 0 H GLY A 6 4.655 -3.574 -7.452 1.00 33.14 H new ATOM 0 HA2 GLY A 6 7.204 -3.015 -8.699 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.900 -3.614 -7.081 1.00 41.25 H new ATOM 81 N LYS A 7 5.974 -5.968 -8.790 1.00 54.25 N ATOM 82 CA LYS A 7 6.177 -7.341 -9.222 1.00 13.43 C ATOM 83 C LYS A 7 6.614 -7.350 -10.688 1.00 11.22 C ATOM 84 O LYS A 7 7.778 -7.611 -10.992 1.00 40.24 O ATOM 85 CB LYS A 7 4.927 -8.180 -8.949 1.00 12.01 C ATOM 86 CG LYS A 7 5.095 -9.604 -9.482 1.00 61.14 C ATOM 87 CD LYS A 7 5.857 -10.477 -8.483 1.00 21.42 C ATOM 88 CE LYS A 7 5.623 -11.963 -8.762 1.00 53.44 C ATOM 89 NZ LYS A 7 4.308 -12.388 -8.235 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.998 -5.699 -8.668 1.00 54.25 H new ATOM 0 HA LYS A 7 6.977 -7.806 -8.646 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.732 -8.210 -7.877 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.061 -7.712 -9.418 1.00 12.01 H new ATOM 0 HG2 LYS A 7 4.116 -10.040 -9.679 1.00 61.14 H new ATOM 0 HG3 LYS A 7 5.630 -9.580 -10.431 1.00 61.14 H new ATOM 0 HD2 LYS A 7 6.923 -10.256 -8.541 1.00 21.42 H new ATOM 0 HD3 LYS A 7 5.537 -10.239 -7.469 1.00 21.42 H new ATOM 0 HE2 LYS A 7 5.669 -12.149 -9.835 1.00 53.44 H new ATOM 0 HE3 LYS A 7 6.414 -12.555 -8.302 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 4.222 -13.422 -8.310 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 4.226 -12.105 -7.238 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.551 -11.936 -8.786 1.00 74.43 H new ATOM 102 N LYS A 8 5.659 -7.061 -11.560 1.00 45.33 N ATOM 103 CA LYS A 8 5.931 -7.032 -12.987 1.00 12.01 C ATOM 104 C LYS A 8 7.135 -6.127 -13.254 1.00 54.24 C ATOM 105 O LYS A 8 7.942 -6.407 -14.138 1.00 40.24 O ATOM 106 CB LYS A 8 4.675 -6.629 -13.764 1.00 14.42 C ATOM 107 CG LYS A 8 3.542 -7.630 -13.530 1.00 34.03 C ATOM 108 CD LYS A 8 3.674 -8.835 -14.464 1.00 33.34 C ATOM 109 CE LYS A 8 3.306 -8.459 -15.900 1.00 60.43 C ATOM 110 NZ LYS A 8 1.901 -8.000 -15.973 1.00 31.43 N1+ ATOM 0 H LYS A 8 4.695 -6.845 -11.305 1.00 45.33 H new ATOM 0 HA LYS A 8 6.194 -8.027 -13.345 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.356 -5.634 -13.455 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.903 -6.575 -14.828 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.557 -7.966 -12.493 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.581 -7.142 -13.693 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.696 -9.213 -14.434 1.00 33.34 H new ATOM 0 HD3 LYS A 8 3.026 -9.640 -14.118 1.00 33.34 H new ATOM 0 HE2 LYS A 8 3.971 -7.672 -16.258 1.00 60.43 H new ATOM 0 HE3 LYS A 8 3.448 -9.319 -16.555 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 1.536 -8.152 -16.935 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 1.324 -8.538 -15.295 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 1.854 -6.987 -15.741 1.00 31.43 H new ATOM 123 N ILE A 9 7.219 -5.060 -12.472 1.00 72.22 N ATOM 124 CA ILE A 9 8.311 -4.113 -12.613 1.00 63.35 C ATOM 125 C ILE A 9 9.623 -4.790 -12.211 1.00 74.32 C ATOM 126 O ILE A 9 10.639 -4.635 -12.886 1.00 34.45 O ATOM 127 CB ILE A 9 8.015 -2.832 -11.831 1.00 33.41 C ATOM 128 CG1 ILE A 9 6.846 -2.066 -12.455 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.268 -1.964 -11.705 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.380 -0.935 -11.537 1.00 3.44 C ATOM 0 H ILE A 9 6.548 -4.831 -11.739 1.00 72.22 H new ATOM 0 HA ILE A 9 8.416 -3.806 -13.654 1.00 63.35 H new ATOM 0 HB ILE A 9 7.714 -3.110 -10.821 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.148 -1.656 -13.419 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.018 -2.750 -12.645 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.029 -1.060 -11.145 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.045 -2.521 -11.181 1.00 10.42 H new ATOM 0 HG23 ILE A 9 9.624 -1.692 -12.699 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.549 -0.407 -12.004 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.056 -1.351 -10.583 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.203 -0.240 -11.369 1.00 3.44 H new ATOM 142 N PHE A 10 9.558 -5.527 -11.111 1.00 22.51 N ATOM 143 CA PHE A 10 10.728 -6.228 -10.610 1.00 30.30 C ATOM 144 C PHE A 10 11.152 -7.342 -11.569 1.00 54.03 C ATOM 145 O PHE A 10 12.326 -7.705 -11.625 1.00 62.33 O ATOM 146 CB PHE A 10 10.336 -6.849 -9.268 1.00 71.01 C ATOM 147 CG PHE A 10 11.279 -7.959 -8.798 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.501 -7.644 -8.290 1.00 65.44 C ATOM 149 CD2 PHE A 10 10.893 -9.260 -8.886 1.00 53.24 C ATOM 150 CE1 PHE A 10 13.375 -8.674 -7.853 1.00 63.41 C ATOM 151 CE2 PHE A 10 11.768 -10.291 -8.449 1.00 45.31 C ATOM 152 CZ PHE A 10 12.990 -9.976 -7.942 1.00 72.24 C ATOM 0 H PHE A 10 8.713 -5.654 -10.553 1.00 22.51 H new ATOM 0 HA PHE A 10 11.563 -5.534 -10.510 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.308 -6.065 -8.511 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.327 -7.253 -9.347 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.806 -6.610 -8.219 1.00 65.44 H new ATOM 0 HD2 PHE A 10 9.922 -9.510 -9.288 1.00 53.24 H new ATOM 0 HE1 PHE A 10 14.345 -8.424 -7.450 1.00 63.41 H new ATOM 0 HE2 PHE A 10 11.463 -11.325 -8.520 1.00 45.31 H new ATOM 0 HZ PHE A 10 13.655 -10.760 -7.610 1.00 72.24 H new ATOM 162 N ILE A 11 10.173 -7.854 -12.301 1.00 5.51 N ATOM 163 CA ILE A 11 10.430 -8.919 -13.256 1.00 1.20 C ATOM 164 C ILE A 11 10.946 -8.314 -14.562 1.00 50.30 C ATOM 165 O ILE A 11 12.117 -8.470 -14.903 1.00 63.10 O ATOM 166 CB ILE A 11 9.186 -9.793 -13.430 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.868 -10.558 -12.144 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.338 -10.728 -14.632 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.668 -11.487 -12.341 1.00 31.21 C ATOM 0 H ILE A 11 9.200 -7.551 -12.252 1.00 5.51 H new ATOM 0 HA ILE A 11 11.209 -9.585 -12.885 1.00 1.20 H new ATOM 0 HB ILE A 11 8.336 -9.142 -13.634 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.737 -11.141 -11.839 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.658 -9.853 -11.340 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.441 -11.338 -14.734 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.480 -10.137 -15.537 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.202 -11.375 -14.482 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.463 -12.019 -11.412 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.795 -10.899 -12.622 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.890 -12.206 -13.129 1.00 31.21 H new ATOM 181 N MET A 12 10.045 -7.636 -15.259 1.00 24.33 N ATOM 182 CA MET A 12 10.394 -7.006 -16.521 1.00 1.20 C ATOM 183 C MET A 12 11.760 -6.322 -16.433 1.00 33.53 C ATOM 184 O MET A 12 12.450 -6.174 -17.441 1.00 42.35 O ATOM 185 CB MET A 12 9.327 -5.972 -16.889 1.00 60.40 C ATOM 186 CG MET A 12 8.097 -6.647 -17.500 1.00 23.04 C ATOM 187 SD MET A 12 8.389 -6.999 -19.225 1.00 15.25 S ATOM 188 CE MET A 12 6.718 -7.328 -19.760 1.00 65.42 C ATOM 0 H MET A 12 9.074 -7.509 -14.973 1.00 24.33 H new ATOM 0 HA MET A 12 10.444 -7.778 -17.289 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.035 -5.413 -16.000 1.00 60.40 H new ATOM 0 HB3 MET A 12 9.741 -5.253 -17.596 1.00 60.40 H new ATOM 0 HG2 MET A 12 7.875 -7.570 -16.964 1.00 23.04 H new ATOM 0 HG3 MET A 12 7.226 -6.000 -17.395 1.00 23.04 H new ATOM 0 HE1 MET A 12 6.717 -7.568 -20.823 1.00 65.42 H new ATOM 0 HE2 MET A 12 6.315 -8.170 -19.198 1.00 65.42 H new ATOM 0 HE3 MET A 12 6.100 -6.447 -19.586 1.00 65.42 H new ATOM 198 N LYS A 13 12.109 -5.923 -15.219 1.00 62.15 N ATOM 199 CA LYS A 13 13.380 -5.258 -14.987 1.00 62.04 C ATOM 200 C LYS A 13 14.371 -6.257 -14.386 1.00 3.45 C ATOM 201 O LYS A 13 15.559 -6.227 -14.707 1.00 2.42 O ATOM 202 CB LYS A 13 13.179 -4.002 -14.134 1.00 42.23 C ATOM 203 CG LYS A 13 12.206 -3.033 -14.808 1.00 64.41 C ATOM 204 CD LYS A 13 11.939 -1.818 -13.917 1.00 24.41 C ATOM 205 CE LYS A 13 12.954 -0.705 -14.190 1.00 3.12 C ATOM 206 NZ LYS A 13 12.864 -0.256 -15.597 1.00 43.44 N1+ ATOM 0 H LYS A 13 11.534 -6.047 -14.386 1.00 62.15 H new ATOM 0 HA LYS A 13 13.807 -4.912 -15.928 1.00 62.04 H new ATOM 0 HB2 LYS A 13 12.798 -4.282 -13.152 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.138 -3.509 -13.975 1.00 42.23 H new ATOM 0 HG2 LYS A 13 12.616 -2.705 -15.763 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.268 -3.544 -15.023 1.00 64.41 H new ATOM 0 HD2 LYS A 13 10.930 -1.447 -14.095 1.00 24.41 H new ATOM 0 HD3 LYS A 13 11.990 -2.113 -12.869 1.00 24.41 H new ATOM 0 HE2 LYS A 13 12.769 0.136 -13.521 1.00 3.12 H new ATOM 0 HE3 LYS A 13 13.962 -1.064 -13.980 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 12.758 0.778 -15.625 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 13.729 -0.530 -16.105 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 12.041 -0.701 -16.051 1.00 43.44 H new ATOM 219 N CYS A 14 13.847 -7.117 -13.527 1.00 12.24 N ATOM 220 CA CYS A 14 14.671 -8.123 -12.878 1.00 32.54 C ATOM 221 C CYS A 14 13.950 -9.470 -12.975 1.00 32.32 C ATOM 222 O CYS A 14 13.270 -9.882 -12.036 1.00 22.25 O ATOM 223 CB CYS A 14 14.988 -7.747 -11.430 1.00 14.53 C ATOM 224 SG CYS A 14 14.855 -5.962 -11.053 1.00 23.33 S ATOM 0 H CYS A 14 12.862 -7.139 -13.265 1.00 12.24 H new ATOM 0 HA CYS A 14 15.634 -8.190 -13.384 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.313 -8.294 -10.772 1.00 14.53 H new ATOM 0 HB3 CYS A 14 16.000 -8.079 -11.197 1.00 14.53 H new ATOM 0 HG CYS A 14 15.142 -5.760 -9.801 1.00 23.33 H new ATOM 229 N SER A 15 14.123 -10.117 -14.117 1.00 63.31 N ATOM 230 CA SER A 15 13.498 -11.408 -14.348 1.00 52.21 C ATOM 231 C SER A 15 14.562 -12.451 -14.693 1.00 14.32 C ATOM 232 O SER A 15 15.600 -12.119 -15.264 1.00 24.42 O ATOM 233 CB SER A 15 12.456 -11.323 -15.465 1.00 24.11 C ATOM 234 OG SER A 15 11.864 -12.590 -15.741 1.00 62.04 O ATOM 0 H SER A 15 14.687 -9.771 -14.893 1.00 63.31 H new ATOM 0 HA SER A 15 12.987 -11.709 -13.433 1.00 52.21 H new ATOM 0 HB2 SER A 15 11.678 -10.614 -15.182 1.00 24.11 H new ATOM 0 HB3 SER A 15 12.925 -10.937 -16.370 1.00 24.11 H new ATOM 0 HG SER A 15 11.203 -12.493 -16.458 1.00 62.04 H new ATOM 240 N GLN A 16 14.268 -13.692 -14.332 1.00 3.25 N ATOM 241 CA GLN A 16 15.187 -14.786 -14.596 1.00 0.11 C ATOM 242 C GLN A 16 16.626 -14.352 -14.310 1.00 64.21 C ATOM 243 O GLN A 16 17.551 -14.750 -15.016 1.00 52.24 O ATOM 244 CB GLN A 16 15.042 -15.288 -16.035 1.00 55.01 C ATOM 245 CG GLN A 16 13.647 -15.867 -16.276 1.00 51.45 C ATOM 246 CD GLN A 16 13.578 -16.588 -17.623 1.00 65.25 C ATOM 247 OE1 GLN A 16 14.553 -16.699 -18.348 1.00 12.42 O ATOM 248 NE2 GLN A 16 12.374 -17.072 -17.916 1.00 43.12 N ATOM 0 H GLN A 16 13.406 -13.964 -13.859 1.00 3.25 H new ATOM 0 HA GLN A 16 14.938 -15.612 -13.930 1.00 0.11 H new ATOM 0 HB2 GLN A 16 15.224 -14.468 -16.730 1.00 55.01 H new ATOM 0 HB3 GLN A 16 15.795 -16.050 -16.236 1.00 55.01 H new ATOM 0 HG2 GLN A 16 13.394 -16.561 -15.475 1.00 51.45 H new ATOM 0 HG3 GLN A 16 12.908 -15.067 -16.250 1.00 51.45 H new ATOM 0 HE21 GLN A 16 11.600 -16.944 -17.264 1.00 43.12 H new ATOM 0 HE22 GLN A 16 12.225 -17.571 -18.793 1.00 43.12 H new ATOM 257 N CYS A 17 16.769 -13.541 -13.272 1.00 41.41 N ATOM 258 CA CYS A 17 18.080 -13.048 -12.883 1.00 75.41 C ATOM 259 C CYS A 17 18.191 -13.129 -11.359 1.00 51.53 C ATOM 260 O CYS A 17 19.049 -13.836 -10.832 1.00 52.44 O ATOM 261 CB CYS A 17 18.327 -11.629 -13.399 1.00 31.53 C ATOM 262 SG CYS A 17 20.028 -11.312 -13.993 1.00 22.31 S ATOM 0 H CYS A 17 15.999 -13.213 -12.689 1.00 41.41 H new ATOM 0 HA CYS A 17 18.854 -13.668 -13.336 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.630 -11.427 -14.212 