USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 952 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 35 GLN : amide:sc= -0.723 K(o=-0.43,f=-1.4!) USER MOD Set 1.2: A 52 THR OG1 : rot 41:sc= 0.295 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.95!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 48:sc= 0.339 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.724 K(o=-0.72,f=-8.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -48:sc= 0.916 USER MOD Single : A 30 SER OG : rot -65:sc= 0.568 USER MOD Single : A 41 CYS SG : rot 180:sc= -2.36 USER MOD Single : A 43 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.046) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 128:sc= -3.48! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 57 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.08 K(o=-1.1,f=-8.8!) USER MOD Single : A 74 THR OG1 : rot 38:sc= 0.151 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00904 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0552 USER MOD Single : A 91 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.22) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 173:sc= -1.07 (180deg=-1.15) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00536 USER MOD Single : A 106 GLN : amide:sc= -9.36! C(o=-9.4!,f=-8.3!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.025 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-1.5!) USER MOD Single : A 118 HIS : no HD1:sc=-0.000429 X(o=-0.00043,f=-0.12) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.0225 X(o=-0.022,f=-0.19) USER MOD Single : A 121 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.38) USER MOD Single : A 122 HIS : no HD1:sc= -0.055 X(o=-0.055,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.053 -80.596 30.955 1.00 0.00 N ATOM 2 CA MET A 1 16.947 -80.835 29.985 1.00 0.00 C ATOM 3 C MET A 1 16.057 -81.985 30.470 1.00 0.00 C ATOM 4 O MET A 1 16.502 -83.103 30.628 1.00 0.00 O ATOM 5 CB MET A 1 17.643 -81.210 28.676 1.00 0.00 C ATOM 6 CG MET A 1 16.625 -81.198 27.530 1.00 0.00 C ATOM 7 SD MET A 1 17.268 -80.218 26.149 1.00 0.00 S ATOM 8 CE MET A 1 18.353 -81.490 25.456 1.00 0.00 C ATOM 0 H1 MET A 1 18.649 -79.815 30.616 1.00 0.00 H new ATOM 0 H2 MET A 1 17.654 -80.349 31.883 1.00 0.00 H new ATOM 0 H3 MET A 1 18.629 -81.457 31.044 1.00 0.00 H new ATOM 0 HA MET A 1 16.303 -79.963 29.869 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.449 -80.507 28.467 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.096 -82.198 28.763 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.422 -82.217 27.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.680 -80.780 27.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.861 -81.095 24.577 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.092 -81.783 26.201 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.760 -82.359 25.172 1.00 0.00 H new ATOM 17 N GLU A 2 14.800 -81.712 30.704 1.00 0.00 N ATOM 18 CA GLU A 2 13.877 -82.786 31.178 1.00 0.00 C ATOM 19 C GLU A 2 12.423 -82.322 31.059 1.00 0.00 C ATOM 20 O GLU A 2 11.649 -82.866 30.294 1.00 0.00 O ATOM 21 CB GLU A 2 14.251 -83.010 32.644 1.00 0.00 C ATOM 22 CG GLU A 2 13.427 -84.167 33.211 1.00 0.00 C ATOM 23 CD GLU A 2 14.226 -84.877 34.304 1.00 0.00 C ATOM 24 OE1 GLU A 2 14.386 -84.295 35.365 1.00 0.00 O ATOM 25 OE2 GLU A 2 14.664 -85.989 34.064 1.00 0.00 O ATOM 0 H GLU A 2 14.373 -80.793 30.588 1.00 0.00 H new ATOM 0 HA GLU A 2 13.968 -83.700 30.590 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.315 -83.232 32.729 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.067 -82.103 33.220 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.488 -83.793 33.618 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.173 -84.870 32.417 1.00 0.00 H new ATOM 32 N TYR A 3 12.047 -81.319 31.807 1.00 0.00 N ATOM 33 CA TYR A 3 10.642 -80.819 31.735 1.00 0.00 C ATOM 34 C TYR A 3 10.620 -79.398 31.163 1.00 0.00 C ATOM 35 O TYR A 3 9.700 -79.014 30.466 1.00 0.00 O ATOM 36 CB TYR A 3 10.146 -80.821 33.183 1.00 0.00 C ATOM 37 CG TYR A 3 9.244 -82.010 33.408 1.00 0.00 C ATOM 38 CD1 TYR A 3 9.711 -83.305 33.148 1.00 0.00 C ATOM 39 CD2 TYR A 3 7.938 -81.819 33.876 1.00 0.00 C ATOM 40 CE1 TYR A 3 8.873 -84.407 33.359 1.00 0.00 C ATOM 41 CE2 TYR A 3 7.101 -82.922 34.085 1.00 0.00 C ATOM 42 CZ TYR A 3 7.568 -84.215 33.827 1.00 0.00 C ATOM 43 OH TYR A 3 6.742 -85.302 34.033 1.00 0.00 O ATOM 0 H TYR A 3 12.651 -80.825 32.464 1.00 0.00 H new ATOM 0 HA TYR A 3 10.015 -81.434 31.089 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.993 -80.860 33.868 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.607 -79.898 33.395 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.717 -83.453 32.785 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.576 -80.821 34.076 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.234 -85.405 33.161 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.094 -82.774 34.446 1.00 0.00 H new ATOM 0 HH TYR A 3 5.871 -84.994 34.360 1.00 0.00 H new ATOM 53 N LEU A 4 11.623 -78.615 31.454 1.00 0.00 N ATOM 54 CA LEU A 4 11.662 -77.218 30.928 1.00 0.00 C ATOM 55 C LEU A 4 11.812 -77.233 29.403 1.00 0.00 C ATOM 56 O LEU A 4 12.861 -77.549 28.876 1.00 0.00 O ATOM 57 CB LEU A 4 12.893 -76.576 31.583 1.00 0.00 C ATOM 58 CG LEU A 4 12.492 -75.266 32.274 1.00 0.00 C ATOM 59 CD1 LEU A 4 11.881 -74.306 31.249 1.00 0.00 C ATOM 60 CD2 LEU A 4 11.468 -75.556 33.377 1.00 0.00 C ATOM 0 H LEU A 4 12.419 -78.882 32.034 1.00 0.00 H new ATOM 0 HA LEU A 4 10.749 -76.667 31.154 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.329 -77.262 32.309 1.00 0.00 H new ATOM 0 HB3 LEU A 4 13.657 -76.381 30.830 1.00 0.00 H new ATOM 0 HG LEU A 4 13.378 -74.808 32.714 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.598 -73.377 31.744 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.612 -74.093 30.469 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.998 -74.764 30.803 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.186 -74.623 33.866 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.583 -76.019 32.940 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.906 -76.232 34.111 1.00 0.00 H new ATOM 72 N SER A 5 10.768 -76.895 28.693 1.00 0.00 N ATOM 73 CA SER A 5 10.847 -76.890 27.204 1.00 0.00 C ATOM 74 C SER A 5 11.295 -75.513 26.704 1.00 0.00 C ATOM 75 O SER A 5 10.511 -74.751 26.171 1.00 0.00 O ATOM 76 CB SER A 5 9.428 -77.198 26.732 1.00 0.00 C ATOM 77 OG SER A 5 9.437 -77.416 25.328 1.00 0.00 O ATOM 0 H SER A 5 9.865 -76.622 29.080 1.00 0.00 H new ATOM 0 HA SER A 5 11.568 -77.615 26.825 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.045 -78.080 27.246 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.763 -76.371 26.979 1.00 0.00 H new ATOM 0 HG SER A 5 8.528 -77.616 25.022 1.00 0.00 H new ATOM 83 N ALA A 6 12.549 -75.191 26.869 1.00 0.00 N ATOM 84 CA ALA A 6 13.051 -73.864 26.403 1.00 0.00 C ATOM 85 C ALA A 6 14.576 -73.911 26.230 1.00 0.00 C ATOM 86 O ALA A 6 15.111 -74.855 25.682 1.00 0.00 O ATOM 87 CB ALA A 6 12.646 -72.887 27.513 1.00 0.00 C ATOM 0 H ALA A 6 13.250 -75.789 27.307 1.00 0.00 H new ATOM 0 HA ALA A 6 12.640 -73.569 25.437 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.977 -71.882 27.252 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.562 -72.894 27.626 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.110 -73.190 28.451 1.00 0.00 H new ATOM 93 N LEU A 7 15.283 -72.908 26.688 1.00 0.00 N ATOM 94 CA LEU A 7 16.767 -72.911 26.540 1.00 0.00 C ATOM 95 C LEU A 7 17.435 -72.681 27.900 1.00 0.00 C ATOM 96 O LEU A 7 18.118 -73.543 28.419 1.00 0.00 O ATOM 97 CB LEU A 7 17.075 -71.756 25.585 1.00 0.00 C ATOM 98 CG LEU A 7 18.313 -72.086 24.743 1.00 0.00 C ATOM 99 CD1 LEU A 7 19.506 -72.366 25.662 1.00 0.00 C ATOM 100 CD2 LEU A 7 18.033 -73.320 23.883 1.00 0.00 C ATOM 0 H LEU A 7 14.895 -72.089 27.157 1.00 0.00 H new ATOM 0 HA LEU A 7 17.142 -73.861 26.160 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.220 -71.574 24.934 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.244 -70.840 26.152 1.00 0.00 H new ATOM 0 HG LEU A 7 18.545 -71.237 24.099 1.00 0.00 H new ATOM 0 HD11 LEU A 7 20.383 -72.600 25.059 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.710 -71.486 26.272 1.00 0.00 H new ATOM 0 HD13 LEU A 7 19.275 -73.212 26.310 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.914 -73.554 23.285 