1.00 31.53 H new ATOM 0 HB3 CYS A 17 18.099 -10.923 -12.601 1.00 31.53 H new ATOM 0 HG CYS A 17 20.121 -10.083 -14.407 1.00 22.31 H new ATOM 267 N HIS A 18 17.311 -12.396 -10.694 1.00 64.33 N ATOM 268 CA HIS A 18 17.300 -12.377 -9.241 1.00 50.04 C ATOM 269 C HIS A 18 16.412 -13.509 -8.719 1.00 45.23 C ATOM 270 O HIS A 18 15.866 -14.284 -9.502 1.00 13.43 O ATOM 271 CB HIS A 18 16.873 -11.002 -8.720 1.00 30.21 C ATOM 272 CG HIS A 18 18.028 -10.089 -8.380 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.899 -10.340 -7.334 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.445 -8.928 -8.959 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.795 -9.365 -7.293 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.512 -8.490 -8.301 1.00 4.41 N ATOM 0 H HIS A 18 16.601 -11.811 -11.134 1.00 64.33 H new ATOM 0 HA HIS A 18 18.308 -12.549 -8.864 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.249 -10.518 -9.471 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.256 -11.137 -7.832 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.858 -11.140 -6.702 1.00 53.33 H new ATOM 0 HD2 HIS A 18 17.985 -8.446 -9.809 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.607 -9.278 -6.586 1.00 1.34 H new ATOM 284 N THR A 19 16.298 -13.569 -7.400 1.00 3.13 N ATOM 285 CA THR A 19 15.488 -14.594 -6.766 1.00 10.30 C ATOM 286 C THR A 19 14.842 -14.048 -5.491 1.00 53.54 C ATOM 287 O THR A 19 15.453 -13.261 -4.768 1.00 63.55 O ATOM 288 CB THR A 19 16.376 -15.815 -6.522 1.00 22.40 C ATOM 289 OG1 THR A 19 17.620 -15.261 -6.103 1.00 12.31 O ATOM 290 CG2 THR A 19 16.715 -16.559 -7.815 1.00 53.02 C ATOM 0 H THR A 19 16.753 -12.924 -6.754 1.00 3.13 H new ATOM 0 HA THR A 19 14.662 -14.899 -7.408 1.00 10.30 H new ATOM 0 HB THR A 19 15.877 -16.495 -5.832 1.00 22.40 H new ATOM 0 HG1 THR A 19 18.256 -15.984 -5.921 1.00 12.31 H new ATOM 0 HG21 THR A 19 17.347 -17.417 -7.586 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.795 -16.902 -8.289 1.00 53.02 H new ATOM 0 HG23 THR A 19 17.244 -15.889 -8.492 1.00 53.02 H new ATOM 298 N VAL A 20 13.615 -14.487 -5.253 1.00 23.12 N ATOM 299 CA VAL A 20 12.879 -14.054 -4.077 1.00 24.13 C ATOM 300 C VAL A 20 12.432 -15.279 -3.279 1.00 41.42 C ATOM 301 O VAL A 20 12.554 -15.307 -2.055 1.00 25.44 O ATOM 302 CB VAL A 20 11.715 -13.153 -4.492 1.00 32.22 C ATOM 303 CG1 VAL A 20 12.214 -11.936 -5.273 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.677 -13.935 -5.300 1.00 12.44 C ATOM 0 H VAL A 20 13.111 -15.139 -5.855 1.00 23.12 H new ATOM 0 HA VAL A 20 13.518 -13.458 -3.425 1.00 24.13 H new ATOM 0 HB VAL A 20 11.231 -12.793 -3.584 1.00 32.22 H new ATOM 0 HG11 VAL A 20 11.366 -11.312 -5.556 1.00 62.12 H new ATOM 0 HG12 VAL A 20 12.897 -11.359 -4.650 1.00 62.12 H new ATOM 0 HG13 VAL A 20 12.735 -12.268 -6.171 1.00 62.12 H new ATOM 0 HG21 VAL A 20 9.860 -13.271 -5.582 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.144 -14.338 -6.199 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.287 -14.754 -4.695 1.00 12.44 H new ATOM 314 N GLU A 21 11.923 -16.265 -4.004 1.00 11.10 N ATOM 315 CA GLU A 21 11.457 -17.491 -3.379 1.00 25.04 C ATOM 316 C GLU A 21 12.553 -18.083 -2.489 1.00 12.30 C ATOM 317 O GLU A 21 13.738 -17.870 -2.735 1.00 52.20 O ATOM 318 CB GLU A 21 10.999 -18.502 -4.431 1.00 44.12 C ATOM 319 CG GLU A 21 12.126 -18.821 -5.414 1.00 55.24 C ATOM 320 CD GLU A 21 11.579 -19.478 -6.683 1.00 31.53 C ATOM 321 OE1 GLU A 21 12.339 -20.111 -7.430 1.00 42.20 O ATOM 322 OE2 GLU A 21 10.315 -19.314 -6.879 1.00 50.23 O1- ATOM 0 H GLU A 21 11.823 -16.239 -5.019 1.00 11.10 H new ATOM 0 HA GLU A 21 10.597 -17.253 -2.753 1.00 25.04 H new ATOM 0 HB2 GLU A 21 10.670 -19.418 -3.941 1.00 44.12 H new ATOM 0 HB3 GLU A 21 10.141 -18.104 -4.973 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.656 -17.905 -5.674 1.00 55.24 H new ATOM 0 HG3 GLU A 21 12.850 -19.484 -4.940 1.00 55.24 H new ATOM 365 N LYS A 25 17.405 -21.405 -6.218 1.00 43.10 N ATOM 366 CA LYS A 25 18.858 -21.398 -6.169 1.00 25.50 C ATOM 367 C LYS A 25 19.361 -19.960 -6.307 1.00 31.53 C ATOM 368 O LYS A 25 18.566 -19.022 -6.356 1.00 63.34 O ATOM 369 CB LYS A 25 19.433 -22.354 -7.217 1.00 45.42 C ATOM 370 CG LYS A 25 19.456 -21.700 -8.600 1.00 33.12 C ATOM 371 CD LYS A 25 20.140 -22.609 -9.624 1.00 51.15 C ATOM 372 CE LYS A 25 20.360 -21.875 -10.948 1.00 20.45 C ATOM 373 NZ LYS A 25 19.118 -21.873 -11.753 1.00 61.34 N1+ ATOM 0 HA LYS A 25 19.209 -21.768 -5.206 1.00 25.50 H new ATOM 0 HB2 LYS A 25 20.444 -22.647 -6.932 1.00 45.42 H new ATOM 0 HB3 LYS A 25 18.835 -23.265 -7.251 1.00 45.42 H new ATOM 0 HG2 LYS A 25 18.437 -21.485 -8.922 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.981 -20.746 -8.547 1.00 33.12 H new ATOM 0 HD2 LYS A 25 21.097 -22.951 -9.230 1.00 51.15 H new ATOM 0 HD3 LYS A 25 19.530 -23.496 -9.793 1.00 51.15 H new ATOM 0 HE2 LYS A 25 20.676 -20.850 -10.754 1.00 20.45 H new ATOM 0 HE3 LYS A 25 21.162 -22.356 -11.508 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 19.285 -21.371 -12.648 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 18.833 -22.853 -11.954 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 18.362 -21.394 -11.223 1.00 61.34 H new ATOM 386 N HIS A 26 20.678 -19.830 -6.365 1.00 35.31 N ATOM 387 CA HIS A 26 21.297 -18.522 -6.494 1.00 31.21 C ATOM 388 C HIS A 26 21.557 -18.222 -7.972 1.00 31.35 C ATOM 389 O HIS A 26 22.681 -18.364 -8.449 1.00 63.11 O ATOM 390 CB HIS A 26 22.562 -18.433 -5.640 1.00 60.42 C ATOM 391 CG HIS A 26 22.295 -18.286 -4.160 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.048 -17.063 -3.561 1.00 53.11 N ATOM 393 CD2 HIS A 26 22.238 -19.221 -3.169 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.854 -17.264 -2.265 1.00 4.22 C ATOM 395 NE2 HIS A 26 21.972 -18.602 -2.024 1.00 45.54 N ATOM 0 H HIS A 26 21.334 -20.610 -6.325 1.00 35.31 H new ATOM 0 HA HIS A 26 20.620 -17.756 -6.116 1.00 31.21 H new ATOM 0 HB2 HIS A 26 23.162 -19.328 -5.803 1.00 60.42 H new ATOM 0 HB3 HIS A 26 23.157 -17.584 -5.978 1.00 60.42 H new ATOM 0 HD2 HIS A 26 22.384 -20.284 -3.294 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.640 -16.503 -1.529 1.00 4.22 H new ATOM 0 HE2 HIS A 26 21.872 -19.053 -1.114 1.00 45.54 H new ATOM 403 N LYS A 27 20.498 -17.815 -8.656 1.00 43.43 N ATOM 404 CA LYS A 27 20.597 -17.494 -10.069 1.00 42.03 C ATOM 405 C LYS A 27 21.712 -16.466 -10.277 1.00 2.45 C ATOM 406 O LYS A 27 22.428 -16.123 -9.338 1.00 22.32 O ATOM 407 CB LYS A 27 19.239 -17.046 -10.614 1.00 4.12 C ATOM 408 CG LYS A 27 18.430 -18.243 -11.117 1.00 44.14 C ATOM 409 CD LYS A 27 16.929 -17.945 -11.078 1.00 74.23 C ATOM 410 CE LYS A 27 16.462 -17.313 -12.391 1.00 2.05 C ATOM 411 NZ LYS A 27 15.051 -17.669 -12.665 1.00 22.44 N1+ ATOM 0 H LYS A 27 19.566 -17.700 -8.257 1.00 43.43 H new ATOM 0 HA LYS A 27 20.868 -18.380 -10.642 1.00 42.03 H new ATOM 0 HB2 LYS A 27 18.682 -16.528 -9.833 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.386 -16.334 -11.426 1.00 4.12 H new ATOM 0 HG2 LYS A 27 18.730 -18.487 -12.136 1.00 44.14 H new ATOM 0 HG3 LYS A 27 18.647 -19.117 -10.503 1.00 44.14 H new ATOM 0 HD2 LYS A 27 16.376 -18.867 -10.897 1.00 74.23 H new ATOM 0 HD3 LYS A 27 16.709 -17.273 -10.248 1.00 74.23 H new ATOM 0 HE2 LYS A 27 16.566 -16.229 -12.337 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.095 -17.653 -13.211 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 14.902 -17.733 -13.692 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 14.833 -18.586 -12.225 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 14.426 -16.938 -12.270 1.00 22.44 H new ATOM 424 N THR A 28 21.823 -16.004 -11.514 1.00 45.00 N ATOM 425 CA THR A 28 22.838 -15.022 -11.857 1.00 61.12 C ATOM 426 C THR A 28 22.986 -13.993 -10.735 1.00 45.43 C ATOM 427 O THR A 28 24.071 -13.456 -10.520 1.00 2.21 O ATOM 428 CB THR A 28 22.460 -14.403 -13.204 1.00 35.30 C ATOM 429 OG1 THR A 28 22.040 -15.514 -13.992 1.00 61.25 O ATOM 430 CG2 THR A 28 23.674 -13.852 -13.956 1.00 51.31 C ATOM 0 H THR A 28 21.227 -16.291 -12.291 1.00 45.00 H new ATOM 0 HA THR A 28 23.819 -15.486 -11.960 1.00 61.12 H new ATOM 0 HB THR A 28 21.737 -13.603 -13.045 1.00 35.30 H new ATOM 0 HG1 THR A 28 21.775 -15.202 -14.882 1.00 61.25 H new ATOM 0 HG21 THR A 28 23.351 -13.424 -14.905 1.00 51.31 H new ATOM 0 HG22 THR A 28 24.155 -13.080 -13.355 1.00 51.31 H new ATOM 0 HG23 THR A 28 24.382 -14.659 -14.144 1.00 51.31 H new ATOM 438 N GLY A 29 21.879 -13.749 -10.050 1.00 10.45 N ATOM 439 CA GLY A 29 21.872 -12.793 -8.956 1.00 52.43 C ATOM 440 C GLY A 29 21.459 -13.465 -7.644 1.00 73.33 C ATOM 441 O GLY A 29 20.804 -14.505 -7.655 1.00 12.41 O ATOM 0 H GLY A 29 20.981 -14.197 -10.231 1.00 10.45 H new ATOM 0 HA2 GLY A 29 22.863 -12.352 -8.847 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.184 -11.979 -9.184 1.00 52.43 H new ATOM 445 N PRO A 30 21.870 -12.826 -6.517 1.00 64.11 N ATOM 446 CA PRO A 30 21.550 -13.350 -5.200 1.00 53.23 C ATOM 447 C PRO A 30 20.082 -13.095 -4.850 1.00 41.02 C ATOM 448 O PRO A 30 19.484 -12.132 -5.327 1.00 1.24 O ATOM 449 CB PRO A 30 22.515 -12.653 -4.253 1.00 21.01 C ATOM 450 CG PRO A 30 23.021 -11.430 -5.001 1.00 61.15 C ATOM 451 CD PRO A 30 22.648 -11.591 -6.465 1.00 30.43 C ATOM 0 HA PRO A 30 21.665 -14.432 -5.139 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.016 -12.366 -3.328 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.339 -13.312 -3.979 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.578 -10.522 -4.592 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.101 -11.335 -4.891 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.066 -10.741 -6.821 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.535 -11.655 -7.095 1.00 30.43 H new ATOM 459 N ASN A 31 19.544 -13.977 -4.020 1.00 42.21 N ATOM 460 CA ASN A 31 18.157 -13.860 -3.601 1.00 54.23 C ATOM 461 C ASN A 31 18.018 -12.679 -2.638 1.00 24.12 C ATOM 462 O ASN A 31 18.848 -12.497 -1.749 1.00 22.02 O ATOM 463 CB ASN A 31 17.695 -15.122 -2.870 1.00 1.42 C ATOM 464 CG ASN A 31 16.180 -15.300 -2.990 1.00 33.11 C ATOM 465 OD1 ASN A 31 15.397 -14.424 -2.659 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.811 -16.481 -3.478 1.00 24.23 N ATOM 0 H ASN A 31 20.043 -14.775 -3.627 1.00 42.21 H new ATOM 0 HA ASN A 31 17.546 -13.715 -4.492 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.201 -15.993 -3.285 1.00 1.42 H new ATOM 0 HB3 ASN A 31 17.976 -15.061 -1.819 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.821 -16.698 -3.595 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.518 -17.170 -3.736 1.00 24.23 H new ATOM 473 N LEU A 32 16.962 -11.906 -2.848 1.00 74.54 N ATOM 474 CA LEU A 32 16.703 -10.748 -2.010 1.00 5.51 C ATOM 475 C LEU A 32 16.104 -11.210 -0.680 1.00 71.53 C ATOM 476 O LEU A 32 16.037 -10.439 0.276 1.00 22.25 O ATOM 477 CB LEU A 32 15.835 -9.732 -2.755 1.00 14.14 C ATOM 478 CG LEU A 32 16.425 -9.167 -4.050 1.00 30.32 C ATOM 479 CD1 LEU A 32 17.950 -9.081 -3.965 1.00 72.11 C ATOM 480 CD2 LEU A 32 15.964 -9.979 -5.261 1.00 23.23 C ATOM 0 H LEU A 32 16.276 -12.060 -3.587 1.00 74.54 H new ATOM 0 HA LEU A 32 17.633 -10.230 -1.778 1.00 5.51 H new ATOM 0 HB2 LEU A 32 14.880 -10.202 -2.989 1.00 14.14 H new ATOM 0 HB3 LEU A 32 15.625 -8.901 -2.082 1.00 14.14 H new ATOM 0 HG LEU A 32 16.052 -8.151 -4.182 1.00 30.32 H new ATOM 0 HD11 LEU A 32 18.344 -8.677 -4.897 1.00 72.11 H new ATOM 0 HD12 LEU A 32 18.232 -8.429 -3.139 1.00 72.11 H new ATOM 0 HD13 LEU A 32 18.362 -10.076 -3.798 1.00 72.11 H new ATOM 0 HD21 LEU A 32 16.397 -9.557 -6.168 1.00 23.23 H new ATOM 0 HD22 LEU A 32 16.289 -11.013 -5.151 1.00 23.23 H new ATOM 0 HD23 LEU A 32 14.877 -9.946 -5.329 1.00 23.23 H new ATOM 492 N HIS A 33 15.685 -12.467 -0.661 1.00 14.50 N ATOM 493 CA HIS A 33 15.095 -13.040 0.536 1.00 13.44 C ATOM 494 C HIS A 33 15.862 -12.558 1.769 1.00 62.54 C ATOM 495 O HIS A 33 15.266 -12.298 2.813 1.00 23.12 O ATOM 496 CB HIS A 33 15.034 -14.566 0.434 1.00 5.43 C ATOM 497 CG HIS A 33 14.842 -15.262 1.761 1.00 22.13 C ATOM 498 ND1 HIS A 33 15.896 -15.588 2.596 1.00 13.25 N ATOM 499 CD2 HIS A 33 13.707 -15.690 2.387 1.00 23.11 C ATOM 500 CE1 HIS A 33 15.407 -16.185 3.673 1.00 64.43 C ATOM 501 NE2 HIS A 33 14.051 -16.248 3.541 1.00 50.42 N ATOM 0 H HIS A 33 15.743 -13.104 -1.455 1.00 14.50 H new ATOM 0 HA HIS A 33 14.065 -12.699 0.637 1.00 13.44 H new ATOM 0 HB2 HIS A 33 14.217 -14.843 -0.232 1.00 5.43 H new ATOM 0 HB3 HIS A 33 15.955 -14.927 -0.024 1.00 5.43 H new ATOM 0 HD2 HIS A 33 12.701 -15.591 2.008 1.00 23.11 H new ATOM 0 HE1 HIS A 33 15.981 -16.557 4.509 1.00 64.43 H new ATOM 0 HE2 HIS A 33 13.407 -16.657 4.218 1.00 50.42 H new ATOM 509 N GLY A 34 17.173 -12.453 1.607 1.00 75.21 N ATOM 510 CA GLY A 34 18.028 -12.007 2.693 1.00 51.24 C ATOM 511 C GLY A 34 18.407 -10.535 2.523 1.00 41.32 C ATOM 512 O GLY A 34 19.577 -10.173 2.640 1.00 23.54 O ATOM 0 H GLY A 34 17.664 -12.669 0.739 1.00 75.21 H new ATOM 0 HA2 GLY A 34 17.516 -12.147 3.645 1.00 51.24 H new ATOM 0 HA3 GLY A 34 18.931 -12.617 2.724 1.00 51.24 H new ATOM 516 N LEU A 35 17.395 -9.724 2.250 1.00 32.14 N ATOM 517 CA LEU A 35 17.606 -8.299 2.063 1.00 14.33 C ATOM 518 C LEU A 35 17.341 -7.571 3.383 1.00 14.32 C ATOM 519 O LEU A 35 18.275 -7.153 4.065 1.00 23.33 O ATOM 520 CB LEU A 35 16.766 -7.781 0.895 1.00 1.34 C ATOM 521 CG LEU A 35 16.957 -6.307 0.533 1.00 70.13 C ATOM 522 CD1 LEU A 35 18.215 -6.110 -0.315 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.711 -5.744 -0.154 1.00 20.03 C ATOM 0 H LEU A 35 16.426 -10.027 2.154 1.00 32.14 H new ATOM 0 HA LEU A 35 18.643 -8.100 1.791 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.993 -8.383 0.015 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.714 -7.944 1.130 1.00 1.34 H new ATOM 0 HG LEU A 35 17.098 -5.745 1.456 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.328 -5.054 -0.559 1.00 23.22 H new ATOM 0 HD12 LEU A 35 19.087 -6.448 0.244 1.00 23.22 H new ATOM 0 HD13 LEU A 35 18.127 -6.687 -1.235 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.874 -4.695 -0.400 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.514 -6.305 -1.068 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.856 -5.831 0.516 1.00 20.03 H new ATOM 535 N PHE A 36 16.062 -7.440 3.702 1.00 5.35 N ATOM 536 CA PHE A 36 15.661 -6.770 4.928 1.00 22.24 C ATOM 537 C PHE A 36 16.058 -7.591 6.157 1.00 61.41 C ATOM 538 O PHE A 36 15.604 -8.722 6.325 1.00 2.04 O ATOM 539 CB PHE A 36 14.138 -6.637 4.888 1.00 52.13 C ATOM 540 CG PHE A 36 13.630 -5.591 3.893 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.511 -5.907 2.576 1.00 23.43 C ATOM 542 CD2 PHE A 36 13.299 -4.346 4.327 1.00 33.42 C ATOM 543 CE1 PHE A 36 13.040 -4.936 1.653 1.00 12.33 C ATOM 544 CE2 PHE A 36 12.828 -3.375 3.404 1.00 1.43 C ATOM 545 CZ PHE A 36 12.708 -3.690 2.086 1.00 2.54 C ATOM 0 H PHE A 36 15.290 -7.786 3.133 1.00 5.35 H new ATOM 0 HA PHE A 36 16.152 -5.799 4.999 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.706 -7.605 4.634 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.780 -6.379 5.885 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.775 -6.896 2.232 1.00 23.43 H new ATOM 0 HD2 PHE A 36 13.394 -4.095 5.373 1.00 33.42 H new ATOM 0 HE1 PHE A 36 12.945 -5.187 0.607 1.00 12.33 H new ATOM 0 HE2 PHE A 36 12.565 -2.386 3.749 1.00 1.43 H new ATOM 0 HZ PHE A 36 12.350 -2.952 1.384 1.00 2.54 H new ATOM 555 N GLY A 37 16.899 -6.990 6.985 1.00 15.13 N ATOM 556 CA GLY A 37 17.363 -7.651 8.193 1.00 44.23 C ATOM 557 C GLY A 37 18.718 -8.322 7.966 1.00 13.23 C ATOM 558 O GLY A 37 19.131 -9.177 8.749 1.00 33.14 O ATOM 0 H GLY A 37 17.272 -6.051 6.843 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.444 -6.924 9.001 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.632 -8.396 8.507 1.00 44.23 H new ATOM 562 N ARG A 38 19.374 -7.910 6.891 1.00 71.12 N ATOM 563 CA ARG A 38 20.675 -8.461 6.552 1.00 72.15 C ATOM 564 C ARG A 38 21.607 -7.354 6.054 1.00 53.24 C ATOM 565 O ARG A 38 21.147 -6.298 5.623 1.00 74.14 O ATOM 566 CB ARG A 38 20.552 -9.538 5.471 1.00 13.11 C ATOM 567 CG ARG A 38 21.722 -10.520 5.542 1.00 61.12 C ATOM 568 CD ARG A 38 21.402 -11.810 4.784 1.00 23.15 C ATOM 569 NE ARG A 38 20.100 -12.351 5.235 1.00 44.20 N ATOM 570 CZ ARG A 38 19.947 -13.171 6.297 1.00 15.22 C ATOM 571 NH1 ARG A 38 21.017 -13.550 7.027 1.00 2.45 N ATOM 572 NH2 ARG A 38 18.738 -13.595 6.609 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.029 -7.201 6.244 1.00 71.12 H new ATOM 0 HA ARG A 38 21.089 -8.912 7.454 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.612 -10.076 5.594 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.525 -9.070 4.487 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.615 -10.058 5.121 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.944 -10.752 6.584 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.372 -11.614 3.712 1.00 23.15 H new ATOM 0 HD3 ARG A 38 22.189 -12.545 4.952 1.00 23.15 H new ATOM 0 HE ARG A 38 19.266 -12.088 4.710 1.00 44.20 H new ATOM 0 HH11 ARG A 38 21.948 -13.217 6.778 1.00 2.45 H new ATOM 0 HH12 ARG A 38 20.894 -14.170 7.828 1.00 2.45 H new ATOM 0 HH21 ARG A 38 17.935 -13.303 6.051 1.00 43.34 H new ATOM 0 HH22 ARG A 38 18.605 -14.215 7.408 1.00 43.34 H new ATOM 585 N LYS A 39 22.900 -7.634 6.131 1.00 1.25 N ATOM 586 CA LYS A 39 23.900 -6.674 5.694 1.00 23.04 C ATOM 587 C LYS A 39 24.328 -7.007 4.263 1.00 30.04 C ATOM 588 O LYS A 39 23.760 -7.899 3.633 1.00 3.20 O ATOM 589 CB LYS A 39 25.062 -6.624 6.688 1.00 65.41 C ATOM 590 CG LYS A 39 24.868 -5.494 7.701 1.00 52.45 C ATOM 591 CD LYS A 39 25.967 -5.517 8.764 1.00 54.13 C ATOM 592 CE LYS A 39 27.247 -4.859 8.245 1.00 12.24 C ATOM 593 NZ LYS A 39 28.438 -5.487 8.859 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.278 -8.511 6.489 1.00 1.25 H new ATOM 0 HA LYS A 39 23.482 -5.668 5.676 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.139 -7.577 7.211 1.00 65.41 H new ATOM 0 HB3 LYS A 39 25.999 -6.479 6.151 1.00 65.41 H new ATOM 0 HG2 LYS A 39 24.875 -4.534 7.186 1.00 52.45 H new ATOM 0 HG3 LYS A 39 23.893 -5.592 8.178 1.00 52.45 H new ATOM 0 HD2 LYS A 39 25.624 -4.997 9.658 1.00 54.13 H new ATOM 0 HD3 LYS A 39 26.175 -6.547 9.054 1.00 54.13 H new ATOM 0 HE2 LYS A 39 27.297 -4.953 7.160 1.00 12.24 H new ATOM 0 HE3 LYS A 39 27.233 -3.793 8.472 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 29.298 -5.029 8.496 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 28.396 -5.375 9.892 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 28.458 -6.499 8.621 1.00 2.13 H new ATOM 606 N THR A 40 25.326 -6.273 3.793 1.00 35.13 N ATOM 607 CA THR A 40 25.836 -6.478 2.447 1.00 75.44 C ATOM 608 C THR A 40 26.935 -7.542 2.451 1.00 43.11 C ATOM 609 O THR A 40 27.847 -7.496 3.277 1.00 72.31 O ATOM 610 CB THR A 40 26.302 -5.125 1.906 1.00 74.21 C ATOM 611 OG1 THR A 40 26.930 -4.503 3.024 1.00 42.25 O ATOM 612 CG2 THR A 40 25.133 -4.196 1.570 1.00 52.34 C ATOM 0 H THR A 40 25.795 -5.536 4.319 1.00 35.13 H new ATOM 0 HA THR A 40 25.060 -6.859 1.783 1.00 75.44 H new ATOM 0 HB THR A 40 26.911 -5.279 1.015 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.759 -4.979 3.240 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.518 -3.250 1.190 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.504 -4.662 0.812 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.543 -4.014 2.468 1.00 52.34 H new ATOM 620 N GLY A 41 26.816 -8.476 1.519 1.00 61.55 N ATOM 621 CA GLY A 41 27.788 -9.549 1.405 1.00 62.50 C ATOM 622 C GLY A 41 27.596 -10.583 2.515 1.00 21.13 C ATOM 623 O GLY A 41 28.558 -10.977 3.174 1.00 23.11 O ATOM 0 H GLY A 41 26.060 -8.512 0.835 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.690 -10.032 0.433 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.796 -9.138 1.456 1.00 62.50 H new ATOM 627 N GLN A 42 26.349 -10.994 2.689 1.00 20.11 N ATOM 628 CA GLN A 42 26.018 -11.975 3.709 1.00 50.44 C ATOM 629 C GLN A 42 25.620 -13.302 3.060 1.00 23.41 C ATOM 630 O GLN A 42 25.921 -14.371 3.589 1.00 22.22 O ATOM 631 CB GLN A 42 24.909 -11.460 4.627 1.00 22.15 C ATOM 632 CG GLN A 42 25.308 -10.133 5.277 1.00 43.33 C ATOM 633 CD GLN A 42 26.722 -10.210 5.857 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.016 -10.994 6.745 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.580 -9.356 5.305 1.00 55.35 N ATOM 0 H GLN A 42 25.554 -10.665 2.140 1.00 20.11 H new ATOM 0 HA GLN A 42 26.903 -12.144 4.323 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.991 -11.327 4.055 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.699 -12.199 5.400 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.257 -9.333 4.539 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.600 -9.884 6.067 1.00 43.33 H new ATOM 0 HE21 GLN A 42 27.268 -8.727 4.565 1.00 55.35 H new ATOM 0 HE22 GLN A 42 28.549 -9.331 5.621 1.00 55.35 H new ATOM 644 N ALA A 43 24.950 -13.191 1.922 1.00 70.23 N ATOM 645 CA ALA A 43 24.506 -14.367 1.195 1.00 30.12 C ATOM 646 C ALA A 43 25.598 -15.439 1.256 1.00 64.14 C ATOM 647 O ALA A 43 26.570 -15.384 0.505 1.00 13.20 O ATOM 648 CB ALA A 43 24.152 -13.978 -0.242 1.00 22.12 C ATOM 0 H ALA A 43 24.704 -12.303 1.485 1.00 70.23 H new ATOM 0 HA ALA A 43 23.607 -14.783 1.650 1.00 30.12 H new ATOM 0 HB1 ALA A 43 23.819 -14.862 -0.787 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.354 -13.236 -0.232 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.031 -13.559 -0.733 1.00 22.12 H new ATOM 654 N PRO A 44 25.394 -16.414 2.181 1.00 21.12 N ATOM 655 CA PRO A 44 26.348 -17.497 2.350 1.00 3.52 C ATOM 656 C PRO A 44 26.237 -18.509 1.208 1.00 70.11 C ATOM 657 O PRO A 44 27.048 -19.428 1.107 1.00 13.44 O ATOM 658 CB PRO A 44 26.026 -18.097 3.709 1.00 43.33 C ATOM 659 CG PRO A 44 24.617 -17.637 4.045 1.00 50.30 C ATOM 660 CD PRO A 44 24.253 -16.513 3.088 1.00 14.51 C ATOM 0 HA PRO A 44 27.382 -17.155 2.316 1.00 3.52 H new ATOM 0 HB2 PRO A 44 26.085 -19.185 3.679 1.00 43.33 H new ATOM 0 HB3 PRO A 44 26.737 -17.760 4.463 1.00 43.33 H new ATOM 0 HG2 PRO A 44 23.913 -18.463 3.949 1.00 50.30 H new ATOM 0 HG3 PRO A 44 24.564 -17.291 5.077 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.334 -16.737 2.546 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.089 -15.577 3.621 1.00 14.51 H new ATOM 668 N GLY A 45 25.225 -18.306 0.376 1.00 63.41 N ATOM 669 CA GLY A 45 24.998 -19.190 -0.755 1.00 62.30 C ATOM 670 C GLY A 45 25.652 -18.636 -2.022 1.00 51.31 C ATOM 671 O GLY A 45 25.647 -19.291 -3.064 1.00 1.41 O ATOM 0 H GLY A 45 24.554 -17.543 0.463 1.00 63.41 H new ATOM 0 HA2 GLY A 45 25.401 -20.179 -0.535 1.00 62.30 H new ATOM 0 HA3 GLY A 45 23.927 -19.311 -0.917 1.00 62.30 H new ATOM 675 N TYR A 46 26.200 -17.437 -1.892 1.00 31.42 N ATOM 676 CA TYR A 46 26.858 -16.789 -3.015 1.00 33.33 C ATOM 677 C TYR A 46 27.653 -15.566 -2.553 1.00 21.45 C ATOM 678 O TYR A 46 27.073 -14.565 -2.137 1.00 53.01 O ATOM 679 CB TYR A 46 25.738 -16.331 -3.951 1.00 11.41 C ATOM 680 CG TYR A 46 26.235 -15.660 -5.233 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.468 -15.996 -5.754 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.450 -14.720 -5.869 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.936 -15.364 -6.961 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.918 -14.088 -7.076 1.00 4.30 C ATOM 685 CZ TYR A 46 27.137 -14.442 -7.563 1.00 64.21 C