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.797 -74.167 24.528 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.189 -73.120 23.223 1.00 0.00 H new ATOM 112 N ASN A 8 17.234 -71.528 28.486 1.00 0.00 N ATOM 113 CA ASN A 8 17.851 -71.242 29.817 1.00 0.00 C ATOM 114 C ASN A 8 17.481 -69.827 30.288 1.00 0.00 C ATOM 115 O ASN A 8 16.933 -69.663 31.360 1.00 0.00 O ATOM 116 CB ASN A 8 19.366 -71.358 29.602 1.00 0.00 C ATOM 117 CG ASN A 8 19.917 -72.507 30.451 1.00 0.00 C ATOM 118 OD1 ASN A 8 19.262 -73.514 30.631 1.00 0.00 O ATOM 119 ND2 ASN A 8 21.105 -72.396 30.982 1.00 0.00 N ATOM 0 H ASN A 8 16.669 -70.772 28.100 1.00 0.00 H new ATOM 0 HA ASN A 8 17.498 -71.933 30.582 1.00 0.00 H new ATOM 0 HB2 ASN A 8 19.582 -71.535 28.548 1.00 0.00 H new ATOM 0 HB3 ASN A 8 19.855 -70.423 29.875 1.00 0.00 H new ATOM 0 HD21 ASN A 8 21.483 -73.155 31.548 1.00 0.00 H new ATOM 0 HD22 ASN A 8 21.654 -71.550 30.830 1.00 0.00 H new ATOM 126 N PRO A 9 17.786 -68.843 29.474 1.00 0.00 N ATOM 127 CA PRO A 9 17.463 -67.441 29.838 1.00 0.00 C ATOM 128 C PRO A 9 15.959 -67.185 29.695 1.00 0.00 C ATOM 129 O PRO A 9 15.368 -67.464 28.671 1.00 0.00 O ATOM 130 CB PRO A 9 18.255 -66.613 28.829 1.00 0.00 C ATOM 131 CG PRO A 9 18.443 -67.513 27.649 1.00 0.00 C ATOM 132 CD PRO A 9 18.450 -68.931 28.165 1.00 0.00 C ATOM 0 HA PRO A 9 17.716 -67.198 30.870 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.715 -65.707 28.552 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.214 -66.299 29.242 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.640 -67.371 26.925 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.378 -67.285 27.137 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.916 -69.602 27.492 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.466 -69.315 28.259 1.00 0.00 H new ATOM 140 N SER A 10 15.340 -66.657 30.716 1.00 0.00 N ATOM 141 CA SER A 10 13.875 -66.383 30.644 1.00 0.00 C ATOM 142 C SER A 10 13.609 -65.142 29.788 1.00 0.00 C ATOM 143 O SER A 10 12.746 -65.139 28.933 1.00 0.00 O ATOM 144 CB SER A 10 13.442 -66.140 32.089 1.00 0.00 C ATOM 145 OG SER A 10 12.163 -66.722 32.303 1.00 0.00 O ATOM 0 H SER A 10 15.785 -66.403 31.598 1.00 0.00 H new ATOM 0 HA SER A 10 13.325 -67.207 30.188 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.170 -66.572 32.776 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.406 -65.070 32.294 1.00 0.00 H new ATOM 0 HG SER A 10 11.885 -66.568 33.230 1.00 0.00 H new ATOM 151 N ASP A 11 14.345 -64.085 30.014 1.00 0.00 N ATOM 152 CA ASP A 11 14.138 -62.843 29.218 1.00 0.00 C ATOM 153 C ASP A 11 15.096 -62.811 28.025 1.00 0.00 C ATOM 154 O ASP A 11 16.185 -63.348 28.077 1.00 0.00 O ATOM 155 CB ASP A 11 14.444 -61.698 30.183 1.00 0.00 C ATOM 156 CG ASP A 11 13.473 -60.541 29.933 1.00 0.00 C ATOM 157 OD1 ASP A 11 13.223 -60.245 28.774 1.00 0.00 O ATOM 158 OD2 ASP A 11 12.996 -59.973 30.901 1.00 0.00 O ATOM 0 H ASP A 11 15.082 -64.030 30.717 1.00 0.00 H new ATOM 0 HA ASP A 11 13.128 -62.776 28.814 1.00 0.00 H new ATOM 0 HB2 ASP A 11 14.356 -62.044 31.213 1.00 0.00 H new ATOM 0 HB3 ASP A 11 15.471 -61.360 30.047 1.00 0.00 H new ATOM 163 N LEU A 12 14.700 -62.184 26.949 1.00 0.00 N ATOM 164 CA LEU A 12 15.586 -62.115 25.750 1.00 0.00 C ATOM 165 C LEU A 12 15.808 -60.657 25.341 1.00 0.00 C ATOM 166 O LEU A 12 14.892 -59.973 24.925 1.00 0.00 O ATOM 167 CB LEU A 12 14.832 -62.871 24.656 1.00 0.00 C ATOM 168 CG LEU A 12 14.767 -64.356 25.012 1.00 0.00 C ATOM 169 CD1 LEU A 12 13.465 -64.647 25.760 1.00 0.00 C ATOM 170 CD2 LEU A 12 14.814 -65.190 23.729 1.00 0.00 C ATOM 0 H LEU A 12 13.799 -61.716 26.849 1.00 0.00 H new ATOM 0 HA LEU A 12 16.570 -62.545 25.937 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.825 -62.468 24.549 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.332 -62.738 23.697 1.00 0.00 H new ATOM 0 HG LEU A 12 15.615 -64.614 25.646 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.420 -65.706 26.013 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.430 -64.054 26.674 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.616 -64.389 25.127 1.00 0.00 H new ATOM 0 HD21 LEU A 12 14.768 -66.249 23.982 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.966 -64.931 23.095 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.742 -64.985 23.195 1.00 0.00 H new ATOM 182 N LEU A 13 17.016 -60.175 25.455 1.00 0.00 N ATOM 183 CA LEU A 13 17.299 -58.760 25.073 1.00 0.00 C ATOM 184 C LEU A 13 18.467 -58.702 24.085 1.00 0.00 C ATOM 185 O LEU A 13 19.334 -59.554 24.082 1.00 0.00 O ATOM 186 CB LEU A 13 17.662 -58.055 26.383 1.00 0.00 C ATOM 187 CG LEU A 13 18.840 -58.773 27.049 1.00 0.00 C ATOM 188 CD1 LEU A 13 19.709 -57.750 27.783 1.00 0.00 C ATOM 189 CD2 LEU A 13 18.309 -59.807 28.049 1.00 0.00 C ATOM 0 H LEU A 13 17.821 -60.700 25.797 1.00 0.00 H new ATOM 0 HA LEU A 13 16.447 -58.288 24.583 1.00 0.00 H new ATOM 0 HB2 LEU A 13 17.922 -57.015 26.187 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.802 -58.048 27.053 1.00 0.00 H new ATOM 0 HG LEU A 13 19.437 -59.278 26.289 1.00 0.00 H new ATOM 0 HD11 LEU A 13 20.548 -58.259 28.258 1.00 0.00 H new ATOM 0 HD12 LEU A 13 20.086 -57.015 27.071 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.113 -57.246 28.544 1.00 0.00 H new ATOM 0 HD21 LEU A 13 19.147 -60.318 28.523 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.713 -59.304 28.810 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.689 -60.535 27.525 1.00 0.00 H new ATOM 201 N ARG A 14 18.496 -57.699 23.244 1.00 0.00 N ATOM 202 CA ARG A 14 19.608 -57.582 22.254 1.00 0.00 C ATOM 203 C ARG A 14 19.524 -56.242 21.516 1.00 0.00 C ATOM 204 O ARG A 14 20.526 -55.620 21.222 1.00 0.00 O ATOM 205 CB ARG A 14 19.403 -58.746 21.278 1.00 0.00 C ATOM 206 CG ARG A 14 18.019 -58.639 20.629 1.00 0.00 C ATOM 207 CD ARG A 14 17.729 -59.912 19.829 1.00 0.00 C ATOM 208 NE ARG A 14 16.497 -60.480 20.445 1.00 0.00 N ATOM 209 CZ ARG A 14 16.494 -61.706 20.891 1.00 0.00 C ATOM 210 NH1 ARG A 14 17.152 -62.007 21.977 1.00 0.00 N ATOM 211 NH2 ARG A 14 15.836 -62.633 20.250 1.00 0.00 N ATOM 0 H ARG A 14 17.798 -56.957 23.201 1.00 0.00 H new ATOM 0 HA ARG A 14 20.587 -57.621 22.732 1.00 0.00 H new ATOM 0 HB2 ARG A 14 20.177 -58.730 20.511 1.00 0.00 H new ATOM 0 HB3 ARG A 14 19.496 -59.696 21.805 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.257 -58.497 21.395 1.00 0.00 H new ATOM 0 HG3 ARG A 14 17.979 -57.769 19.974 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.576 -59.689 18.773 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.560 -60.614 19.889 1.00 0.00 H new ATOM 0 HE ARG A 14 15.655 -59.909 20.518 1.00 0.00 H new ATOM 0 HH11 ARG A 14 17.669 -61.284 22.477 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.150 -62.966 22.326 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.324 -62.399 19.400 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.834 -63.591 20.599 1.00 0.00 H new ATOM 225 N SER A 15 18.332 -55.793 21.213 1.00 0.00 N ATOM 226 CA SER A 15 18.179 -54.495 20.491 1.00 0.00 C ATOM 227 C SER A 15 18.914 -53.375 21.235 1.00 0.00 C ATOM 228 O SER A 15 18.539 -52.991 22.326 1.00 0.00 O ATOM 229 CB SER A 15 16.674 -54.224 20.475 1.00 0.00 C ATOM 230 OG SER A 15 16.145 -54.442 21.777 1.00 0.00 O ATOM 0 H SER A 15 17.458 -56.270 21.435 1.00 0.00 H new ATOM 0 HA SER A 15 18.600 -54.536 19.487 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.480 -53.199 20.158 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.182 -54.879 19.755 1.00 0.00 H new ATOM 0 HG SER A 15 16.708 -53.989 22.439 1.00 0.00 H new ATOM 236 N VAL A 16 19.959 -52.850 20.651 1.00 0.00 N ATOM 237 CA VAL A 16 20.721 -51.756 21.320 1.00 0.00 C ATOM 238 C VAL A 16 20.044 -50.408 21.060 1.00 0.00 C ATOM 239 O VAL A 16 19.547 -50.149 19.980 1.00 0.00 O ATOM 240 CB VAL A 16 22.111 -51.795 20.680 1.00 0.00 C ATOM 241 CG1 VAL A 16 22.974 -50.668 21.252 1.00 0.00 C ATOM 242 CG2 VAL A 16 22.771 -53.142 20.981 1.00 0.00 C ATOM 0 H VAL A 16 20.318 -53.132 19.739 1.00 0.00 H new ATOM 0 HA VAL A 16 20.768 -51.883 22.402 1.00 0.00 H new ATOM 0 HB VAL A 16 22.016 -51.666 19.602 1.00 0.00 H new ATOM 0 HG11 VAL A 16 23.963 -50.699 20.794 1.00 0.00 H new ATOM 0 HG12 VAL A 16 22.505 -49.707 21.039 1.00 0.00 H new ATOM 0 HG13 VAL A 16 23.069 -50.794 22.330 1.00 0.00 H new ATOM 0 HG21 VAL A 16 23.761 -53.172 20.526 1.00 0.00 H new ATOM 0 HG22 VAL A 16 22.863 -53.269 22.060 1.00 0.00 H new ATOM 