ATOM 686 OH TYR A 46 27.579 -13.847 -8.702 1.00 73.20 O ATOM 0 H TYR A 46 26.202 -16.897 -1.027 1.00 31.42 H new ATOM 0 HA TYR A 46 27.555 -17.473 -3.499 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.126 -17.193 -4.218 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.092 -15.635 -3.415 1.00 11.41 H new ATOM 0 HD1 TYR A 46 28.082 -16.733 -5.257 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.485 -14.458 -5.462 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.899 -15.616 -7.379 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.314 -13.350 -7.583 1.00 4.30 H new ATOM 0 HH TYR A 46 26.905 -13.212 -9.022 1.00 73.20 H new ATOM 696 N SER A 47 28.969 -15.688 -2.640 1.00 61.13 N ATOM 697 CA SER A 47 29.850 -14.606 -2.236 1.00 50.02 C ATOM 698 C SER A 47 29.923 -13.550 -3.342 1.00 61.25 C ATOM 699 O SER A 47 30.306 -13.855 -4.471 1.00 74.42 O ATOM 700 CB SER A 47 31.251 -15.128 -1.908 1.00 64.01 C ATOM 701 OG SER A 47 31.866 -15.747 -3.034 1.00 62.20 O ATOM 0 H SER A 47 29.447 -16.521 -2.985 1.00 61.13 H new ATOM 0 HA SER A 47 29.441 -14.151 -1.334 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.874 -14.303 -1.563 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.189 -15.845 -1.089 1.00 64.01 H new ATOM 0 HG SER A 47 31.583 -15.291 -3.854 1.00 62.20 H new ATOM 707 N TYR A 48 29.549 -12.332 -2.979 1.00 23.43 N ATOM 708 CA TYR A 48 29.567 -11.230 -3.925 1.00 51.03 C ATOM 709 C TYR A 48 30.999 -10.765 -4.197 1.00 50.11 C ATOM 710 O TYR A 48 31.955 -11.369 -3.713 1.00 44.52 O ATOM 711 CB TYR A 48 28.791 -10.092 -3.261 1.00 20.35 C ATOM 712 CG TYR A 48 27.407 -10.497 -2.750 1.00 25.13 C ATOM 713 CD1 TYR A 48 26.842 -11.689 -3.158 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.722 -9.670 -1.882 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.540 -12.070 -2.677 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.420 -10.052 -1.401 1.00 74.50 C ATOM 717 CZ TYR A 48 24.893 -11.233 -1.823 1.00 31.14 C ATOM 718 OH TYR A 48 23.662 -11.593 -1.367 1.00 23.04 O ATOM 0 H TYR A 48 29.232 -12.084 -2.042 1.00 23.43 H new ATOM 0 HA TYR A 48 29.131 -11.533 -4.877 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.376 -9.706 -2.427 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.679 -9.277 -3.976 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.377 -12.335 -3.838 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.163 -8.737 -1.564 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.087 -13.000 -2.988 1.00 31.53 H new ATOM 0 HE2 TYR A 48 24.874 -9.415 -0.721 1.00 74.50 H new ATOM 0 HH TYR A 48 23.523 -11.220 -0.472 1.00 23.04 H new ATOM 728 N THR A 49 31.102 -9.694 -4.971 1.00 5.20 N ATOM 729 CA THR A 49 32.401 -9.142 -5.314 1.00 43.03 C ATOM 730 C THR A 49 33.042 -8.485 -4.088 1.00 11.41 C ATOM 731 O THR A 49 32.424 -8.408 -3.027 1.00 40.24 O ATOM 732 CB THR A 49 32.210 -8.178 -6.488 1.00 0.23 C ATOM 733 OG1 THR A 49 31.032 -7.451 -6.153 1.00 65.43 O ATOM 734 CG2 THR A 49 31.845 -8.902 -7.786 1.00 63.33 C ATOM 0 H THR A 49 30.307 -9.194 -5.370 1.00 5.20 H new ATOM 0 HA THR A 49 33.093 -9.924 -5.625 1.00 43.03 H new ATOM 0 HB THR A 49 33.124 -7.603 -6.637 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.836 -6.802 -6.860 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.721 -8.173 -8.587 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.640 -9.599 -8.050 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.913 -9.450 -7.647 1.00 63.33 H new ATOM 742 N ALA A 50 34.272 -8.031 -4.275 1.00 63.11 N ATOM 743 CA ALA A 50 35.002 -7.384 -3.199 1.00 4.40 C ATOM 744 C ALA A 50 34.521 -5.939 -3.057 1.00 24.52 C ATOM 745 O ALA A 50 34.775 -5.293 -2.042 1.00 65.45 O ATOM 746 CB ALA A 50 36.505 -7.475 -3.475 1.00 22.44 C ATOM 0 H ALA A 50 34.782 -8.098 -5.156 1.00 63.11 H new ATOM 0 HA ALA A 50 34.813 -7.887 -2.251 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.053 -6.989 -2.668 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.801 -8.522 -3.536 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.732 -6.978 -4.418 1.00 22.44 H new ATOM 752 N ALA A 51 33.835 -5.474 -4.091 1.00 22.13 N ATOM 753 CA ALA A 51 33.315 -4.116 -4.094 1.00 24.51 C ATOM 754 C ALA A 51 32.081 -4.045 -3.194 1.00 32.14 C ATOM 755 O ALA A 51 31.774 -2.991 -2.638 1.00 53.32 O ATOM 756 CB ALA A 51 33.015 -3.689 -5.533 1.00 73.13 C ATOM 0 H ALA A 51 33.627 -6.013 -4.932 1.00 22.13 H new ATOM 0 HA ALA A 51 34.053 -3.420 -3.695 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.625 -2.671 -5.537 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.931 -3.729 -6.123 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.275 -4.362 -5.966 1.00 73.13 H new ATOM 762 N ASN A 52 31.405 -5.179 -3.079 1.00 72.12 N ATOM 763 CA ASN A 52 30.211 -5.258 -2.255 1.00 72.03 C ATOM 764 C ASN A 52 30.575 -5.848 -0.892 1.00 44.33 C ATOM 765 O ASN A 52 30.184 -5.313 0.144 1.00 21.23 O ATOM 766 CB ASN A 52 29.159 -6.164 -2.897 1.00 71.24 C ATOM 767 CG ASN A 52 27.753 -5.799 -2.417 1.00 1.21 C ATOM 768 OD1 ASN A 52 27.025 -5.055 -3.054 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.413 -6.360 -1.261 1.00 51.41 N ATOM 0 H ASN A 52 31.662 -6.050 -3.543 1.00 72.12 H new ATOM 0 HA ASN A 52 29.806 -4.252 -2.151 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.211 -6.075 -3.982 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.372 -7.205 -2.652 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.495 -6.177 -0.856 1.00 51.41 H new ATOM 0 HD22 ASN A 52 28.070 -6.973 -0.779 1.00 51.41 H new ATOM 776 N LYS A 53 31.319 -6.944 -0.936 1.00 31.33 N ATOM 777 CA LYS A 53 31.740 -7.612 0.283 1.00 23.25 C ATOM 778 C LYS A 53 32.220 -6.568 1.293 1.00 40.10 C ATOM 779 O LYS A 53 32.104 -6.768 2.501 1.00 44.44 O ATOM 780 CB LYS A 53 32.780 -8.690 -0.029 1.00 41.40 C ATOM 781 CG LYS A 53 32.847 -9.728 1.093 1.00 75.03 C ATOM 782 CD LYS A 53 34.211 -10.421 1.118 1.00 74.12 C ATOM 783 CE LYS A 53 34.107 -11.813 1.746 1.00 55.52 C ATOM 784 NZ LYS A 53 33.642 -11.715 3.148 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.641 -7.386 -1.797 1.00 31.33 H new ATOM 0 HA LYS A 53 30.900 -8.135 0.740 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.529 -9.181 -0.969 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.759 -8.229 -0.162 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.663 -9.244 2.052 1.00 75.03 H new ATOM 0 HG3 LYS A 53 32.061 -10.470 0.954 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.599 -10.504 0.103 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.920 -9.816 1.682 1.00 74.12 H new ATOM 0 HE2 LYS A 53 33.416 -12.428 1.169 1.00 55.52 H new ATOM 0 HE3 LYS A 53 35.078 -12.307 1.712 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 33.738 -12.641 3.611 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 34.217 -11.013 3.656 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 32.644 -11.422 3.163 1.00 13.54 H new ATOM 797 N ASN A 54 32.749 -5.476 0.760 1.00 32.11 N ATOM 798 CA ASN A 54 33.247 -4.400 1.599 1.00 62.53 C ATOM 799 C ASN A 54 32.066 -3.675 2.246 1.00 21.52 C ATOM 800 O ASN A 54 32.050 -3.463 3.458 1.00 54.24 O ATOM 801 CB ASN A 54 34.035 -3.379 0.776 1.00 4.13 C ATOM 802 CG ASN A 54 35.508 -3.778 0.672 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.705 -5.080 0.488 1.00 64.31 O flip ATOM 804 ND2 ASN A 54 36.408 -2.957 0.755 1.00 31.23 N flip ATOM 0 H ASN A 54 32.843 -5.314 -0.243 1.00 32.11 H new ATOM 0 HA ASN A 54 33.901 -4.837 2.354 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.604 -3.301 -0.222 1.00 4.13 H new ATOM 0 HB3 ASN A 54 33.953 -2.394 1.236 1.00 4.13 H new ATOM 0 HD21 ASN A 54 36.188 -1.971 0.897 1.00 31.23 H new ATOM 0 HD22 ASN A 54 37.380 -3.257 0.683 1.00 31.23 H new ATOM 811 N LYS A 55 31.104 -3.313 1.410 1.00 3.10 N ATOM 812 CA LYS A 55 29.921 -2.616 1.885 1.00 52.01 C ATOM 813 C LYS A 55 29.370 -3.338 3.117 1.00 71.13 C ATOM 814 O LYS A 55 29.328 -4.567 3.155 1.00 34.34 O ATOM 815 CB LYS A 55 28.901 -2.461 0.755 1.00 61.43 C ATOM 816 CG LYS A 55 27.693 -1.641 1.216 1.00 35.11 C ATOM 817 CD LYS A 55 28.039 -0.153 1.293 1.00 31.33 C ATOM 818 CE LYS A 55 27.868 0.521 -0.069 1.00 31.13 C ATOM 819 NZ LYS A 55 29.130 0.457 -0.840 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.120 -3.490 0.406 1.00 3.10 H new ATOM 0 HA LYS A 55 30.174 -1.602 2.196 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.371 -1.974 -0.100 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.571 -3.445 0.420 1.00 61.43 H new ATOM 0 HG2 LYS A 55 26.863 -1.790 0.526 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.362 -1.992 2.193 1.00 35.11 H new ATOM 0 HD2 LYS A 55 27.398 0.335 2.027 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.067 -0.032 1.636 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.069 0.031 -0.626 1.00 31.13 H new ATOM 0 HE3 LYS A 55 27.571 1.561 0.068 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 29.105 1.160 -1.606 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 29.932 0.660 -0.210 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.241 -0.494 -1.246 1.00 40.52 H new ATOM 832 N GLY A 56 28.961 -2.542 4.094 1.00 14.34 N ATOM 833 CA GLY A 56 28.414 -3.089 5.325 1.00 1.53 C ATOM 834 C GLY A 56 27.243 -2.244 5.828 1.00 71.44 C ATOM 835 O GLY A 56 27.376 -1.511 6.806 1.00 74.10 O ATOM 0 H GLY A 56 28.997 -1.523 4.059 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.082 -4.113 5.156 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.192 -3.128 6.087 1.00 1.53 H new ATOM 839 N ILE A 57 26.121 -2.375 5.136 1.00 74.01 N ATOM 840 CA ILE A 57 24.926 -1.631 5.500 1.00 43.32 C ATOM 841 C ILE A 57 23.697 -2.519 5.295 1.00 62.24 C ATOM 842 O ILE A 57 23.752 -3.502 4.558 1.00 3.42 O ATOM 843 CB ILE A 57 24.863 -0.308 4.734 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.669 -0.552 3.236 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.097 0.549 5.019 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.182 -0.619 2.878 1.00 32.33 C ATOM 0 H ILE A 57 26.014 -2.985 4.325 1.00 74.01 H new ATOM 0 HA ILE A 57 24.953 -1.360 6.555 1.00 43.32 H new ATOM 0 HB ILE A 57 23.995 0.250 5.085 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.147 0.247 2.669 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.158 -1.483 2.949 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.027 1.484 4.462 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.151 0.765 6.086 1.00 3.00 H new ATOM 0 HG23 ILE A 57 26.993 0.010 4.712 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.073 -0.793 1.808 1.00 32.33 H new ATOM 0 HD12 ILE A 57 22.712 -1.434 3.428 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.701 0.323 3.143 1.00 32.33 H new ATOM 858 N ILE A 58 22.616 -2.142 5.962 1.00 34.44 N ATOM 859 CA ILE A 58 21.375 -2.891 5.863 1.00 71.13 C ATOM 860 C ILE A 58 20.586 -2.403 4.646 1.00 61.15 C ATOM 861 O ILE A 58 20.727 -1.255 4.229 1.00 1.32 O ATOM 862 CB ILE A 58 20.593 -2.809 7.176 1.00 10.41 C ATOM 863 CG1 ILE A 58 21.489 -3.146 8.369 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.345 -3.694 7.127 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.543 -4.657 8.605 1.00 42.52 C ATOM 0 H ILE A 58 22.574 -1.327 6.574 1.00 34.44 H new ATOM 0 HA ILE A 58 21.581 -3.950 5.707 1.00 71.13 H new ATOM 0 HB ILE A 58 20.254 -1.782 7.309 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.495 -2.766 8.192 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.113 -2.648 9.263 1.00 53.34 H new ATOM 0 HG21 ILE A 58 18.807 -3.618 8.072 1.00 13.54 H new ATOM 0 HG22 ILE A 58 18.698 -3.366 6.314 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.640 -4.730 6.960 