0 HG23 VAL A 16 22.159 -53.946 20.572 1.00 0.00 H new ATOM 252 N SER A 17 20.021 -49.546 22.042 1.00 0.00 N ATOM 253 CA SER A 17 19.377 -48.214 21.855 1.00 0.00 C ATOM 254 C SER A 17 20.429 -47.168 21.475 1.00 0.00 C ATOM 255 O SER A 17 21.153 -46.670 22.314 1.00 0.00 O ATOM 256 CB SER A 17 18.755 -47.881 23.211 1.00 0.00 C ATOM 257 OG SER A 17 17.918 -48.956 23.619 1.00 0.00 O ATOM 0 H SER A 17 20.421 -49.708 22.966 1.00 0.00 H new ATOM 0 HA SER A 17 18.634 -48.222 21.057 1.00 0.00 H new ATOM 0 HB2 SER A 17 19.537 -47.712 23.951 1.00 0.00 H new ATOM 0 HB3 SER A 17 18.176 -46.960 23.143 1.00 0.00 H new ATOM 0 HG SER A 17 17.518 -48.747 24.489 1.00 0.00 H new ATOM 263 N ASN A 18 20.514 -46.831 20.214 1.00 0.00 N ATOM 264 CA ASN A 18 21.518 -45.816 19.778 1.00 0.00 C ATOM 265 C ASN A 18 20.811 -44.564 19.250 1.00 0.00 C ATOM 266 O ASN A 18 20.496 -44.460 18.082 1.00 0.00 O ATOM 267 CB ASN A 18 22.320 -46.497 18.664 1.00 0.00 C ATOM 268 CG ASN A 18 21.376 -46.989 17.559 1.00 0.00 C ATOM 269 OD1 ASN A 18 20.172 -46.874 17.672 1.00 0.00 O ATOM 270 ND2 ASN A 18 21.879 -47.537 16.487 1.00 0.00 N ATOM 0 H ASN A 18 19.932 -47.214 19.469 1.00 0.00 H new ATOM 0 HA ASN A 18 22.160 -45.493 20.598 1.00 0.00 H new ATOM 0 HB2 ASN A 18 23.046 -45.798 18.248 1.00 0.00 H new ATOM 0 HB3 ASN A 18 22.883 -47.336 19.072 1.00 0.00 H new ATOM 0 HD21 ASN A 18 21.261 -47.868 15.746 1.00 0.00 H new ATOM 0 HD22 ASN A 18 22.890 -47.634 16.390 1.00 0.00 H new ATOM 277 N ILE A 19 20.562 -43.610 20.109 1.00 0.00 N ATOM 278 CA ILE A 19 19.875 -42.360 19.664 1.00 0.00 C ATOM 279 C ILE A 19 20.814 -41.527 18.786 1.00 0.00 C ATOM 280 O ILE A 19 22.011 -41.494 18.998 1.00 0.00 O ATOM 281 CB ILE A 19 19.535 -41.610 20.952 1.00 0.00 C ATOM 282 CG1 ILE A 19 18.633 -42.481 21.830 1.00 0.00 C ATOM 283 CG2 ILE A 19 18.805 -40.310 20.611 1.00 0.00 C ATOM 284 CD1 ILE A 19 18.505 -41.851 23.216 1.00 0.00 C ATOM 0 H ILE A 19 20.804 -43.642 21.099 1.00 0.00 H new ATOM 0 HA ILE A 19 18.985 -42.567 19.070 1.00 0.00 H new ATOM 0 HB ILE A 19 20.456 -41.381 21.489 1.00 0.00 H new ATOM 0 HG12 ILE A 19 17.649 -42.580 21.372 1.00 0.00 H new ATOM 0 HG13 ILE A 19 19.049 -43.485 21.913 1.00 0.00 H new ATOM 0 HG21 ILE A 19 18.563 -39.777 21.530 1.00 0.00 H new ATOM 0 HG22 ILE A 19 19.445 -39.686 19.987 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.886 -40.540 20.072 1.00 0.00 H new ATOM 0 HD11 ILE A 19 17.863 -42.472 23.840 1.00 0.00 H new ATOM 0 HD12 ILE A 19 19.491 -41.775 23.674 1.00 0.00 H new ATOM 0 HD13 ILE A 19 18.070 -40.856 23.125 1.00 0.00 H new ATOM 296 N SER A 20 20.279 -40.853 17.803 1.00 0.00 N ATOM 297 CA SER A 20 21.136 -40.018 16.912 1.00 0.00 C ATOM 298 C SER A 20 20.384 -38.757 16.482 1.00 0.00 C ATOM 299 O SER A 20 19.571 -38.785 15.581 1.00 0.00 O ATOM 300 CB SER A 20 21.431 -40.906 15.703 1.00 0.00 C ATOM 301 OG SER A 20 22.720 -41.485 15.848 1.00 0.00 O ATOM 0 H SER A 20 19.284 -40.845 17.578 1.00 0.00 H new ATOM 0 HA SER A 20 22.049 -39.687 17.408 1.00 0.00 H new ATOM 0 HB2 SER A 20 20.676 -41.688 15.619 1.00 0.00 H new ATOM 0 HB3 SER A 20 21.385 -40.318 14.786 1.00 0.00 H new ATOM 0 HG SER A 20 22.911 -42.056 15.075 1.00 0.00 H new ATOM 307 N SER A 21 20.649 -37.649 17.123 1.00 0.00 N ATOM 308 CA SER A 21 19.949 -36.386 16.754 1.00 0.00 C ATOM 309 C SER A 21 20.603 -35.758 15.522 1.00 0.00 C ATOM 310 O SER A 21 21.615 -36.228 15.037 1.00 0.00 O ATOM 311 CB SER A 21 20.109 -35.473 17.969 1.00 0.00 C ATOM 312 OG SER A 21 19.217 -34.374 17.851 1.00 0.00 O ATOM 0 H SER A 21 21.320 -37.565 17.886 1.00 0.00 H new ATOM 0 HA SER A 21 18.901 -36.554 16.506 1.00 0.00 H new ATOM 0 HB2 SER A 21 19.902 -36.027 18.885 1.00 0.00 H new ATOM 0 HB3 SER A 21 21.137 -35.116 18.037 1.00 0.00 H new ATOM 0 HG SER A 21 19.316 -33.787 18.630 1.00 0.00 H new ATOM 318 N GLU A 22 20.033 -34.700 15.009 1.00 0.00 N ATOM 319 CA GLU A 22 20.620 -34.039 13.807 1.00 0.00 C ATOM 320 C GLU A 22 20.156 -32.581 13.725 1.00 0.00 C ATOM 321 O GLU A 22 19.077 -32.292 13.244 1.00 0.00 O ATOM 322 CB GLU A 22 20.091 -34.839 12.617 1.00 0.00 C ATOM 323 CG GLU A 22 20.913 -34.504 11.372 1.00 0.00 C ATOM 324 CD GLU A 22 22.104 -35.460 11.272 1.00 0.00 C ATOM 325 OE1 GLU A 22 22.962 -35.395 12.137 1.00 0.00 O ATOM 326 OE2 GLU A 22 22.137 -36.239 10.334 1.00 0.00 O ATOM 0 H GLU A 22 19.185 -34.264 15.371 1.00 0.00 H new ATOM 0 HA GLU A 22 21.710 -34.023 13.835 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.150 -35.907 12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.040 -34.605 12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.292 -34.586 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.264 -33.473 11.422 1.00 0.00 H new ATOM 333 N PHE A 23 20.961 -31.666 14.192 1.00 0.00 N ATOM 334 CA PHE A 23 20.567 -30.227 14.141 1.00 0.00 C ATOM 335 C PHE A 23 20.595 -29.721 12.696 1.00 0.00 C ATOM 336 O PHE A 23 20.945 -30.443 11.784 1.00 0.00 O ATOM 337 CB PHE A 23 21.613 -29.497 14.986 1.00 0.00 C ATOM 338 CG PHE A 23 21.276 -29.653 16.449 1.00 0.00 C ATOM 339 CD1 PHE A 23 20.065 -29.166 16.943 1.00 0.00 C ATOM 340 CD2 PHE A 23 22.176 -30.288 17.309 1.00 0.00 C ATOM 341 CE1 PHE A 23 19.748 -29.307 18.299 1.00 0.00 C ATOM 342 CE2 PHE A 23 21.868 -30.436 18.667 1.00 0.00 C ATOM 343 CZ PHE A 23 20.648 -29.947 19.177 1.00 0.00 C ATOM 0 H PHE A 23 21.874 -31.851 14.607 1.00 0.00 H new ATOM 0 HA PHE A 23 19.556 -30.063 14.515 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.605 -29.902 14.785 1.00 0.00 H new ATOM 0 HB3 PHE A 23 21.639 -28.441 14.719 1.00 0.00 H new ATOM 0 HD1 PHE A 23 19.369 -28.678 16.276 1.00 0.00 H new ATOM 0 HD2 PHE A 23 23.112 -30.666 16.925 1.00 0.00 H new ATOM 0 HE1 PHE A 23 18.811 -28.924 18.675 1.00 0.00 H new ATOM 0 HE2 PHE A 23 22.568 -30.927 19.327 1.00 0.00 H new ATOM 0 HZ PHE A 23 20.406 -30.061 20.223 1.00 0.00 H new ATOM 353 N GLY A 24 20.228 -28.485 12.485 1.00 0.00 N ATOM 354 CA GLY A 24 20.233 -27.930 11.101 1.00 0.00 C ATOM 355 C GLY A 24 20.743 -26.488 11.130 1.00 0.00 C ATOM 356 O GLY A 24 20.454 -25.736 12.040 1.00 0.00 O ATOM 0 H GLY A 24 19.925 -27.836 13.211 1.00 0.00 H new ATOM 0 HA2 GLY A 24 20.868 -28.538 10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 24 19.228 -27.963 10.681 1.00 0.00 H new ATOM 360 N ARG A 25 21.500 -26.098 10.139 1.00 0.00 N ATOM 361 CA ARG A 25 22.030 -24.704 10.106 1.00 0.00 C ATOM 362 C ARG A 25 22.067 -24.186 8.666 1.00 0.00 C ATOM 363 O ARG A 25 22.972 -24.485 7.913 1.00 0.00 O ATOM 364 CB ARG A 25 23.444 -24.803 10.677 1.00 0.00 C ATOM 365 CG ARG A 25 23.372 -24.971 12.197 1.00 0.00 C ATOM 366 CD ARG A 25 24.519 -24.198 12.853 1.00 0.00 C ATOM 367 NE ARG A 25 25.755 -24.904 12.416 1.00 0.00 N ATOM 368 CZ ARG A 25 26.774 -24.221 11.973 1.00 0.00 C ATOM 369 NH1 ARG A 25 27.571 -23.618 12.812 1.00 0.00 N ATOM 370 NH2 ARG A 25 26.996 -24.142 10.688 1.00 0.00 N ATOM 0 H ARG A 25 21.774 -26.685 9.351 1.00 0.00 H new ATOM 0 HA ARG A 25 21.409 -24.013 10.676 1.00 0.00 H new ATOM 0 HB2 ARG A 25 23.969 -25.648 10.232 1.00 0.00 H new ATOM 0 HB3 ARG A 25 24.012 -23.907 10.426 1.00 0.00 H new ATOM 0 HG2 ARG A 25 22.414 -24.606 12.569 1.00 0.00 H new ATOM 0 HG3 ARG A 25 23.434 -26.027 12.460 1.00 0.00 H new ATOM 0 HD2 ARG A 25 24.526 -23.156 12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 25 24.426 -24.199 13.939 1.00 0.00 H new ATOM 0 HE ARG A 25 25.805 -25.922 12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 25 27.397 -23.681 13.815 1.00 0.00 H new ATOM 0 HH12 ARG A 25 28.368 -23.084 12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 25 26.373 -24.614 10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 25 27.792 -23.608 10.340 1.00 0.00 H new ATOM 384 N ARG A 26 21.087 -23.412 8.280 1.00 0.00 N ATOM 385 CA ARG A 26 21.063 -22.873 6.888 1.00 0.00 C ATOM 386 C ARG A 26 21.825 -21.547 6.820 1.00 0.00 C ATOM 387 O ARG A 26 21.739 -20.725 7.713 1.00 0.00 O ATOM 388 CB ARG A 26 19.581 -22.660 6.571 1.00 0.00 C ATOM 389 CG ARG A 26 19.266 -23.211 5.177 1.00 0.00 C ATOM 390 CD ARG A 26 17.927 -23.954 5.209 1.00 0.00 C ATOM 391 NE ARG A 26 16.919 -22.945 4.784 1.00 0.00 N ATOM 392 CZ ARG A 26 15.766 -22.881 5.391 1.00 0.00 C ATOM 393 NH1 ARG A 26 15.716 -22.832 6.694 1.00 0.00 N ATOM 394 NH2 ARG A 26 14.661 -22.863 4.694 1.00 0.00 N ATOM 0 H ARG A 26 20.303 -23.130 8.868 1.00 0.00 H new ATOM 0 HA ARG A 26 21.539 -23.547 6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 26 18.964 -23.160 7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 26 19.339 -21.598 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 26 19.224 -22.397 4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 26 20.060 -23.884 4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.935 -24.812 4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.709 -24.334 6.207 1.00 0.00 H new ATOM 0 HE ARG A 26 17.129 -22.304 4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.579 -22.844 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.814 -22.782 7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.700 -22.899 3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.759 -22.813 5.169 1.00 0.00 H new ATOM 408 N VAL A 27 22.568 -21.332 5.767 1.00 0.00 N ATOM 409 CA VAL A 27 23.336 -20.058 5.641 1.00 0.00 C ATOM 410 C VAL A 27 22.981 -19.353 4.330 1.00 0.00 C ATOM 411 O VAL A 27 23.732 -19.383 3.373 1.00 0.00 O ATOM 412 CB VAL A 27 24.810 -20.477 5.647 1.00 0.00 C ATOM 413 CG1 VAL A 27 25.148 -21.129 6.989 1.00 0.00 C ATOM 414 CG2 VAL A 27 25.071 -21.476 4.512 1.00 0.00 C ATOM 0 H VAL A 27 22.677 -21.983 4.989 1.00 0.00 H new ATOM 0 HA VAL A 27 23.110 -19.360 6.447 1.00 0.00 H new ATOM 0 HB VAL A 27 25.435 -19.596 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 27 26.196 -21.428 6.995 1.00 0.00 H new ATOM 0 HG12 VAL A 27 24.969 -20.417 7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 27 24.520 -22.008 7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 27 26.120 -21.771 4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 27 24.445 -22.358 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.833 -21.010 3.556 1.00 0.00 H new ATOM 424 N TRP A 28 21.842 -18.715 4.279 1.00 0.00 N ATOM 425 CA TRP A 28 21.434 -18.006 3.033 1.00 0.00 C ATOM 426 C TRP A 28 20.508 -16.836 3.370 1.00 0.00 C ATOM 427 O TRP A 28 19.346 -16.824 3.011 1.00 0.00 O ATOM 428 CB TRP A 28 20.695 -19.056 2.203 1.00 0.00 C ATOM 429 CG TRP A 28 20.602 -18.595 0.783 1.00 0.00 C ATOM 430 CD1 TRP A 28 21.642 -18.152 0.042 1.00 0.00 C ATOM 431 CD2 TRP A 28 19.427 -18.526 -0.075 1.00 0.00 C ATOM 432 NE1 TRP A 28 21.181 -17.813 -1.218 1.00 0.00 N ATOM 433 CE2 TRP A 28 19.821 -18.025 -1.338 1.00 0.00 C ATOM 434 CE3 TRP A 28 18.070 -18.841 0.118 1.00 0.00 C ATOM 435 CZ2 TRP A 28 18.904 -17.846 -2.375 1.00 0.00 C ATOM 436 CZ3 TRP A 28 17.143 -18.662 -0.924 1.00 0.00 C ATOM 437 CH2 TRP A 28 17.560 -18.166 -2.166 1.00 0.00 C ATOM 0 H TRP A 28 21.176 -18.655 5.049 1.00 0.00 H new ATOM 0 HA TRP A 28 22.286 -17.590 2.496 1.00 0.00 H new ATOM 0 HB2 TRP A 28 21.220 -20.010 2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 28 19.697 -19.220 2.609 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.665 -18.075 0.378 1.00 0.00 H new ATOM 0 HE1 TRP A 28 21.772 -17.451 -1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.738 -19.223 1.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 19.230 -17.463 -3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 16.103 -18.908 -0.766 1.00 0.00 H new ATOM 0 HH2 TRP A 28 16.843 -18.031 -2.962 1.00 0.00 H new ATOM 448 N THR A 29 21.014 -15.846 4.059 1.00 0.00 N ATOM 449 CA THR A 29 20.163 -14.675 4.422 1.00 0.00 C ATOM 450 C THR A 29 20.553 -13.456 3.576 1.00 0.00 C ATOM 451 O THR A 29 20.520 -12.334 4.040 1.00 0.00 O ATOM 452 CB THR A 29 20.447 -14.418 5.905 1.00 0.00 C ATOM 453 OG1 THR A 29 19.687 -13.299 6.342 1.00 0.00 O ATOM 454 CG2 THR A 29 21.937 -14.136 6.113 1.00 0.00 C ATOM 0 H THR A 29 21.979 -15.798 4.386 1.00 0.00 H new ATOM 0 HA THR A 29 19.105 -14.861 4.240 1.00 0.00 H new ATOM 0 HB THR A 29 20.169 -15.300 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.799 -12.560 5.708 1.00 0.00 H new ATOM 0 HG21 THR A 29 22.129 -13.955 7.171 1.00 0.00 H new ATOM 0 HG22 THR A 29 22.520 -14.995 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 29 22.225 -13.257 5.536 1.00 0.00 H new ATOM 462 N SER A 30 20.919 -13.673 2.342 1.00 0.00 N ATOM 463 CA SER A 30 21.310 -12.530 1.465 1.00 0.00 C ATOM 464 C SER A 30 20.280 -12.344 0.349 1.00 0.00 C ATOM 465 O SER A 30 20.620 -12.288 -0.818 1.00 0.00 O ATOM 466 CB SER A 30 22.667 -12.922 0.885 1.00 0.00 C ATOM 467 OG SER A 30 23.133 -11.884 0.034 1.00 0.00 O ATOM 0 H SER A 30 20.965 -14.592 1.902 1.00 0.00 H new ATOM 0 HA SER A 30 21.359 -11.588 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 30 23.382 -13.097 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 30 22.581 -13.854 0.327 1.00 0.00 H new ATOM 0 HG SER A 30 22.539 -11.806 -0.742 1.00 0.00 H new ATOM 473 N ALA A 31 19.024 -12.246 0.696 1.00 0.00 N ATOM 474 CA ALA A 31 17.970 -12.063 -0.344 1.00 0.00 C ATOM 475 C ALA A 31 16.755 -11.347 0.256 1.00 0.00 C ATOM 476 O ALA A 31 16.521 -11.421 1.447 1.00 0.00 O ATOM 477 CB ALA A 31 17.597 -13.479 -0.783 1.00 0.00 C ATOM 0 H ALA A 31 18.682 -12.285 1.656 1.00 0.00 H new ATOM 0 HA ALA A 31 18.315 -11.456 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.824 -13.430 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.478 -13.979 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.223 -14.039 0.074 1.00 0.00 H new ATOM 483 N PRO A 32 16.016 -10.675 -0.591 1.00 0.00 N ATOM 484 CA PRO A 32 14.811 -9.941 -0.129 1.00 0.00 C ATOM 485 C PRO A 32 13.687 -10.923 0.218 1.00 0.00 C ATOM 486 O PRO A 32 13.606 -11.995 -0.351 1.00 0.00 O ATOM 487 CB PRO A 32 14.432 -9.081 -1.332 1.00 0.00 C ATOM 488 CG PRO A 32 15.003 -9.798 -2.515 1.00 0.00 C ATOM 489 CD PRO A 32 16.227 -10.535 -2.038 1.00 0.00 C ATOM 0 HA PRO A 32 14.986 -9.351 0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.350 -8.977 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.843 -8.075 -1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.274 -10.492 -2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.261 -9.093 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.322 -11.506 -2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 32 17.138 -9.979 -2.257 1.00 0.00 H new ATOM 497 N PRO A 33 12.851 -10.527 1.145 1.00 0.00 N ATOM 498 CA PRO A 33 11.722 -11.391 1.567 1.00 0.00 C ATOM 499 C PRO A 33 10.633 -11.417 0.487 1.00 0.00 C ATOM 500 O PRO A 33 10.628 -10.591 -0.404 1.00 0.00 O ATOM 501 CB PRO A 33 11.211 -10.721 2.839 1.00 0.00 C ATOM 502 CG PRO A 33 11.622 -9.289 2.715 1.00 0.00 C ATOM 503 CD PRO A 33 12.875 -9.254 1.880 1.00 0.00 C ATOM 0 HA PRO A 33 12.015 -12.429 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.129 -10.815 2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.644 -11.180 3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.832 -8.701 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.803 -8.855 3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.878 -8.401 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.766 -9.169 2.502 1.00 0.00 H new ATOM 511 N PRO A 34 9.740 -12.367 0.604 1.00 0.00 N ATOM 512 CA PRO A 34 8.633 -12.494 -0.376 1.00 0.00 C ATOM 513 C PRO A 34 7.607 -11.378 -0.170 1.00 0.00 C ATOM 514 O PRO A 34 7.078 -11.199 0.909 1.00 0.00 O ATOM 515 CB PRO A 34 8.027 -13.857 -0.059 1.00 0.00 C ATOM 516 CG PRO A 34 8.375 -14.113 1.372 1.00 0.00 C ATOM 517 CD PRO A 34 9.674 -13.400 1.647 1.00 0.00 C ATOM 0 HA PRO A 34 8.965 -12.413 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.947 -13.853 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.435 -14.631 -0.709 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.588 -13.747 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.476 -15.182 1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.685 -12.961 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.523 -14.081 1.589 1.00 0.00 H new ATOM 525 N GLN A 35 7.323 -10.622 -1.199 1.00 0.00 N ATOM 526 CA GLN A 35 6.332 -9.515 -1.066 1.00 0.00 C ATOM 527 C GLN A 35 4.948 -10.077 -0.729 1.00 0.00 C ATOM 528 O GLN A 35 4.550 -11.112 -1.227 1.00 0.00 O ATOM 529 CB GLN A 35 6.314 -8.830 -2.433 1.00 0.00 C ATOM 530 CG GLN A 35 5.598 -7.482 -2.323 1.00 0.00 C ATOM 531 CD GLN A 35 5.427 -6.878 -3.717 1.00 0.00 C ATOM 532 OE1 GLN A 35 5.303 -7.595 -4.692 1.00 0.00 O ATOM 533 NE2 GLN A 35 5.415 -5.582 -3.857 1.00 0.00 N ATOM 0 H GLN A 35 7.736 -10.724 -2.126 1.00 0.00 H new ATOM 0 HA GLN A 35 6.595 -8.822 -0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.333 -8.684 -2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.808 -9.463 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.625 -7.613 -1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.171 -6.805 -1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.519 -4.980 -3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.302 -5.170 -4.783 1.00 0.00 H new ATOM 542 N ARG A 36 4.214 -9.400 0.114 1.00 0.00 N ATOM 543 CA ARG A 36 2.853 -9.892 0.484 1.00 0.00 C ATOM 544 C ARG A 36 1.858 -8.724 0.495 1.00 0.00 C ATOM 545 O ARG A 36 2.155 -7.668 1.018 1.00 0.00 O ATOM 546 CB ARG A 36 3.015 -10.473 1.890 1.00 0.00 C ATOM 547 CG ARG A 36 1.830 -11.391 2.202 1.00 0.00 C ATOM 548 CD ARG A 36 2.034 -12.743 1.516 1.00 0.00 C ATOM 549 NE ARG A 36 1.349 -13.728 2.397 1.00 0.00 N ATOM 550 CZ ARG A 36 1.904 -14.883 2.639 1.00 0.00 C ATOM 551 NH1 ARG A 36 2.453 -15.561 1.668 1.00 0.00 N ATOM 552 NH2 ARG A 36 1.912 -15.361 3.854 1.00 0.00 N ATOM 0 H ARG A 36 4.497 -8.529 0.562 1.00 0.00 H new ATOM 0 HA ARG A 36 2.470 -10.630 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.949 -11.031 1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.069 -9.669 2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.737 -11.529 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.902 -10.934 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.606 -12.746 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.093 -12.977 1.411 1.00 0.00 H new ATOM 0 HE ARG A 36 0.445 -13.500 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.448 -15.187 0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.887 -16.464 1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.484 -14.831 4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.346 -16.264 4.044 1.00 0.00 H new ATOM 566 N PRO A 37 0.703 -8.947 -0.084 1.00 0.00 N ATOM 567 CA PRO A 37 -0.335 -7.885 -0.132 1.00 0.00 C ATOM 568 C PRO A 37 -0.960 -7.685 1.251 1.00 0.00 C ATOM 569 O PRO A 37 -1.509 -8.602 1.831 1.00 0.00 O ATOM 570 CB PRO A 37 -1.363 -8.431 -1.120 1.00 0.00 C ATOM 571 CG PRO A 37 -1.188 -9.917 -1.078 1.00 0.00 C ATOM 572 CD PRO A 37 0.255 -10.183 -0.739 1.00 0.00 C ATOM 0 HA PRO A 37 0.060 -6.914 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.375 -8.144 -0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.192 -8.041 -2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.847 -10.362 -0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.447 -10.363 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.357 -11.044 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.842 -10.396 -1.633 1.00 0.00 H new ATOM 580 N PHE A 38 -0.882 -6.494 1.780 1.00 0.00 N ATOM 581 CA PHE A 38 -1.474 -6.231 3.125 1.00 0.00 C ATOM 582 C PHE A 38 -2.517 -5.114 3.036 1.00 0.00 C ATOM 583 O PHE A 38 -2.234 -4.026 2.574 1.00 0.00 O ATOM 584 CB PHE A 38 -0.296 -5.793 3.998 1.00 0.00 C ATOM 585 CG PHE A 38 0.514 -7.001 4.403 1.00 0.00 C ATOM 586 CD1 PHE A 38 -0.114 -8.095 5.016 1.00 0.00 C ATOM 587 CD2 PHE A 38 1.895 -7.031 4.168 1.00 0.00 C ATOM 588 CE1 PHE A 38 0.637 -9.213 5.392 1.00 0.00 C ATOM 589 CE2 PHE A 38 2.645 -8.151 4.545 1.00 0.00 C ATOM 590 CZ PHE A 38 2.018 -9.241 5.157 1.00 0.00 C ATOM 0 H PHE A 38 -0.434 -5.691 1.339 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.980 -7.107 3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.332 -5.089 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.661 -5.274 4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.178 -8.074 5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.381 -6.190 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.152 -10.055 5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.709 -8.173 4.363 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.598 -10.104 5.448 1.00 0.00 H new ATOM 600 N ARG A 39 -3.719 -5.374 3.475 1.00 0.00 N ATOM 601 CA ARG A 39 -4.779 -4.326 3.415 1.00 0.00 C ATOM 602 C ARG A 39 -4.630 -3.358 4.593 1.00 0.00 C ATOM 603 O ARG A 39 -4.835 -3.720 5.737 1.00 0.00 O ATOM 604 CB ARG A 39 -6.102 -5.085 3.508 1.00 0.00 C ATOM 605 CG ARG A 39 -7.254 -4.156 3.122 1.00 0.00 C ATOM 606 CD ARG A 39 -8.586 -4.880 3.319 1.00 0.00 C ATOM 607 NE ARG A 39 -8.792 -4.906 4.794 1.00 0.00 N ATOM 608 CZ ARG A 39 -9.414 -5.912 5.347 1.00 0.00 C ATOM 609 NH1 ARG A 39 -10.713 -5.891 5.463 1.00 0.00 N ATOM 610 NH2 ARG A 39 -8.736 -6.937 5.784 1.00 0.00 N ATOM 0 H ARG A 39 -4.013 -6.266 3.872 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.718 -3.732 2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.083 -5.952 2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.247 -5.460 4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.226 -3.253 3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.149 -3.843 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.399 -4.356 2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.553 -5.888 2.907 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.448 -4.139 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.243 -5.089 5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.199 -6.677 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.720 -6.953 5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.222 -7.723 6.216 1.00 0.00 H new ATOM 624 N VAL A 40 -4.273 -2.130 4.318 1.00 0.00 N ATOM 625 CA VAL A 40 -4.106 -1.133 5.415 1.00 0.00 C ATOM 626 C VAL A 40 -5.335 -0.222 5.485 1.00 0.00 C ATOM 627 O VAL A 40 -5.991 0.026 4.492 1.00 0.00 O ATOM 628 CB VAL A 40 -2.859 -0.329 5.036 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.551 0.690 6.134 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.668 -1.277 4.877 1.00 0.00 C ATOM 0 H VAL A 40 -4.090 -1.775 3.379 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.002 -1.604 6.392 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.039 0.193 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.663 1.261 5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.397 1.368 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.373 0.169 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.781 -0.704 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.491 -1.799 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.883 -2.003 4.093 1.00 0.00 H new ATOM 640 N CYS A 41 -5.652 0.278 6.650 1.00 0.00 N ATOM 641 CA CYS A 41 -6.841 1.172 6.782 1.00 0.00 C ATOM 642 C CYS A 41 -6.518 2.353 7.700 1.00 0.00 C ATOM 643 O CYS A 41 -5.492 2.384 8.351 1.00 0.00 O ATOM 644 CB CYS A 41 -7.928 0.293 7.404 1.00 0.00 C ATOM 645 SG CYS A 41 -8.298 -1.093 6.299 1.00 0.00 S ATOM 0 H CYS A 41 -5.140 0.107 7.515 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.151 1.591 5.824 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.597 -0.080 8.373 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.829 0.881 7.580 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.220 -1.839 6.832 1.00 0.00 H new ATOM 651 N ASP A 42 -7.389 3.326 7.757 1.00 0.00 N ATOM 652 CA ASP A 42 -7.140 4.506 8.634 1.00 0.00 C ATOM 653 C ASP A 42 -8.159 4.537 9.777 1.00 0.00 C ATOM 654 O ASP A 42 -9.032 3.695 9.855 1.00 0.00 O ATOM 655 CB ASP A 42 -7.301 5.728 7.732 1.00 0.00 C ATOM 656 CG ASP A 42 -6.391 6.849 8.235 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.377 7.082 9.432 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.726 7.458 7.414 1.00 0.00 O ATOM 0 H ASP A 42 -8.263 3.354 7.233 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.151 4.475 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.047 5.471 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.339 6.059 7.731 1.00 0.00 H new ATOM 663 N HIS A 43 -8.036 5.486 10.672 1.00 0.00 N ATOM 664 CA HIS A 43 -8.978 5.574 11.835 1.00 0.00 C ATOM 665 C HIS A 43 -10.408 5.152 11.450 1.00 0.00 C ATOM 666 O HIS A 43 -10.778 4.007 11.616 1.00 0.00 O ATOM 667 CB HIS A 43 -8.935 7.044 12.260 1.00 0.00 C ATOM 668 CG HIS A 43 -9.805 7.244 13.471 1.00 0.00 C ATOM 669 ND1 HIS A 43 -9.538 6.629 14.683 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.944 7.987 13.670 1.00 0.00 C ATOM 671 CE1 HIS A 43 -10.495 7.008 15.551 1.00 0.00 C ATOM 672 NE2 HIS A 43 -11.378 7.835 14.986 1.00 0.00 N ATOM 0 H HIS A 43 -7.318 6.210 10.648 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.685 4.899 12.639 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.910 7.339 12.483 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.279 7.679 11.444 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.429 8.596 12.921 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.543 6.682 16.580 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.194 8.263 15.423 1.00 0.00 H new ATOM 680 N LYS A 44 -11.223 6.052 10.952 1.00 0.00 N ATOM 681 CA LYS A 44 -12.616 5.651 10.588 1.00 0.00 C ATOM 682 C LYS A 44 -12.716 5.235 9.113 1.00 0.00 C ATOM 683 O LYS A 44 -12.905 4.075 8.802 1.00 0.00 O ATOM 684 CB LYS A 44 -13.463 6.897 10.851 1.00 0.00 C ATOM 685 CG LYS A 44 -14.935 6.583 10.580 1.00 0.00 C ATOM 686 CD LYS A 44 -15.488 5.710 11.709 1.00 0.00 C ATOM 687 CE LYS A 44 -16.994 5.942 11.845 1.00 0.00 C ATOM 688 NZ LYS A 44 -17.308 5.599 13.260 1.00 0.00 N ATOM 0 H LYS A 44 -10.988 7.030 10.785 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.948 4.789 11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.335 7.225 11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.132 7.716 10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.508 7.508 10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.038 6.069 9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.289 4.659 11.501 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.987 5.950 12.647 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.256 6.976 11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.555 5.314 11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.325 5.733 13.