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.187 -4.869 9.459 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.539 -5.030 8.806 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.942 -5.150 7.718 1.00 42.52 H new ATOM 877 N TRP A 59 19.772 -3.301 4.110 1.00 12.43 N ATOM 878 CA TRP A 59 18.961 -2.978 2.949 1.00 31.13 C ATOM 879 C TRP A 59 17.567 -2.582 3.442 1.00 62.44 C ATOM 880 O TRP A 59 16.727 -3.443 3.696 1.00 4.32 O ATOM 881 CB TRP A 59 18.936 -4.142 1.956 1.00 3.14 C ATOM 882 CG TRP A 59 20.213 -4.280 1.126 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.031 -5.338 1.042 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.789 -3.279 0.261 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.089 -5.093 0.190 1.00 43.14 N ATOM 886 CE2 TRP A 59 21.937 -3.801 -0.301 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.354 -1.976 -0.037 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.745 -3.089 -1.194 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.174 -1.277 -0.932 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.332 -1.788 -1.506 1.00 62.15 C ATOM 0 H TRP A 59 19.657 -4.253 4.459 1.00 12.43 H new ATOM 0 HA TRP A 59 19.388 -2.138 2.401 1.00 31.13 H new ATOM 0 HB2 TRP A 59 18.769 -5.070 2.504 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.089 -4.013 1.282 1.00 3.14 H new ATOM 0 HD1 TRP A 59 20.881 -6.266 1.574 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.844 -5.741 -0.038 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.459 -1.548 0.390 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.639 -3.520 -1.620 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.886 -0.270 -1.195 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.911 -1.184 -2.190 1.00 62.15 H new ATOM 901 N GLY A 60 17.366 -1.278 3.563 1.00 60.12 N ATOM 902 CA GLY A 60 16.090 -0.757 4.020 1.00 61.54 C ATOM 903 C GLY A 60 15.327 -0.089 2.874 1.00 2.44 C ATOM 904 O GLY A 60 15.741 -0.169 1.719 1.00 64.10 O ATOM 0 H GLY A 60 18.066 -0.567 3.352 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.491 -1.567 4.437 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.254 -0.036 4.821 1.00 61.54 H new ATOM 908 N GLU A 61 14.225 0.553 3.234 1.00 1.02 N ATOM 909 CA GLU A 61 13.401 1.234 2.251 1.00 43.51 C ATOM 910 C GLU A 61 13.974 2.620 1.945 1.00 54.24 C ATOM 911 O GLU A 61 13.602 3.245 0.954 1.00 64.13 O ATOM 912 CB GLU A 61 11.949 1.334 2.725 1.00 4.31 C ATOM 913 CG GLU A 61 11.406 -0.041 3.118 1.00 42.02 C ATOM 914 CD GLU A 61 9.877 -0.051 3.104 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.267 -1.038 2.668 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.320 1.017 3.568 1.00 53.22 O1- ATOM 0 H GLU A 61 13.884 0.616 4.193 1.00 1.02 H new ATOM 0 HA GLU A 61 13.409 0.648 1.332 1.00 43.51 H new ATOM 0 HB2 GLU A 61 11.886 2.011 3.577 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.333 1.760 1.933 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.784 -0.796 2.429 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.766 -0.308 4.112 1.00 42.02 H new ATOM 924 N ASP A 62 14.870 3.060 2.817 1.00 41.03 N ATOM 925 CA ASP A 62 15.498 4.359 2.653 1.00 11.04 C ATOM 926 C ASP A 62 16.764 4.207 1.806 1.00 64.11 C ATOM 927 O ASP A 62 17.026 5.022 0.924 1.00 4.51 O ATOM 928 CB ASP A 62 15.903 4.950 4.004 1.00 52.14 C ATOM 929 CG ASP A 62 14.738 5.396 4.890 1.00 62.42 C ATOM 930 OD1 ASP A 62 14.830 5.372 6.127 1.00 35.04 O ATOM 931 OD2 ASP A 62 13.687 5.787 4.252 1.00 62.51 O1- ATOM 0 H ASP A 62 15.175 2.539 3.639 1.00 41.03 H new ATOM 0 HA ASP A 62 14.779 5.021 2.170 1.00 11.04 H new ATOM 0 HB2 ASP A 62 16.489 4.209 4.547 1.00 52.14 H new ATOM 0 HB3 ASP A 62 16.555 5.806 3.829 1.00 52.14 H new ATOM 937 N THR A 63 17.513 3.156 2.104 1.00 73.22 N ATOM 938 CA THR A 63 18.744 2.886 1.381 1.00 3.24 C ATOM 939 C THR A 63 18.434 2.355 -0.021 1.00 11.02 C ATOM 940 O THR A 63 19.203 2.576 -0.956 1.00 1.20 O ATOM 941 CB THR A 63 19.585 1.923 2.222 1.00 40.22 C ATOM 942 OG1 THR A 63 18.842 0.708 2.207 1.00 4.21 O ATOM 943 CG2 THR A 63 19.624 2.319 3.700 1.00 44.33 C ATOM 0 H THR A 63 17.291 2.481 2.836 1.00 73.22 H new ATOM 0 HA THR A 63 19.321 3.798 1.229 1.00 3.24 H new ATOM 0 HB THR A 63 20.601 1.889 1.828 1.00 40.22 H new ATOM 0 HG1 THR A 63 19.386 -0.003 1.808 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.233 1.604 4.252 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.055 3.315 3.798 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.611 2.320 4.103 1.00 44.33 H new ATOM 951 N LEU A 64 17.308 1.667 -0.121 1.00 10.45 N ATOM 952 CA LEU A 64 16.886 1.103 -1.394 1.00 43.40 C ATOM 953 C LEU A 64 16.243 2.199 -2.244 1.00 72.41 C ATOM 954 O LEU A 64 16.112 2.051 -3.458 1.00 42.34 O ATOM 955 CB LEU A 64 15.983 -0.111 -1.168 1.00 75.52 C ATOM 956 CG LEU A 64 16.678 -1.383 -0.679 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.672 -2.349 -0.050 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.475 -2.041 -1.808 1.00 20.25 C ATOM 0 H LEU A 64 16.674 1.486 0.657 1.00 10.45 H new ATOM 0 HA LEU A 64 17.746 0.732 -1.951 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.216 0.162 -0.443 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.471 -0.337 -2.103 1.00 75.52 H new ATOM 0 HG LEU A 64 17.390 -1.106 0.099 1.00 12.32 H new ATOM 0 HD11 LEU A 64 16.191 -3.245 0.289 1.00 31.02 H new ATOM 0 HD12 LEU A 64 15.187 -1.867 0.799 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.920 -2.624 -0.790 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.959 -2.943 -1.434 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.802 -2.303 -2.624 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.233 -1.347 -2.171 1.00 20.25 H new ATOM 970 N MET A 65 15.859 3.276 -1.573 1.00 14.04 N ATOM 971 CA MET A 65 15.233 4.397 -2.252 1.00 64.51 C ATOM 972 C MET A 65 16.273 5.241 -2.992 1.00 44.11 C ATOM 973 O MET A 65 15.958 5.889 -3.989 1.00 35.15 O ATOM 974 CB MET A 65 14.501 5.269 -1.230 1.00 75.32 C ATOM 975 CG MET A 65 13.052 4.807 -1.053 1.00 12.54 C ATOM 976 SD MET A 65 11.994 5.658 -2.211 1.00 72.52 S ATOM 977 CE MET A 65 11.971 4.469 -3.542 1.00 71.41 C ATOM 0 H MET A 65 15.970 3.395 -0.566 1.00 14.04 H new ATOM 0 HA MET A 65 14.525 4.005 -2.982 1.00 64.51 H new ATOM 0 HB2 MET A 65 15.020 5.226 -0.272 1.00 75.32 H new ATOM 0 HB3 MET A 65 14.518 6.309 -1.556 1.00 75.32 H new ATOM 0 HG2 MET A 65 12.983 3.730 -1.209 1.00 12.54 H new ATOM 0 HG3 MET A 65 12.721 5.003 -0.033 1.00 12.54 H new ATOM 0 HE1 MET A 65 10.955 4.370 -3.924 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.629 4.807 -4.343 1.00 71.41 H new ATOM 0 HE3 MET A 65 12.315 3.503 -3.173 1.00 71.41 H new ATOM 987 N GLU A 66 17.492 5.206 -2.475 1.00 20.23 N ATOM 988 CA GLU A 66 18.580 5.960 -3.073 1.00 4.35 C ATOM 989 C GLU A 66 19.393 5.065 -4.012 1.00 12.41 C ATOM 990 O GLU A 66 19.889 5.524 -5.040 1.00 31.41 O ATOM 991 CB GLU A 66 19.474 6.580 -1.998 1.00 2.12 C ATOM 992 CG GLU A 66 20.783 7.094 -2.602 1.00 74.21 C ATOM 993 CD GLU A 66 21.633 7.803 -1.546 1.00 11.01 C ATOM 994 OE1 GLU A 66 21.533 9.028 -1.388 1.00 62.03 O ATOM 995 OE2 GLU A 66 22.420 7.032 -0.873 1.00 61.41 O1- ATOM 0 H GLU A 66 17.750 4.667 -1.648 1.00 20.23 H new ATOM 0 HA GLU A 66 18.152 6.775 -3.658 1.00 4.35 H new ATOM 0 HB2 GLU A 66 18.947 7.401 -1.511 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.691 5.839 -1.229 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.344 6.261 -3.026 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.565 7.781 -3.420 1.00 74.21 H new ATOM 1003 N TYR A 67 19.503 3.802 -3.625 1.00 2.54 N ATOM 1004 CA TYR A 67 20.246 2.839 -4.420 1.00 70.14 C ATOM 1005 C TYR A 67 19.560 2.591 -5.764 1.00 15.44 C ATOM 1006 O TYR A 67 20.227 2.390 -6.778 1.00 20.34 O ATOM 1007 CB TYR A 67 20.247 1.538 -3.614 1.00 71.01 C ATOM 1008 CG TYR A 67 20.589 0.296 -4.437 1.00 33.43 C ATOM 1009 CD1 TYR A 67 19.614 -0.320 -5.195 1.00 25.24 C ATOM 1010 CD2 TYR A 67 21.873 -0.210 -4.423 1.00 73.53 C ATOM 1011 CE1 TYR A 67 19.936 -1.490 -5.971 1.00 12.44 C ATOM 1012 CE2 TYR A 67 22.195 -1.380 -5.198 1.00 50.13 C ATOM 1013 CZ TYR A 67 21.210 -1.962 -5.934 1.00 70.00 C ATOM 1014 OH TYR A 67 21.514 -3.067 -6.666 1.00 1.15 O ATOM 0 H TYR A 67 19.090 3.424 -2.772 1.00 2.54 H new ATOM 0 HA TYR A 67 21.252 3.206 -4.624 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.964 1.629 -2.798 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.265 1.402 -3.162 1.00 71.01 H new ATOM 0 HD1 TYR A 67 18.609 0.075 -5.206 1.00 25.24 H new ATOM 0 HD2 TYR A 67 22.637 0.272 -3.830 1.00 73.53 H new ATOM 0 HE1 TYR A 67 19.182 -1.981 -6.569 1.00 12.44 H new ATOM 0 HE2 TYR A 67 23.196 -1.786 -5.195 1.00 50.13 H new ATOM 0 HH TYR A 67 22.461 -3.290 -6.544 1.00 1.15 H new ATOM 1024 N LEU A 68 18.236 2.614 -5.730 1.00 3.24 N ATOM 1025 CA LEU A 68 17.452 2.393 -6.933 1.00 35.25 C ATOM 1026 C LEU A 68 17.662 3.566 -7.894 1.00 53.11 C ATOM 1027 O LEU A 68 17.586 3.397 -9.110 1.00 15.43 O ATOM 1028 CB LEU A 68 15.984 2.144 -6.579 1.00 63.11 C ATOM 1029 CG LEU A 68 15.605 0.692 -6.280 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.350 0.623 -5.408 1.00 12.31 C ATOM 1031 CD2 LEU A 68 15.450 -0.111 -7.572 1.00 71.44 C ATOM 0 H LEU A 68 17.686 2.782 -4.888 1.00 3.24 H new ATOM 0 HA LEU A 68 17.788 1.493 -7.447 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.732 2.751 -5.710 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.366 2.498 -7.405 1.00 63.11 H new ATOM 0 HG LEU A 68 16.417 0.236 -5.714 1.00 65.23 H new ATOM 0 HD11 LEU A 68 14.102 -0.420 -5.210 1.00 12.31 H new ATOM 0 HD12 LEU A 68 14.533 1.138 -4.465 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.520 1.101 -5.927 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.181 -1.139 -7.331 1.00 71.44 H new ATOM 0 HD22 LEU A 68 14.667 0.335 -8.186 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.391 -0.102 -8.121 1.00 71.44 H new ATOM 1043 N GLU A 69 17.921 4.728 -7.313 1.00 15.25 N ATOM 1044 CA GLU A 69 18.142 5.927 -8.103 1.00 72.12 C ATOM 1045 C GLU A 69 19.435 5.800 -8.911 1.00 22.31 C ATOM 1046 O GLU A 69 19.488 6.205 -10.071 1.00 70.33 O ATOM 1047 CB GLU A 69 18.171 7.171 -7.213 1.00 51.12 C ATOM 1048 CG GLU A 69 18.748 8.371 -7.967 1.00 33.34 C ATOM 1049 CD GLU A 69 18.621 9.651 -7.140 1.00 54.43 C ATOM 1050 OE1 GLU A 69 19.198 9.742 -6.045 1.00 2.44 O ATOM 1051 OE2 GLU A 69 17.894 10.575 -7.671 1.00 3.24 O1- ATOM 0 H GLU A 69 17.983 4.865 -6.304 1.00 15.25 H new ATOM 0 HA GLU A 69 17.311 6.038 -8.800 1.00 72.12 H new ATOM 0 HB2 GLU A 69 17.162 7.402 -6.872 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.770 6.973 -6.324 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.797 8.188 -8.201 1.00 33.34 H new ATOM 0 HG3 GLU A 69 18.226 8.494 -8.916 1.00 33.34 H new ATOM 1059 N ASN A 70 20.445 5.236 -8.265 1.00 1.34 N ATOM 1060 CA ASN A 70 21.735 5.051 -8.908 1.00 62.35 C ATOM 1061 C ASN A 70 22.562 4.045 -8.105 1.00 55.43 C ATOM 1062 O ASN A 70 23.437 4.433 -7.332 1.00 45.53 O ATOM 1063 CB ASN A 70 22.515 6.365 -8.967 1.00 44.13 C ATOM 1064 CG ASN A 70 22.150 7.164 -10.221 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.219 7.952 -10.237 1.00 35.54 O ATOM 1066 ND2 ASN A 70 22.934 6.916 -11.266 1.00 0.54 N ATOM 0 H ASN A 70 20.396 4.901 -7.303 1.00 1.34 H new ATOM 0 HA ASN A 70 21.557 4.692 -9.922 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.302 6.959 -8.078 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.585 6.157 -8.962 1.00 44.13 H new ATOM 0 HD21 ASN A 70 22.773 7.398 -12.150 1.00 0.54 H new ATOM 0 HD22 ASN A 70 23.696 6.243 -11.183 1.00 0.54 H new ATOM 1073 N PRO A 71 22.247 2.740 -8.319 