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.054 4.607 13.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.765 6.217 13.896 1.00 0.00 H new ATOM 702 N ARG A 45 -12.595 6.170 8.203 1.00 0.00 N ATOM 703 CA ARG A 45 -12.690 5.815 6.754 1.00 0.00 C ATOM 704 C ARG A 45 -11.930 6.822 5.882 1.00 0.00 C ATOM 705 O ARG A 45 -12.155 6.907 4.691 1.00 0.00 O ATOM 706 CB ARG A 45 -14.185 5.860 6.435 1.00 0.00 C ATOM 707 CG ARG A 45 -14.461 5.050 5.166 1.00 0.00 C ATOM 708 CD ARG A 45 -15.880 5.340 4.672 1.00 0.00 C ATOM 709 NE ARG A 45 -16.373 4.042 4.134 1.00 0.00 N ATOM 710 CZ ARG A 45 -17.422 4.014 3.357 1.00 0.00 C ATOM 711 NH1 ARG A 45 -18.596 4.319 3.837 1.00 0.00 N ATOM 712 NH2 ARG A 45 -17.294 3.684 2.102 1.00 0.00 N ATOM 0 H ARG A 45 -12.435 7.158 8.400 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.248 4.840 6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.758 5.455 7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.507 6.892 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.736 5.307 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.346 3.985 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.515 5.698 5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.880 6.112 3.902 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.891 3.175 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.694 4.579 4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.416 4.297 3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.375 3.448 1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.113 3.662 1.494 1.00 0.00 H new ATOM 726 N THR A 46 -11.046 7.596 6.456 1.00 0.00 N ATOM 727 CA THR A 46 -10.297 8.605 5.641 1.00 0.00 C ATOM 728 C THR A 46 -9.638 7.942 4.427 1.00 0.00 C ATOM 729 O THR A 46 -9.976 8.229 3.295 1.00 0.00 O ATOM 730 CB THR A 46 -9.236 9.182 6.582 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.351 8.147 6.979 1.00 0.00 O ATOM 732 CG2 THR A 46 -9.907 9.785 7.817 1.00 0.00 C ATOM 0 H THR A 46 -10.809 7.576 7.448 1.00 0.00 H new ATOM 0 HA THR A 46 -10.958 9.379 5.252 1.00 0.00 H new ATOM 0 HB THR A 46 -8.679 9.963 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.426 8.427 6.816 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.146 10.193 8.482 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.586 10.581 7.510 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.468 9.011 8.340 1.00 0.00 H new ATOM 740 N ILE A 47 -8.701 7.058 4.648 1.00 0.00 N ATOM 741 CA ILE A 47 -8.024 6.384 3.501 1.00 0.00 C ATOM 742 C ILE A 47 -7.906 4.879 3.763 1.00 0.00 C ATOM 743 O ILE A 47 -7.458 4.457 4.811 1.00 0.00 O ATOM 744 CB ILE A 47 -6.640 7.029 3.418 1.00 0.00 C ATOM 745 CG1 ILE A 47 -6.791 8.538 3.200 1.00 0.00 C ATOM 746 CG2 ILE A 47 -5.861 6.426 2.246 1.00 0.00 C ATOM 747 CD1 ILE A 47 -5.416 9.205 3.265 1.00 0.00 C ATOM 0 H ILE A 47 -8.375 6.774 5.572 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.580 6.499 2.570 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.101 6.845 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.255 8.731 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.448 8.962 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.875 6.887 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.751 5.352 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.402 6.609 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.525 10.278 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.969 9.023 4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.773 8.789 2.489 1.00 0.00 H new ATOM 759 N ARG A 48 -8.303 4.070 2.818 1.00 0.00 N ATOM 760 CA ARG A 48 -8.215 2.591 3.012 1.00 0.00 C ATOM 761 C ARG A 48 -7.703 1.917 1.736 1.00 0.00 C ATOM 762 O ARG A 48 -8.441 1.720 0.790 1.00 0.00 O ATOM 763 CB ARG A 48 -9.645 2.146 3.318 1.00 0.00 C ATOM 764 CG ARG A 48 -9.615 0.913 4.223 1.00 0.00 C ATOM 765 CD ARG A 48 -10.984 0.225 4.202 1.00 0.00 C ATOM 766 NE ARG A 48 -11.370 0.087 5.633 1.00 0.00 N ATOM 767 CZ ARG A 48 -12.622 -0.081 5.959 1.00 0.00 C ATOM 768 NH1 ARG A 48 -13.513 0.799 5.596 1.00 0.00 N ATOM 769 NH2 ARG A 48 -12.983 -1.128 6.649 1.00 0.00 N ATOM 0 H ARG A 48 -8.684 4.368 1.920 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.524 2.320 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.192 2.954 3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.172 1.917 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.844 0.221 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.359 1.204 5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.715 0.818 3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.929 -0.748 3.713 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.655 0.124 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.231 1.618 5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.492 0.668 5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.286 -1.816 6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.962 -1.258 6.903 1.00 0.00 H new ATOM 783 N LYS A 49 -6.446 1.561 1.704 1.00 0.00 N ATOM 784 CA LYS A 49 -5.887 0.898 0.489 1.00 0.00 C ATOM 785 C LYS A 49 -4.926 -0.223 0.896 1.00 0.00 C ATOM 786 O LYS A 49 -4.229 -0.128 1.887 1.00 0.00 O ATOM 787 CB LYS A 49 -5.139 2.006 -0.256 1.00 0.00 C ATOM 788 CG LYS A 49 -4.519 1.437 -1.536 1.00 0.00 C ATOM 789 CD LYS A 49 -5.604 1.268 -2.601 1.00 0.00 C ATOM 790 CE LYS A 49 -4.971 0.752 -3.896 1.00 0.00 C ATOM 791 NZ LYS A 49 -6.118 0.310 -4.736 1.00 0.00 N ATOM 0 H LYS A 49 -5.782 1.700 2.466 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.661 0.443 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.823 2.819 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.361 2.426 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.738 2.104 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.047 0.477 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.365 0.570 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.103 2.220 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.396 1.533 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.285 -0.072 -3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.764 -0.057 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.643 -0.439 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.750 1.117 -4.913 1.00 0.00 H new ATOM 805 N GLY A 50 -4.886 -1.285 0.136 1.00 0.00 N ATOM 806 CA GLY A 50 -3.971 -2.414 0.474 1.00 0.00 C ATOM 807 C GLY A 50 -2.772 -2.400 -0.473 1.00 0.00 C ATOM 808 O GLY A 50 -2.913 -2.563 -1.670 1.00 0.00 O ATOM 0 H GLY A 50 -5.448 -1.419 -0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.633 -2.326 1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.501 -3.363 0.392 1.00 0.00 H new ATOM 812 N LEU A 51 -1.591 -2.208 0.051 1.00 0.00 N ATOM 813 CA LEU A 51 -0.380 -2.181 -0.821 1.00 0.00 C ATOM 814 C LEU A 51 0.511 -3.389 -0.522 1.00 0.00 C ATOM 815 O LEU A 51 0.451 -3.968 0.545 1.00 0.00 O ATOM 816 CB LEU A 51 0.352 -0.876 -0.467 1.00 0.00 C ATOM 817 CG LEU A 51 -0.492 0.349 -0.853 1.00 0.00 C ATOM 818 CD1 LEU A 51 -1.096 0.168 -2.250 1.00 0.00 C ATOM 819 CD2 LEU A 51 -1.616 0.543 0.169 1.00 0.00 C ATOM 0 H LEU A 51 -1.412 -2.069 1.045 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.639 -2.224 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.566 -0.853 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.310 -0.840 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 51 0.153 1.228 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.690 1.045 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.295 0.047 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.733 -0.717 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.213 1.412 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.251 -0.343 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.185 0.698 1.158 1.00 0.00 H new ATOM 831 N THR A 52 1.339 -3.772 -1.457 1.00 0.00 N ATOM 832 CA THR A 52 2.239 -4.941 -1.228 1.00 0.00 C ATOM 833 C THR A 52 3.619 -4.461 -0.769 1.00 0.00 C ATOM 834 O THR A 52 4.303 -3.746 -1.473 1.00 0.00 O ATOM 835 CB THR A 52 2.337 -5.637 -2.586 1.00 0.00 C ATOM 836 OG1 THR A 52 2.562 -4.666 -3.600 1.00 0.00 O ATOM 837 CG2 THR A 52 1.034 -6.386 -2.873 1.00 0.00 C ATOM 0 H THR A 52 1.431 -3.326 -2.370 1.00 0.00 H new ATOM 0 HA THR A 52 1.861 -5.610 -0.455 1.00 0.00 H new ATOM 0 HB THR A 52 3.165 -6.346 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.200 -3.996 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.105 -6.882 -3.841 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.864 -7.131 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.204 -5.680 -2.887 1.00 0.00 H new ATOM 845 N ALA A 53 4.030 -4.849 0.409 1.00 0.00 N ATOM 846 CA ALA A 53 5.363 -4.415 0.916 1.00 0.00 C ATOM 847 C ALA A 53 6.069 -5.579 1.617 1.00 0.00 C ATOM 848 O ALA A 53 5.441 -6.411 2.245 1.00 0.00 O ATOM 849 CB ALA A 53 5.063 -3.297 1.914 1.00 0.00 C ATOM 0 H ALA A 53 3.500 -5.448 1.042 1.00 0.00 H new ATOM 0 HA ALA A 53 6.019 -4.081 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.997 -2.923 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.543 -2.485 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.435 -3.684 2.716 1.00 0.00 H new ATOM 855 N ALA A 54 7.369 -5.644 1.516 1.00 0.00 N ATOM 856 CA ALA A 54 8.117 -6.752 2.179 1.00 0.00 C ATOM 857 C ALA A 54 9.417 -6.220 2.792 1.00 0.00 C ATOM 858 O ALA A 54 10.406 -6.043 2.110 1.00 0.00 O ATOM 859 CB ALA A 54 8.420 -7.752 1.063 1.00 0.00 C ATOM 0 H ALA A 54 7.946 -4.978 1.003 1.00 0.00 H new ATOM 0 HA ALA A 54 7.547 -7.207 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.971 -8.599 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.485 -8.104 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.020 -7.267 0.293 1.00 0.00 H new ATOM 865 N THR A 55 9.419 -5.968 4.075 1.00 0.00 N ATOM 866 CA THR A 55 10.656 -5.452 4.734 1.00 0.00 C ATOM 867 C THR A 55 10.619 -5.756 6.234 1.00 0.00 C ATOM 868 O THR A 55 9.599 -6.139 6.773 1.00 0.00 O ATOM 869 CB THR A 55 10.645 -3.940 4.495 1.00 0.00 C ATOM 870 OG1 THR A 55 10.194 -3.669 3.176 1.00 0.00 O ATOM 871 CG2 THR A 55 12.058 -3.391 4.675 1.00 0.00 C ATOM 0 H THR A 55 8.619 -6.097 4.694 1.00 0.00 H new ATOM 0 HA THR A 55 11.557 -5.917 4.333 1.00 0.00 H new ATOM 0 HB THR A 55 9.974 -3.463 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.186 -2.701 3.025 1.00 0.00 H new ATOM 0 HG21 THR A 55 12.054 -2.314 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.402 -3.598 5.688 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.728 -3.869 3.960 1.00 0.00 H new ATOM 879 N ARG A 56 11.726 -5.595 6.907 1.00 0.00 N ATOM 880 CA ARG A 56 11.759 -5.880 8.370 1.00 0.00 C ATOM 881 C ARG A 56 11.423 -4.623 9.184 1.00 0.00 C ATOM 882 O ARG A 56 10.328 -4.479 9.692 1.00 0.00 O ATOM 883 CB ARG A 56 13.192 -6.345 8.647 1.00 0.00 C ATOM 884 CG ARG A 56 13.330 -6.718 10.125 1.00 0.00 C ATOM 885 CD ARG A 56 14.544 -7.630 10.310 1.00 0.00 C ATOM 886 NE ARG A 56 15.676 -6.710 10.607 1.00 0.00 N ATOM 887 CZ ARG A 56 16.871 -6.979 10.154 1.00 0.00 C ATOM 888 NH1 ARG A 56 17.534 -7.997 10.629 1.00 0.00 N ATOM 889 NH2 ARG A 56 17.401 -6.229 9.226 1.00 0.00 N ATOM 0 H ARG A 56 12.609 -5.278 6.507 1.00 0.00 H new ATOM 0 HA ARG A 56 11.022 -6.630 8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.435 -7.203 8.020 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.898 -5.554 8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.443 -5.818 10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.427 -7.222 10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.386 -8.337 11.124 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.737 -8.217 9.412 1.00 0.00 H new ATOM 0 HE ARG A 56 15.518 -5.870 11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.119 -8.582 11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.467 -8.208 10.276 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.882 -5.433 8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.334 -6.439 8.872 1.00 0.00 H new ATOM 903 N GLN A 57 12.360 -3.717 9.327 1.00 0.00 N ATOM 904 CA GLN A 57 12.096 -2.482 10.125 1.00 0.00 C ATOM 905 C GLN A 57 11.548 -1.357 9.238 1.00 0.00 C ATOM 906 O GLN A 57 10.615 -0.670 9.605 1.00 0.00 O ATOM 907 CB GLN A 57 13.457 -2.088 10.702 1.00 0.00 C ATOM 908 CG GLN A 57 13.281 -0.922 11.675 1.00 0.00 C ATOM 909 CD GLN A 57 14.653 -0.393 12.097 1.00 0.00 C ATOM 910 OE1 GLN A 57 15.630 -0.580 11.399 1.00 0.00 O ATOM 911 NE2 GLN A 57 14.768 0.264 13.218 1.00 0.00 N ATOM 0 H GLN A 57 13.295 -3.781 8.925 1.00 0.00 H new ATOM 0 HA GLN A 57 11.349 -2.655 10.900 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.906 -2.938 11.215 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.136 -1.805 9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.703 -0.127 11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.721 -1.248 12.551 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.948 0.421 13.804 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.678 0.621 13.509 1.00 0.00 H new ATOM 920 N GLU A 58 12.130 -1.153 8.086 1.00 0.00 N ATOM 921 CA GLU A 58 11.651 -0.058 7.183 1.00 0.00 C ATOM 922 C GLU A 58 10.137 -0.153 6.965 1.00 0.00 C ATOM 923 O GLU A 58 9.486 0.826 6.656 1.00 0.00 O ATOM 924 CB GLU A 58 12.396 -0.275 5.865 1.00 0.00 C ATOM 925 CG GLU A 58 12.393 1.023 5.056 1.00 0.00 C ATOM 926 CD GLU A 58 12.864 0.738 3.628 1.00 0.00 C ATOM 927 OE1 GLU A 58 14.061 0.779 3.402 1.00 0.00 O ATOM 928 OE2 GLU A 58 12.020 0.479 2.786 1.00 0.00 O ATOM 0 H GLU A 58 12.916 -1.696 7.729 1.00 0.00 H new ATOM 0 HA GLU A 58 11.842 0.928 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.421 -0.590 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.921 -1.073 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.391 1.452 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.047 1.758 5.526 1.00 0.00 H new ATOM 935 N LEU A 59 9.572 -1.320 7.121 1.00 0.00 N ATOM 936 CA LEU A 59 8.098 -1.473 6.922 1.00 0.00 C ATOM 937 C LEU A 59 7.334 -0.506 7.834 1.00 0.00 C ATOM 938 O LEU A 59 6.299 0.019 7.471 1.00 0.00 O ATOM 939 CB LEU A 59 7.794 -2.921 7.304 1.00 0.00 C ATOM 940 CG LEU A 59 6.482 -3.357 6.650 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.538 -4.854 6.329 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.323 -3.084 7.613 1.00 0.00 C ATOM 0 H LEU A 59 10.066 -2.175 7.378 1.00 0.00 H new ATOM 0 HA LEU A 59 7.796 -1.249 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.607 -3.572 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.721 -3.015 8.388 1.00 0.00 H new ATOM 0 HG LEU A 59 6.332 -2.797 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.602 -5.161 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.365 -5.049 5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.688 -5.418 7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.385 -3.393 7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.476 -3.645 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.282 -2.019 7.840 1.00 0.00 H new ATOM 954 N LEU A 60 7.836 -0.269 9.018 1.00 0.00 N ATOM 955 CA LEU A 60 7.139 0.662 9.955 1.00 0.00 C ATOM 956 C LEU A 60 7.031 2.055 9.324 1.00 0.00 C ATOM 957 O LEU A 60 5.979 2.664 9.321 1.00 0.00 O ATOM 958 CB LEU A 60 8.027 0.701 11.206 1.00 0.00 C ATOM 959 CG LEU A 60 7.217 1.182 12.419 1.00 0.00 C ATOM 960 CD1 LEU A 60 6.696 2.598 12.172 1.00 0.00 C ATOM 961 CD2 LEU A 60 6.034 0.239 12.656 1.00 0.00 C ATOM 0 H LEU A 60 8.698 -0.680 9.377 1.00 0.00 H new ATOM 0 HA LEU A 60 6.124 0.339 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.435 -0.291 11.402 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.874 