1.00 54.04 N ATOM 1074 CA PRO A 71 22.951 1.676 -7.623 1.00 32.44 C ATOM 1075 C PRO A 71 24.350 1.470 -8.208 1.00 41.31 C ATOM 1076 O PRO A 71 25.170 0.760 -7.629 1.00 74.34 O ATOM 1077 CB PRO A 71 22.060 0.452 -7.771 1.00 13.22 C ATOM 1078 CG PRO A 71 21.124 0.755 -8.931 1.00 74.42 C ATOM 1079 CD PRO A 71 21.216 2.243 -9.227 1.00 62.30 C ATOM 0 HA PRO A 71 23.122 1.903 -6.571 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.653 -0.441 -7.970 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.499 0.264 -6.855 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.404 0.173 -9.809 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.100 0.479 -8.678 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.485 2.424 -10.268 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.262 2.741 -9.053 1.00 62.30 H new ATOM 1087 N LYS A 72 24.579 2.105 -9.349 1.00 40.44 N ATOM 1088 CA LYS A 72 25.865 2.001 -10.017 1.00 22.32 C ATOM 1089 C LYS A 72 26.932 2.702 -9.174 1.00 63.53 C ATOM 1090 O LYS A 72 28.126 2.497 -9.383 1.00 45.42 O ATOM 1091 CB LYS A 72 25.768 2.530 -11.450 1.00 54.30 C ATOM 1092 CG LYS A 72 25.197 1.467 -12.389 1.00 41.01 C ATOM 1093 CD LYS A 72 26.313 0.602 -12.981 1.00 72.43 C ATOM 1094 CE LYS A 72 26.807 -0.427 -11.964 1.00 51.53 C ATOM 1095 NZ LYS A 72 27.433 -1.577 -12.653 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.896 2.693 -9.827 1.00 40.44 H new ATOM 0 HA LYS A 72 26.165 0.957 -10.106 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.135 3.417 -11.472 1.00 54.30 H new ATOM 0 HB3 LYS A 72 26.756 2.834 -11.797 1.00 54.30 H new ATOM 0 HG2 LYS A 72 24.493 0.837 -11.846 1.00 41.01 H new ATOM 0 HG3 LYS A 72 24.640 1.948 -13.193 1.00 41.01 H new ATOM 0 HD2 LYS A 72 25.948 0.091 -13.872 1.00 72.43 H new ATOM 0 HD3 LYS A 72 27.142 1.236 -13.294 1.00 72.43 H new ATOM 0 HE2 LYS A 72 27.527 0.036 -11.289 1.00 51.53 H new ATOM 0 HE3 LYS A 72 25.973 -0.772 -11.352 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 28.239 -1.921 -12.093 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 26.735 -2.340 -12.759 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 27.766 -1.280 -13.592 1.00 51.14 H new ATOM 1108 N LYS A 73 26.462 3.513 -8.238 1.00 4.23 N ATOM 1109 CA LYS A 73 27.361 4.245 -7.361 1.00 34.14 C ATOM 1110 C LYS A 73 27.397 3.564 -5.992 1.00 2.10 C ATOM 1111 O LYS A 73 28.469 3.232 -5.488 1.00 35.44 O ATOM 1112 CB LYS A 73 26.968 5.722 -7.304 1.00 1.20 C ATOM 1113 CG LYS A 73 27.399 6.454 -8.577 1.00 32.13 C ATOM 1114 CD LYS A 73 26.334 6.328 -9.669 1.00 55.50 C ATOM 1115 CE LYS A 73 26.927 6.614 -11.049 1.00 5.11 C ATOM 1116 NZ LYS A 73 27.869 7.754 -10.982 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.470 3.680 -8.067 1.00 4.23 H new ATOM 0 HA LYS A 73 28.378 4.225 -7.754 1.00 34.14 H new ATOM 0 HB2 LYS A 73 25.889 5.810 -7.177 1.00 1.20 H new ATOM 0 HB3 LYS A 73 27.430 6.192 -6.436 1.00 1.20 H new ATOM 0 HG2 LYS A 73 27.574 7.507 -8.354 1.00 32.13 H new ATOM 0 HG3 LYS A 73 28.343 6.043 -8.935 1.00 32.13 H new ATOM 0 HD2 LYS A 73 25.909 5.325 -9.653 1.00 55.50 H new ATOM 0 HD3 LYS A 73 25.519 7.023 -9.469 1.00 55.50 H new ATOM 0 HE2 LYS A 73 27.444 5.729 -11.420 1.00 5.11 H new ATOM 0 HE3 LYS A 73 26.128 6.836 -11.756 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 28.014 8.141 -11.936 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 27.477 8.493 -10.364 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 28.780 7.430 -10.598 1.00 51.34 H new ATOM 1129 N TYR A 74 26.213 3.377 -5.428 1.00 21.02 N ATOM 1130 CA TYR A 74 26.095 2.741 -4.127 1.00 11.41 C ATOM 1131 C TYR A 74 27.037 1.541 -4.015 1.00 42.23 C ATOM 1132 O TYR A 74 27.538 1.239 -2.933 1.00 73.43 O ATOM 1133 CB TYR A 74 24.650 2.251 -4.025 1.00 34.24 C ATOM 1134 CG TYR A 74 24.138 2.113 -2.590 1.00 13.51 C ATOM 1135 CD1 TYR A 74 24.757 1.238 -1.719 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.059 2.861 -2.166 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.276 1.108 -0.368 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.578 2.731 -0.816 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.210 1.860 0.017 1.00 60.53 C ATOM 1140 OH TYR A 74 22.757 1.737 1.293 1.00 63.13 O ATOM 0 H TYR A 74 25.326 3.655 -5.849 1.00 21.02 H new ATOM 0 HA TYR A 74 26.355 3.442 -3.334 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.004 2.943 -4.565 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.569 1.285 -4.523 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.601 0.652 -2.051 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.575 3.545 -2.848 1.00 0.20 H new ATOM 0 HE1 TYR A 74 24.751 0.429 0.324 1.00 30.14 H new ATOM 0 HE2 TYR A 74 21.735 3.311 -0.472 1.00 65.02 H new ATOM 0 HH TYR A 74 22.665 2.626 1.695 1.00 63.13 H new ATOM 1150 N ILE A 75 27.251 0.890 -5.149 1.00 35.22 N ATOM 1151 CA ILE A 75 28.124 -0.271 -5.192 1.00 2.31 C ATOM 1152 C ILE A 75 29.049 -0.163 -6.406 1.00 30.40 C ATOM 1153 O ILE A 75 28.713 -0.634 -7.491 1.00 3.45 O ATOM 1154 CB ILE A 75 27.303 -1.562 -5.157 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.195 -1.478 -4.106 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.204 -2.779 -4.945 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.758 -1.674 -2.697 1.00 1.01 C ATOM 0 H ILE A 75 26.835 1.144 -6.045 1.00 35.22 H new ATOM 0 HA ILE A 75 28.760 -0.302 -4.307 1.00 2.31 H new ATOM 0 HB ILE A 75 26.819 -1.686 -6.126 1.00 64.10 H new ATOM 0 HG12 ILE A 75 25.700 -0.509 -4.172 1.00 71.04 H new ATOM 0 HG13 ILE A 75 25.439 -2.237 -4.308 1.00 71.04 H new ATOM 0 HG21 ILE A 75 27.595 -3.683 -4.924 1.00 52.55 H new ATOM 0 HG22 ILE A 75 28.924 -2.845 -5.761 1.00 52.55 H new ATOM 0 HG23 ILE A 75 28.736 -2.678 -3.999 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.949 -1.609 -1.970 1.00 1.01 H new ATOM 0 HD12 ILE A 75 27.231 -2.653 -2.627 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.496 -0.899 -2.489 1.00 1.01 H new ATOM 1169 N PRO A 76 30.227 0.478 -6.177 1.00 75.43 N ATOM 1170 CA PRO A 76 31.202 0.654 -7.239 1.00 60.41 C ATOM 1171 C PRO A 76 31.933 -0.658 -7.534 1.00 71.21 C ATOM 1172 O PRO A 76 32.804 -1.073 -6.771 1.00 23.43 O ATOM 1173 CB PRO A 76 32.129 1.752 -6.744 1.00 52.32 C ATOM 1174 CG PRO A 76 31.921 1.826 -5.239 1.00 32.44 C ATOM 1175 CD PRO A 76 30.658 1.049 -4.904 1.00 2.31 C ATOM 0 HA PRO A 76 30.745 0.935 -8.188 1.00 60.41 H new ATOM 0 HB2 PRO A 76 33.168 1.524 -6.984 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.894 2.705 -7.218 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.779 1.405 -4.714 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.828 2.863 -4.917 1.00 32.44 H new ATOM 0 HD2 PRO A 76 30.855 0.270 -4.167 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.892 1.700 -4.482 1.00 2.31 H new ATOM 1183 N GLY A 77 31.552 -1.272 -8.644 1.00 41.14 N ATOM 1184 CA GLY A 77 32.161 -2.528 -9.050 1.00 61.20 C ATOM 1185 C GLY A 77 31.218 -3.704 -8.791 1.00 2.42 C ATOM 1186 O GLY A 77 31.642 -4.747 -8.297 1.00 31.14 O ATOM 0 H GLY A 77 30.830 -0.924 -9.275 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.415 -2.487 -10.109 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.093 -2.677 -8.504 1.00 61.20 H new ATOM 1190 N THR A 78 29.955 -3.496 -9.135 1.00 45.32 N ATOM 1191 CA THR A 78 28.948 -4.526 -8.945 1.00 52.32 C ATOM 1192 C THR A 78 28.627 -5.209 -10.275 1.00 15.00 C ATOM 1193 O THR A 78 28.847 -4.637 -11.341 1.00 74.51 O ATOM 1194 CB THR A 78 27.729 -3.879 -8.284 1.00 44.04 C ATOM 1195 OG1 THR A 78 26.783 -4.940 -8.189 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.048 -2.851 -9.190 1.00 71.52 C ATOM 0 H THR A 78 29.606 -2.629 -9.544 1.00 45.32 H new ATOM 0 HA THR A 78 29.310 -5.317 -8.288 1.00 52.32 H new ATOM 0 HB THR A 78 28.032 -3.398 -7.354 1.00 44.04 H new ATOM 0 HG1 THR A 78 25.961 -4.609 -7.770 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.190 -2.422 -8.673 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.755 -2.059 -9.437 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.714 -3.338 -10.106 1.00 71.52 H new ATOM 1204 N LYS A 79 28.111 -6.426 -10.170 1.00 35.35 N ATOM 1205 CA LYS A 79 27.757 -7.193 -11.352 1.00 23.13 C ATOM 1206 C LYS A 79 26.431 -6.675 -11.913 1.00 32.14 C ATOM 1207 O LYS A 79 26.086 -6.956 -13.059 1.00 61.34 O ATOM 1208 CB LYS A 79 27.748 -8.690 -11.035 1.00 4.04 C ATOM 1209 CG LYS A 79 29.033 -9.106 -10.316 1.00 33.42 C ATOM 1210 CD LYS A 79 29.299 -10.603 -10.491 1.00 24.30 C ATOM 1211 CE LYS A 79 30.296 -11.108 -9.446 1.00 10.21 C ATOM 1212 NZ LYS A 79 31.680 -10.763 -9.840 1.00 45.34 N1+ ATOM 0 H LYS A 79 27.930 -6.899 -9.285 1.00 35.35 H new ATOM 0 HA LYS A 79 28.507 -7.060 -12.132 1.00 23.13 H new ATOM 0 HB2 LYS A 79 26.885 -8.928 -10.413 1.00 4.04 H new ATOM 0 HB3 LYS A 79 27.643 -9.260 -11.958 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.875 -8.535 -10.708 1.00 33.42 H new ATOM 0 HG3 LYS A 79 28.954 -8.869 -9.255 1.00 33.42 H new ATOM 0 HD2 LYS A 79 28.363 -11.155 -10.403 1.00 24.30 H new ATOM 0 HD3 LYS A 79 29.688 -10.792 -11.491 1.00 24.30 H new ATOM 0 HE2 LYS A 79 30.068 -10.668 -8.475 1.00 10.21 H new ATOM 0 HE3 LYS A 79 30.201 -12.188 -9.337 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 32.346 -11.143 -9.137 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 31.888 -11.175 -10.772 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 31.780 -9.729 -9.888 1.00 45.34 H new ATOM 1225 N MET A 80 25.724 -5.927 -11.078 1.00 75.05 N ATOM 1226 CA MET A 80 24.444 -5.368 -11.477 1.00 44.10 C ATOM 1227 C MET A 80 24.508 -4.809 -12.900 1.00 15.21 C ATOM 1228 O MET A 80 25.555 -4.331 -13.336 1.00 11.50 O ATOM 1229 CB MET A 80 24.050 -4.251 -10.507 1.00 41.23 C ATOM 1230 CG MET A 80 23.461 -4.827 -9.217 1.00 12.33 C ATOM 1231 SD MET A 80 21.733 -5.208 -9.452 1.00 55.50 S ATOM 1232 CE MET A 80 21.038 -3.567 -9.347 1.00 4.13 C ATOM 0 H MET A 80 26.013 -5.695 -10.128 1.00 75.05 H new ATOM 0 HA MET A 80 23.699 -6.163 -11.453 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.924 -3.643 -10.272 1.00 41.23 H new ATOM 0 HB3 MET A 80 23.322 -3.593 -10.981 1.00 41.23 H new ATOM 0 HG2 MET A 80 24.005 -5.727 -8.929 1.00 12.33 H new ATOM 0 HG3 MET A 80 23.577 -4.111 -8.403 1.00 12.33 H new ATOM 0 HE1 MET A 80 20.241 -3.556 -8.604 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.815 -2.861 -9.055 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.633 -3.280 -10.318 1.00 4.13 H new ATOM 1242 N ILE A 81 23.376 -4.888 -13.584 1.00 73.13 N ATOM 1243 CA ILE A 81 23.291 -4.396 -14.948 1.00 63.41 C ATOM 1244 C ILE A 81 22.036 -3.534 -15.098 1.00 63.43 C ATOM 1245 O ILE A 81 21.223 -3.765 -15.993 1.00 21.32 O ATOM 1246 CB ILE A 81 23.362 -5.557 -15.942 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.442 -6.562 -15.534 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.566 -5.046 -17.369 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.839 -6.023 -15.846 1.00 64.30 C ATOM 0 H ILE A 81 22.510 -5.285 -13.219 1.00 73.13 H new ATOM 0 HA ILE A 81 24.145 -3.758 -15.176 1.00 63.41 H new ATOM 0 HB ILE A 81 22.407 -6.083 -15.922 1.00 65.11 H new ATOM 0 HG12 ILE A 81 24.361 -6.776 -14.468 1.00 3.45 H new ATOM 0 HG13 ILE A 81 24.286 -7.503 -16.061 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.613 -5.892 -18.055 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.733 -4.399 -17.646 1.00 43.10 H new ATOM 0 HG23 ILE A 81 24.497 -4.482 -17.424 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.587 -6.757 -15.546 1.00 64.30 H new ATOM 0 HD12 ILE A 81 25.925 -5.833 -16.916 1.00 64.30 H new ATOM 0 HD13 ILE A 81 26.001 -5.095 -15.298 1.00 64.30 H new ATOM 1261 N PHE A 82 21.916 -2.560 -14.209 1.00 51.30 N ATOM 1262 CA PHE A 82 20.773 -1.663 -14.231 1.00 2.04 C ATOM 1263 C PHE A 82 21.188 -0.257 -14.671 1.00 11.53 C ATOM 1264 O PHE A 82 22.366 0.000 -14.912 1.00 33.35 O ATOM 1265 CB PHE A 82 20.229 -1.598 -12.803 1.00 11.41 C ATOM 1266 CG PHE A 82 18.762 -1.170 -12.715 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.792 -1.954 -13.257 1.00 64.53 C ATOM 1268 CD2 PHE A 82 18.428 -0.007 -12.094 1.00 24.33 C ATOM 1269 CE1 PHE A 82 16.431 -1.559 -13.176 1.00 62.32 C ATOM 1270 CE2 PHE A 82 17.066 0.389 -12.013 1.00 21.13 C ATOM 1271 CZ PHE A 82 16.097 -0.396 -12.556 1.00 52.30 C ATOM 0 H PHE A 82 22.592 -2.372 -13.468 1.00 51.30 H new ATOM 0 HA PHE A 82 20.026 -2.029 -14.935 1.00 2.04 H new ATOM 0 HB2 PHE A 82 20.340 -2.578 -12.338 1.00 11.41 H new ATOM 0 HB3 PHE A 82 20.836 -0.901 -12.225 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.057 -2.878 -13.749 1.00 64.53 H new ATOM 0 HD2 PHE A 82 19.198 0.615 -11.663 1.00 24.33 H new ATOM 0 HE1 PHE A 82 15.661 -2.182 -13.607 1.00 62.32 H new ATOM 0 HE2 PHE A 82 16.800 1.313 -11.521 1.00 21.13 H new ATOM 0 HZ PHE A 82 15.062 -0.095 -12.495 1.00 52.30 H new ATOM 1281 N VAL A 83 20.196 0.616 -14.762 1.00 11.14 N ATOM 1282 CA VAL A 83 20.442 1.989 -15.170 1.00 50.45 C ATOM 1283 C VAL A 83 19.920 2.938 -14.089 1.00 64.23 C ATOM 1284 O VAL A 83 20.600 3.893 -13.715 1.00 22.41 O ATOM 1285 CB VAL A 83 19.821 2.248 -16.544 1.00 72.20 C ATOM 1286 CG1 VAL A 83 20.667 1.622 -17.655 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.379 1.737 -16.598 1.00 22.20 C ATOM 0 H VAL A 83 19.220 0.399 -14.560 1.00 11.14 H new ATOM 0 HA VAL A 83 21.512 2.170 -15.274 1.00 50.45 H new ATOM 0 HB VAL A 83 19.801 3.326 -16.706 1.00 72.20 H new ATOM 0 HG11 VAL A 83 20.203 1.821 -18.621 1.00 12.30 H new ATOM 0 HG12 VAL A 83 21.668 2.053 -17.637 1.00 12.30 H new ATOM 0 HG13 VAL A 83 20.733 0.545 -17.499 1.00 12.30 H new ATOM 0 HG21 VAL A 83 17.960 1.933 -17.585 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.366 0.664 -16.405 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.783 2.249 -15.843 1.00 22.20 H new ATOM 1297 N GLY A 84 18.717 2.643 -13.618 1.00 42.12 N ATOM 1298 CA GLY A 84 18.096 3.458 -12.588 1.00 22.32 C ATOM 1299 C GLY A 84 16.655 3.813 -12.964 1.00 4.23 C ATOM 1300 O GLY A 84 16.268 3.700 -14.126 1.00 44.21 O ATOM 0 H GLY A 84 18.156 1.851 -13.931 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.106 2.922 -11.639 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.674 4.371 -12.444 1.00 22.32 H new ATOM 1304 N ILE A 85 15.902 4.234 -11.959 1.00 0.21 N ATOM 1305 CA ILE A 85 14.514 4.606 -12.170 1.00 22.34 C ATOM 1306 C ILE A 85 14.336 6.094 -11.860 1.00 73.43 C ATOM 1307 O ILE A 85 14.970 6.622 -10.948 1.00 55.21 O ATOM 1308 CB ILE A 85 13.586 3.695 -11.362 1.00 13.11 C ATOM 1309 CG1 ILE A 85 13.770 2.231 -11.767 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.130 4.146 -11.488 1.00 13.43 C ATOM 1311 CD1 ILE A 85 12.962 1.305 -10.854 1.00 71.13 C ATOM 0 H ILE A 85 16.227 4.326 -10.996 1.00 0.21 H new ATOM 0 HA ILE A 85 14.236 4.462 -13.214 1.00 22.34 H new ATOM 0 HB ILE A 85 13.857 3.775 -10.309 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.455 2.094 -12.801 1.00 31.10 H new ATOM 0 HG13 ILE A 85 14.826 1.966 -11.717 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.492 3.482 -10.905 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.031 5.165 -11.114 1.00 13.43 H new ATOM 0 HG23 ILE A 85 11.828 4.112 -12.535 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.110 0.270 -11.163 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.296 1.428 -9.824 1.00 71.13 H new ATOM 0 HD13 ILE A 85 11.904 1.557 -10.925 1.00 71.13 H new ATOM 1323 N LYS A 86 13.470 6.728 -12.637 1.00 70.13 N ATOM 1324 CA LYS A 86 13.201 8.144 -12.456 1.00 52.41 C ATOM 1325 C LYS A 86 12.000 8.317 -11.524 1.00 72.24 C ATOM 1326 O LYS A 86 11.981 9.221 -10.690 1.00 12.14 O ATOM 1327 CB LYS A 86 13.031 8.835 -13.811 1.00 14.22 C ATOM 1328 CG LYS A 86 14.388 9.205 -14.412 1.00 24.43 C ATOM 1329 CD LYS A 86 14.253 10.364 -15.402 1.00 71.23 C ATOM 1330 CE LYS A 86 15.550 11.170 -15.484 1.00 51.35 C ATOM 1331 NZ LYS A 86 15.896 11.732 -14.159 1.00 32.04 N1+ ATOM 0 H LYS A 86 12.946 6.287 -13.393 1.00 70.13 H new ATOM 0 HA LYS A 86 14.049 8.634 -11.978 1.00 52.41 H new ATOM 0 HB2 LYS A 86 12.494 8.177 -14.494 1.00 14.22 H new ATOM 0 HB3 LYS A 86 12.425 9.733 -13.692 1.00 14.22 H new ATOM 0 HG2 LYS A 86 15.079 9.481 -13.616 1.00 24.43 H new ATOM 0 HG3 LYS A 86 14.814 8.338 -14.917 1.00 24.43 H new ATOM 0 HD2 LYS A 86 13.999 9.976 -16.389 1.00 71.23 H new ATOM 0 HD3 LYS A 86 13.435 11.015 -15.095 1.00 71.23 H new ATOM 0 HE2 LYS A 86 16.360 10.532 -15.838 1.00 51.35 H new ATOM 0 HE3 LYS A 86 15.439 11.976 -16.210 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 16.399 12.633 -14.285 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 15.026 11.895 -13.613 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 16.506 11.063 -13.647 1.00 32.04 H new ATOM 1344 N LYS A 87 11.026 7.435 -11.697 1.00 51.43 N ATOM 1345 CA LYS A 87 9.825 7.478 -10.881 1.00 71.11 C ATOM 1346 C LYS A 87 10.150 6.972 -9.474 1.00 30.25 C ATOM 1347 O LYS A 87 10.691 5.880 -9.314 1.00 52.34 O ATOM 1348 CB LYS A 87 8.687 6.713 -11.562 1.00 51.42 C ATOM 1349 CG LYS A 87 8.472 7.211 -12.994 1.00 42.12 C ATOM 1350 CD LYS A 87 8.398 8.739 -13.038 1.00 3.45 C ATOM 1351 CE LYS A 87 7.271 9.259 -12.144 1.00 15.15 C ATOM 1352 NZ LYS A 87 5.953 8.966 -12.749 1.00 2.13 N1+ ATOM 0 H LYS A 87 11.044 6.687 -12.390 1.00 51.43 H new ATOM 0 HA LYS A 87 9.472 8.504 -10.777 1.00 71.11 H new ATOM 0 HB2 LYS A 87 8.916 5.647 -11.574 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.768 6.835 -10.989 1.00 51.42 H new ATOM 0 HG2 LYS A 87 9.287 6.864 -13.630 1.00 42.12 H new ATOM 0 HG3 LYS A 87 7.552 6.787 -13.396 1.00 42.12 H new ATOM 0 HD2 LYS A 87 9.349 9.162 -12.714 1.00 3.45 H new ATOM 0 HD3 LYS A 87 8.235 9.069 -14.064 1.00 3.45 H new ATOM 0 HE2 LYS A 87 7.337 8.796 -11.159 1.00 15.15 H new ATOM 0 HE3 LYS A 87 7.380 10.334 -11.999 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 5.203 9.399 -12.173 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 5.919 9.356 -13.712 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 5.810 7.937 -12.787 1.00 2.13 H new ATOM 1365 N LYS A 88 9.805 7.791 -8.491 1.00 73.34 N ATOM 1366 CA LYS A 88 10.054 7.441 -7.103 1.00 10.55 C ATOM 1367 C LYS A 88 9.032 6.394 -6.656 1.00 15.32 C ATOM 1368 O LYS A 88 9.362 5.486 -5.895 1.00 51.24 O ATOM 1369 CB LYS A 88 10.072 8.696 -6.229 1.00 73.43 C ATOM 1370 CG LYS A 88 10.086 8.329 -4.744 1.00 35.34 C ATOM 1371 CD LYS A 88 10.487 9.531 -3.886 1.00 1.31 C ATOM 1372 CE LYS A 88 9.989 9.368 -2.448 1.00 44.14 C ATOM 1373 NZ LYS A 88 8.552 9.707 -2.355 1.00 21.31 N1+ ATOM 0 H LYS A 88 9.355 8.696 -8.628 1.00 73.34 H new ATOM 0 HA LYS A 88 11.041 6.991 -6.994 1.00 10.55 H new ATOM 0 HB2 LYS A 88 10.950 9.297 -6.467 1.00 73.43 H new ATOM 0 HB3 LYS A 88 9.197 9.309 -6.448 1.00 73.43 H new ATOM 0 HG2 LYS A 88 9.099 7.976 -4.444 1.00 35.34 H new ATOM 0 HG3 LYS A 88 10.783 7.508 -4.575 1.00 35.34 H new ATOM 0 HD2 LYS A 88 11.572 9.639 -3.889 1.00 1.31 H new ATOM 0 HD3 LYS A 88 10.075 10.444 -4.316 1.00 1.31 H new ATOM 0 HE2 LYS A 88 10.149 8.342 -2.116 1.00 44.14 H new ATOM 0 HE3 LYS A 88 10.564 10.012 -1.783 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 8.259 9.706 -1.357 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 8.391 10.650 -2.763 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 7.995 9.003 -2.880 1.00 21.31 H new ATOM 1386 N GLU A 89 7.812 6.555 -7.147 1.00 4.13 N ATOM 1387 CA GLU A 89 6.741 5.634 -6.807 1.00 30.31 C ATOM 1388 C GLU A 89 7.101 4.214 -7.249 1.00 34.03 C ATOM 1389 O GLU A 89 7.046 3.280 -6.451 1.00 20.11 O ATOM 1390 CB GLU A 89 5.417 6.082 -7.429 1.00 13.22 C ATOM 1391 CG GLU A 89 4.801 7.236 -6.635 1.00 72.24 C ATOM 1392 CD GLU A 89 5.321 8.585 -7.137 1.00 43.14 C ATOM 1393 OE1 GLU A 89 6.347 9.076 -6.645 1.00 43.15 O ATOM 1394 OE2 GLU A 89 4.617 9.126 -8.073 1.00 73.44 O1- ATOM 0 H GLU A 89 7.541 7.310 -7.778 1.00 4.13 H new ATOM 0 HA GLU A 89 6.616 5.635 -5.724 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.582 6.393 -8.460 1.00 13.22 H new ATOM 0 HB3 GLU A 89 4.722 5.243 -7.457 1.00 13.22 H new ATOM 0 HG2 GLU A 89 3.715 7.205 -6.724 1.00 72.24 H new ATOM 0 HG3 GLU A 89 5.038 7.122 -5.577 1.00 72.24 H new ATOM 1402 N GLU A 90 7.461 4.097 -8.518 1.00 5.05 N ATOM 1403 CA GLU A 90 7.830 2.806 -9.075 1.00 64.24 C ATOM 1404 C GLU A 90 8.838 2.103 -8.163 1.00 42.35 C ATOM 1405 O GLU A 90 8.787 0.885 -8.000 1.00 45.31 O ATOM 1406 CB GLU A 90 8.387 2.959 -10.492 1.00 25.43 C ATOM 1407 CG GLU A 90 7.256 3.038 -11.519 1.00 31.10 C ATOM 1408 CD GLU A 90 7.802 2.927 -12.945 1.00 25.43 C ATOM 1409 OE1 GLU A 90 9.025 2.965 -13.145 1.00 53.11 O ATOM 1410 OE2 GLU A 90 6.905 2.795 -13.863 1.00 24.22 O1- ATOM 0 H GLU A 90 7.505 4.874 -9.177 1.00 5.05 H new ATOM 0 HA GLU A 90 6.933 2.189 -9.137 1.00 64.24 H new ATOM 0 HB2 GLU A 90 9.000 3.858 -10.551 1.00 25.43 H new ATOM 0 HB3 GLU A 90 9.036 2.115 -10.725 1.00 25.43 H new ATOM 0 HG2 GLU A 90 6.538 2.238 -11.337 1.00 31.10 H new ATOM 0 HG3 GLU A 90 6.720 3.980 -11.403 1.00 31.10 H new ATOM 1418 N ARG A 91 9.729 2.901 -7.593 1.00 31.35 N ATOM 1419 CA ARG A 91 10.746 2.370 -6.701 1.00 20.15 C ATOM 1420 C ARG A 91 10.116 1.934 -5.376 1.00 3.32 C ATOM 1421 O ARG A 91 10.493 0.908 -4.814 1.00 1.04 O ATOM 1422 CB ARG A 91 11.833 3.411 -6.424 1.00 14.11 C ATOM 1423 CG ARG A 91 12.818 3.500 -7.592 1.00 42.25 C ATOM 1424 CD ARG A 91 13.854 4.598 -7.352 1.00 41.32 C ATOM 1425 NE ARG A 91 13.296 5.914 -7.740 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.721 7.094 -7.240 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.716 7.132 -6.327 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.151 8.208 -7.656 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.768 3.911 -7.731 1.00 31.35 H new ATOM 0 HA ARG A 91 11.200 1.509 -7.191 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.374 4.385 -6.256 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.368 3.149 -5.511 1.00 14.11 H new ATOM 0 HG2 ARG A 91 13.321 2.542 -7.722 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.275 3.702 -8.515 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.144 4.612 -6.301 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.755 4.391 -7.929 1.00 41.32 H new ATOM 0 HE ARG A 91 12.543 5.930 -8.428 1.00 5.33 H new ATOM 0 HH11 ARG A 91 15.151 6.265 -6.011 1.00 41.21 H new ATOM 0 HH12 ARG A 91 15.032 8.027 -5.954 1.00 41.21 H new ATOM 0 HH21 ARG A 91 12.401 8.170 -8.346 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.461 9.108 -7.288 1.00 32.24 H new ATOM 1441 N ALA A 92 9.169 2.739 -4.916 1.00 43.14 N ATOM 1442 CA ALA A 92 8.484 2.449 -3.668 1.00 61.50 C ATOM 1443 C ALA A 92 7.799 1.085 -3.771 1.00 12.24 C ATOM 1444 O ALA A 92 8.138 0.159 -3.036 1.00 11.23 O ATOM 1445 CB ALA A 92 7.496 3.575 -3.355 1.00 62.14 C ATOM 0 H ALA A 92 8.860 3.591 -5.385 1.00 43.14 H new ATOM 0 HA ALA A 92 9.195 2.399 -2.843 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.982 3.358 -2.419 1.00 62.14 H new ATOM 0 HB2 ALA A 92 8.036 4.517 -3.263 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.766 3.653 -4.161 1.00 62.14 H new ATOM 1451 N ASP A 93 6.848 1.004 -4.690 1.00 75.33 N ATOM 1452 CA ASP A 93 6.114 -0.233 -4.899 1.00 73.40 C ATOM 1453 C ASP A 93 7.104 -1.383 -5.091 1.00 31.00 C ATOM 1454 O ASP A 93 6.889 -2.482 -4.581 1.00 62.34 O ATOM 1455 CB ASP A 93 5.239 -0.148 -6.152 1.00 62.14 C ATOM 1456 CG ASP A 93 4.534 1.195 -6.359 1.00 74.20 C ATOM 1457 OD1 ASP A 93 4.592 2.085 -5.499 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.897 1.309 -7.475 1.00 64.24 O1- ATOM 0 H ASP A 93 6.569 1.774 -5.298 1.00 75.33 H new ATOM 0 HA ASP A 93 5.482 -0.402 -4.027 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.859 -0.354 -7.024 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.485 -0.934 -6.104 1.00 62.14 H new ATOM 1464 N LEU A 94 8.166 -1.092 -5.827 1.00 12.24 N ATOM 1465 CA LEU A 94 9.189 -2.089 -6.092 1.00 1.33 C ATOM 1466 C LEU A 94 9.707 -2.648 -4.765 1.00 21.32 C ATOM 1467 O LEU A 94 9.612 -3.848 -4.514 1.00 4.12 O ATOM 1468 CB LEU A 94 10.286 -1.505 -6.984 1.00 1.22 C ATOM 1469 CG LEU A 94 11.403 -2.469 -7.390 1.00 64.13 C ATOM 1470 CD1 LEU A 94 12.530 -2.469 -6.356 1.00 14.55 C ATOM 1471 CD2 LEU A 94 10.852 -3.875 -7.636 1.00 54.24 C ATOM 0 H LEU A 94 8.340 -0.180 -6.248 1.00 12.24 H new ATOM 0 HA LEU A 94 8.770 -2.927 -6.648 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.821 -1.116 -7.890 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.735 -0.657 -6.467 1.00 1.22 H new ATOM 0 HG LEU A 94 11.829 -2.121 -8.331 1.00 64.13 H new ATOM 0 HD11 LEU A 94 13.311 -3.162 -6.669 1.00 14.55 H new ATOM 0 HD12 LEU A 94 12.948 -1.466 -6.273 1.00 14.55 H new ATOM 0 HD13 LEU A 94 12.136 -2.779 -5.388 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.667 -4.540 -7.923 1.00 54.24 H new ATOM 0 HD22 LEU A 94 10.384 -4.247 -6.725 1.00 54.24 H new ATOM 0 HD23 LEU A 94 10.112 -3.841 -8.436 1.00 54.24 H new ATOM 1483 N ILE A 95 10.242 -1.750 -3.951 1.00 21.15 N ATOM 1484 CA ILE A 95 10.774 -2.137 -2.656 1.00 63.21 C ATOM 1485 C ILE A 95 9.626 -2.591 -1.753 1.00 63.41 C ATOM 1486 O ILE A 95 9.854 -3.230 -0.726 1.00 23.11 O ATOM 1487 CB ILE A 95 11.614 -1.007 -2.061 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.751 -0.611 -3.006 1.00 32.14 C ATOM 1489 CG2 ILE A 95 12.130 -1.378 -0.669 1.00 73.02 C ATOM 1490 CD1 ILE A 95 13.109 0.867 -2.847 1.00 73.24 C ATOM 0 H ILE A 95 10.318 -0.755 -4.163 1.00 21.15 H new ATOM 0 HA ILE A 95 11.452 -2.984 -2.761 1.00 63.21 H new ATOM 0 HB ILE A 95 10.973 -0.133 -1.944 1.00 43.12 H new ATOM 0 HG12 ILE A 95 13.628 -1.225 -2.802 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.457 -0.808 -4.037 1.00 32.14 H new ATOM 0 HG21 ILE A 95 12.724 -0.556 -0.270 1.00 73.02 H new ATOM 0 HG22 ILE A 95 11.285 -1.570 -0.007 1.00 73.02 H new ATOM 0 HG23 ILE A 95 12.748 -2.273 -0.737 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.920 1.121 -3.530 1.00 73.24 H new ATOM 0 HD12 ILE A 95 12.237 1.479 -3.076 1.00 73.24 H new ATOM 0 HD13 ILE A 95 13.426 1.056 -1.822 1.00 73.24 H new ATOM 1502 N ALA A 96 8.417 -2.244 -2.167 1.00 32.22 N ATOM 1503 CA ALA A 96 7.232 -2.608 -1.407 1.00 61.14 C ATOM 1504 C ALA A 96 6.977 -4.110 -1.557 1.00 33.13 C ATOM 1505 O ALA A 96 6.553 -4.768 -0.609 1.00 22.11 O ATOM 1506 CB ALA A 96 6.045 -1.765 -1.877 1.00 55.41 C ATOM 0 H ALA A 96 8.231 -1.715 -3.019 1.00 32.22 H new ATOM 0 HA ALA A 96 7.378 -2.403 -0.347 1.00 61.14 H new ATOM 0 HB1 ALA A 96 5.157 -2.038 -1.307 1.00 55.41 H new ATOM 0 HB2 ALA A 96 6.265 -0.709 -1.722 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.866 -1.947 -2.937 1.00 55.41 H new ATOM 1512 N TYR A 97 7.245 -4.606 -2.756 1.00 60.33 N ATOM 1513 CA TYR A 97 7.050 -6.017 -3.042 1.00 13.11 C ATOM 1514 C TYR A 97 8.310 -6.821 -2.719 1.00 22.34 C ATOM 1515 O TYR A 97 8.238 -7.857 -2.060 1.00 64.42 O ATOM 1516 CB TYR A 97 6.771 -6.108 -4.543 1.00 3.14 C ATOM 1517 CG TYR A 97 7.060 -7.484 -5.148 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.579 -8.622 -4.534 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.804 -7.586 -6.306 1.00 74.52 C ATOM 1520 CE1 TYR A 97 6.852 -9.917 -5.104 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.076 -8.880 -6.875 1.00 1.23 C ATOM 1522 CZ TYR A 97 7.587 -9.982 -6.246 1.00 73.54 C ATOM 1523 OH TYR A 97 7.844 -11.205 -6.782 1.00 60.45 O ATOM 0 H TYR A 97 7.595 -4.056 -3.540 1.00 60.33 H new ATOM 0 HA TYR A 97 6.236 -6.422 -2.441 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.726 -5.855 -4.724 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.374 -5.361 -5.060 1.00 3.14 H new ATOM 0 HD1 TYR A 97 5.998 -8.542 -3.627 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.182 -6.695 -6.785 1.00 74.52 H new ATOM 0 HE1 TYR A 97 6.481 -10.816 -4.634 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.656 -8.974 -7.781 1.00 1.23 H new ATOM 0 HH TYR A 97 7.249 -11.871 -6.378 1.00 60.45 H new ATOM 1533 N LEU A 98 9.436 -6.315 -3.201 1.00 52.20 N ATOM 1534 CA LEU A 98 10.711 -6.974 -2.972 1.00 32.23 C ATOM 1535 C LEU A 98 10.903 -7.195 -1.470 1.00 0.11 C ATOM 1536 O LEU A 98 11.650 -8.082 -1.061 1.00 31.23 O ATOM 1537 CB LEU A 98 11.846 -6.185 -3.628 1.00 12.22 C ATOM 1538 CG LEU A 98 12.125 -6.508 -5.097 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.185 -5.567 -5.674 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.508 -7.980 -5.273 1.00 14.05 C ATOM 0 H LEU A 98 9.492 -5.457 -3.749 1.00 52.20 H new ATOM 0 HA LEU A 98 10.723 -7.957 -3.443 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.617 -5.122 -3.547 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.759 -6.359 -3.059 1.00 12.22 H new ATOM 0 HG LEU A 98 11.207 -6.345 -5.662 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.364 -5.818 -6.719 1.00 55.52 H new ATOM 0 HD12 LEU A 98 12.835 -4.537 -5.603 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.112 -5.674 -5.111 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.701 -8.182 -6.327 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.405 -8.195 -4.692 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.691 -8.613 -4.926 1.00 14.05 H new ATOM 1552 N LYS A 99 10.217 -6.373 -0.690 1.00 42.13 N ATOM 1553 CA LYS A 99 10.303 -6.468 0.757 1.00 65.14 C ATOM 1554 C LYS A 99 9.362 -7.569 1.248 1.00 74.10 C ATOM 1555 O LYS A 99 9.778 -8.464 1.983 1.00 12.40 O ATOM 1556 CB LYS A 99 10.042 -5.104 1.400 1.00 53.10 C ATOM 1557 CG LYS A 99 10.217 -5.171 2.918 1.00 51.40 C ATOM 1558 CD LYS A 99 9.764 -3.868 3.580 1.00 53.31 C ATOM 1559 CE LYS A 99 10.043 -3.893 5.085 1.00 14.20 C ATOM 1560 NZ LYS A 99 9.052 -4.742 5.782 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.599 -5.638 -1.033 1.00 42.13 H new ATOM 0 HA LYS A 99 11.311 -6.750 1.061 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.726 -4.365 0.984 1.00 53.10 H new ATOM 0 HB3 LYS A 99 9.031 -4.773 1.161 1.00 53.10 H new ATOM 0 HG2 LYS A 99 9.641 -6.006 3.318 1.00 51.40 H new ATOM 0 HG3 LYS A 99 11.263 -5.361 3.159 1.00 51.40 H new ATOM 0 HD2 LYS A 99 10.283 -3.025 3.124 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.698 -3.719 3.406 1.00 53.31 H new ATOM 0 HE2 LYS A 99 11.048 -4.272 5.268 1.00 14.20 H new ATOM 0 HE3 LYS A 99 10.007 -2.879 5.484 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 9.256 -4.748 6.802 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 8.097 -4.363 5.622 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 9.106 -5.713 5.413 1.00 30.50 H new ATOM 1573 N LYS A 100 8.111 -7.469 0.824 1.00 45.50 N ATOM 1574 CA LYS A 100 7.107 -8.446 1.211 1.00 71.42 C ATOM 1575 C LYS A 100 7.496 -9.817 0.654 1.00 15.31 C ATOM 1576 O LYS A 100 6.998 -10.843 1.118 1.00 13.03 O ATOM 1577 CB LYS A 100 5.714 -7.981 0.784 1.00 23.01 C ATOM 1578 CG LYS A 100 4.626 -8.731 1.554 1.00 62.30 C ATOM 1579 CD LYS A 100 3.234 -8.238 1.157 1.00 21.42 C ATOM 1580 CE LYS A 100 2.843 -6.995 1.959 1.00 4.03 C ATOM 1581 NZ LYS A 100 2.361 -7.378 3.306 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.769 -6.725 0.215 1.00 45.50 H new ATOM 0 HA LYS A 100 7.066 -8.542 2.296 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.615 -6.910 0.958 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.585 -8.143 -0.286 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.707 -9.800 1.356 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.773 -8.593 2.625 1.00 62.30 H new ATOM 0 HD2 LYS A 100 3.216 -8.008 0.092 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.503 -9.029 1.325 1.00 21.42 H new ATOM 0 HE2 LYS A 100 3.701 -6.328 2.049 1.00 4.03 H new ATOM 0 HE3 LYS A 100 2.065 -6.444 1.431 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 2.100 -6.523 3.837 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 1.530 -7.996 3.214 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 3.115 -7.884 3.813 1.00 72.11 H new ATOM 1594 N ALA A 101 8.381 -9.791 -0.330 1.00 64.02 N ATOM 1595 CA ALA A 101 8.842 -11.021 -0.956 1.00 24.13 C ATOM 1596 C ALA A 101 10.012 -11.589 -0.150 1.00 72.45 C ATOM 1597 O ALA A 101 10.219 -12.801 -0.119 1.00 21.11 O ATOM 1598 CB ALA A 101 9.217 -10.744 -2.413 1.00 75.14 C ATOM 0 H ALA A 101 8.792 -8.939 -0.711 1.00 64.02 H new ATOM 0 HA ALA A 101 8.050 -11.770 -0.961 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.562 -11.666 -2.881 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.344 -10.370 -2.948 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.012 -9.999 -2.449 1.00 75.14 H new ATOM 1604 N THR A 102 10.749 -10.686 0.481 1.00 15.34 N ATOM 1605 CA THR A 102 11.894 -11.082 1.284 1.00 4.43 C ATOM 1606 C THR A 102 11.602 -10.866 2.770 1.00 51.23 C ATOM 1607 O THR A 102 12.523 -10.791 3.582 1.00 33.25 O ATOM 1608 CB THR A 102 13.113 -10.306 0.784 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.774 -8.941 1.015 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.282 -10.395 -0.734 1.00 73.13 C ATOM 0 H THR A 102 10.575 -9.681 0.452 1.00 15.34 H new ATOM 0 HA THR A 102 12.104 -12.146 1.178 1.00 4.43 H new ATOM 0 HB THR A 102 14.010 -10.686 1.272 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.347 -8.570 0.215 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.162 -9.827 -1.036 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.406 -11.438 -1.026 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.399 -9.984 -1.223 1.00 73.13 H new ATOM 1618 N ASN A 103 10.318 -10.771 3.082 1.00 70.44 N ATOM 1619 CA ASN A 103 9.895 -10.565 4.455 1.00 11.44 C ATOM 1620 C ASN A 103 9.250 -11.848 4.985 1.00 44.21 C ATOM 1621 O ASN A 103 9.340 -12.147 6.174 1.00 20.15 O ATOM 1622 CB ASN A 103 8.860 -9.442 4.550 1.00 54.20 C ATOM 1623 CG ASN A 103 8.197 -9.421 5.929 1.00 33.53 C ATOM 1624 OD1 ASN A 103 7.378 -10.261 6.266 1.00 4.43 O ATOM 1625 ND2 ASN A 103 8.595 -8.418 6.706 1.00 23.31 N ATOM 0 H ASN A 103 9.557 -10.833 2.406 1.00 70.44 H new ATOM 0 HA ASN A 103 10.774 -10.297 5.041 1.00 11.44 H new ATOM 0 HB2 ASN A 103 9.341 -8.483 4.359 1.00 54.20 H new ATOM 0 HB3 ASN A 103 8.101 -9.577 3.780 1.00 54.20 H new ATOM 0 HD21 ASN A 103 8.211 -8.317 7.646 1.00 23.31 H new ATOM 0 HD22 ASN A 103 9.284 -7.749 6.362 1.00 23.31 H new ATOM 1632 N GLU A 104 8.615 -12.572 4.074 1.00 23.13 N ATOM 1633 CA GLU A 104 7.955 -13.815 4.433 1.00 54.13 C ATOM 1634 C GLU A 104 8.930 -14.740 5.165 1.00 73.12 C ATOM 1635 O GLU A 104 9.721 -15.440 4.533 1.00 31.02 O ATOM 1636 CB GLU A 104 7.369 -14.503 3.199 1.00 64.13 C ATOM 1637 CG GLU A 104 6.228 -13.678 2.603 1.00 74.30 C ATOM 1638 CD GLU A 104 5.185 -13.332 3.670 1.00 30.24 C ATOM 1639 OE1 GLU A 104 4.809 -14.200 4.472 1.00 70.41 O ATOM 1640 OE2 GLU A 104 4.765 -12.114 3.646 1.00 71.21 O1- ATOM 0 H GLU A 104 8.544 -12.321 3.088 1.00 23.13 H new ATOM 0 HA GLU A 104 7.128 -13.583 5.105 1.00 54.13 H new ATOM 0 HB2 GLU A 104 8.150 -14.644 2.452 1.00 64.13 H new ATOM 0 HB3 GLU A 104 7.004 -15.494 3.469 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.626 -12.761 2.168 1.00 74.30 H new ATOM 0 HG3 GLU A 104 5.755 -14.236 1.794 1.00 74.30 H new