1.366 11.039 1.00 0.00 H new ATOM 0 HG LEU A 60 7.863 1.185 13.297 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.123 2.931 13.037 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.537 3.273 12.013 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.056 2.601 11.290 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.461 0.583 13.517 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.393 0.230 11.774 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.404 -0.769 12.845 1.00 0.00 H new ATOM 973 N ALA A 61 8.112 2.561 8.788 1.00 0.00 N ATOM 974 CA ALA A 61 8.072 3.913 8.156 1.00 0.00 C ATOM 975 C ALA A 61 6.979 3.972 7.083 1.00 0.00 C ATOM 976 O ALA A 61 6.479 5.029 6.751 1.00 0.00 O ATOM 977 CB ALA A 61 9.452 4.096 7.521 1.00 0.00 C ATOM 0 H ALA A 61 9.020 2.096 8.761 1.00 0.00 H new ATOM 0 HA ALA A 61 7.846 4.696 8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.502 5.070 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.219 4.036 8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.619 3.312 6.782 1.00 0.00 H new ATOM 983 N LYS A 62 6.604 2.843 6.541 1.00 0.00 N ATOM 984 CA LYS A 62 5.543 2.832 5.491 1.00 0.00 C ATOM 985 C LYS A 62 4.231 3.380 6.056 1.00 0.00 C ATOM 986 O LYS A 62 3.620 4.263 5.487 1.00 0.00 O ATOM 987 CB LYS A 62 5.387 1.360 5.098 1.00 0.00 C ATOM 988 CG LYS A 62 4.665 1.260 3.751 1.00 0.00 C ATOM 989 CD LYS A 62 3.254 0.707 3.963 1.00 0.00 C ATOM 990 CE LYS A 62 3.310 -0.820 4.065 1.00 0.00 C ATOM 991 NZ LYS A 62 2.445 -1.316 2.957 1.00 0.00 N ATOM 0 H LYS A 62 6.987 1.928 6.780 1.00 0.00 H new ATOM 0 HA LYS A 62 5.803 3.456 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.366 0.885 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.824 0.827 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.614 2.242 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.223 0.611 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.821 1.126 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.609 1.003 3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.332 -1.185 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.946 -1.164 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.435 -2.356 2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.477 -0.959 3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.819 -0.979 2.047 1.00 0.00 H new ATOM 1005 N ALA A 63 3.793 2.861 7.173 1.00 0.00 N ATOM 1006 CA ALA A 63 2.516 3.348 7.779 1.00 0.00 C ATOM 1007 C ALA A 63 2.557 4.868 7.973 1.00 0.00 C ATOM 1008 O ALA A 63 1.540 5.535 7.957 1.00 0.00 O ATOM 1009 CB ALA A 63 2.423 2.644 9.134 1.00 0.00 C ATOM 0 H ALA A 63 4.264 2.120 7.693 1.00 0.00 H new ATOM 0 HA ALA A 63 1.657 3.133 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.509 2.951 9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.409 1.565 8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.285 2.914 9.744 1.00 0.00 H new ATOM 1015 N LEU A 64 3.724 5.417 8.170 1.00 0.00 N ATOM 1016 CA LEU A 64 3.839 6.892 8.376 1.00 0.00 C ATOM 1017 C LEU A 64 3.719 7.652 7.046 1.00 0.00 C ATOM 1018 O LEU A 64 2.695 8.235 6.739 1.00 0.00 O ATOM 1019 CB LEU A 64 5.226 7.103 8.992 1.00 0.00 C ATOM 1020 CG LEU A 64 5.192 6.813 10.499 1.00 0.00 C ATOM 1021 CD1 LEU A 64 4.206 7.761 11.186 1.00 0.00 C ATOM 1022 CD2 LEU A 64 4.759 5.363 10.740 1.00 0.00 C ATOM 0 H LEU A 64 4.607 4.907 8.198 1.00 0.00 H new ATOM 0 HA LEU A 64 3.041 7.270 9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.950 6.449 8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.555 8.128 8.820 1.00 0.00 H new ATOM 0 HG LEU A 64 6.189 6.965 10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.185 7.552 12.255 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.520 8.792 11.024 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.210 7.615 10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.737 5.163 11.811 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.765 5.206 10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.467 4.687 10.260 1.00 0.00 H new ATOM 1034 N GLU A 65 4.773 7.671 6.271 1.00 0.00 N ATOM 1035 CA GLU A 65 4.764 8.416 4.972 1.00 0.00 C ATOM 1036 C GLU A 65 3.565 8.041 4.090 1.00 0.00 C ATOM 1037 O GLU A 65 3.107 8.840 3.298 1.00 0.00 O ATOM 1038 CB GLU A 65 6.068 8.016 4.284 1.00 0.00 C ATOM 1039 CG GLU A 65 6.422 9.053 3.217 1.00 0.00 C ATOM 1040 CD GLU A 65 5.541 8.839 1.984 1.00 0.00 C ATOM 1041 OE1 GLU A 65 5.521 7.728 1.480 1.00 0.00 O ATOM 1042 OE2 GLU A 65 4.902 9.790 1.565 1.00 0.00 O ATOM 0 H GLU A 65 5.651 7.197 6.484 1.00 0.00 H new ATOM 0 HA GLU A 65 4.680 9.490 5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.871 7.945 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.964 7.031 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.277 10.059 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.474 8.966 2.945 1.00 0.00 H new ATOM 1049 N THR A 66 3.061 6.839 4.197 1.00 0.00 N ATOM 1050 CA THR A 66 1.904 6.442 3.333 1.00 0.00 C ATOM 1051 C THR A 66 0.768 7.469 3.435 1.00 0.00 C ATOM 1052 O THR A 66 0.201 7.874 2.440 1.00 0.00 O ATOM 1053 CB THR A 66 1.449 5.073 3.845 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.344 4.625 3.074 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.036 5.179 5.310 1.00 0.00 C ATOM 0 H THR A 66 3.395 6.119 4.838 1.00 0.00 H new ATOM 0 HA THR A 66 2.189 6.399 2.282 1.00 0.00 H new ATOM 0 HB THR A 66 2.272 4.364 3.754 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.052 3.748 3.399 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.713 4.202 5.669 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.884 5.521 5.903 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.215 5.890 5.406 1.00 0.00 H new ATOM 1063 N LEU A 67 0.435 7.900 4.625 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.659 8.905 4.769 1.00 0.00 C ATOM 1065 C LEU A 67 -0.067 10.302 4.979 1.00 0.00 C ATOM 1066 O LEU A 67 -0.412 11.243 4.290 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.444 8.464 6.005 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.194 7.168 5.701 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.352 6.353 6.986 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.579 7.502 5.139 1.00 0.00 C ATOM 0 H LEU A 67 0.871 7.601 5.498 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.292 8.957 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.765 8.315 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.148 9.243 6.298 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.632 6.587 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.887 5.429 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.368 6.115 7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.914 6.933 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.116 6.579 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.139 8.083 5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.470 8.083 4.223 1.00 0.00 H new ATOM 1082 N LEU A 68 0.824 10.440 5.923 1.00 0.00 N ATOM 1083 CA LEU A 68 1.448 11.770 6.179 1.00 0.00 C ATOM 1084 C LEU A 68 2.899 11.595 6.635 1.00 0.00 C ATOM 1085 O LEU A 68 3.260 10.583 7.203 1.00 0.00 O ATOM 1086 CB LEU A 68 0.608 12.397 7.294 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.682 12.969 6.701 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.575 13.492 7.828 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -0.340 14.117 5.747 1.00 0.00 C ATOM 0 H LEU A 68 1.148 9.687 6.530 1.00 0.00 H new ATOM 0 HA LEU A 68 1.468 12.394 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.372 11.649 8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.174 13.186 7.790 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.208 12.186 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.493 13.899 7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.819 12.675 8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.049 14.275 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.258 14.525 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.187 14.899 6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.295 13.745 4.943 1.00 0.00 H new ATOM 1101 N LEU A 69 3.731 12.574 6.399 1.00 0.00 N ATOM 1102 CA LEU A 69 5.155 12.460 6.829 1.00 0.00 C ATOM 1103 C LEU A 69 5.299 12.888 8.294 1.00 0.00 C ATOM 1104 O LEU A 69 5.024 14.017 8.651 1.00 0.00 O ATOM 1105 CB LEU A 69 5.931 13.403 5.903 1.00 0.00 C ATOM 1106 CG LEU A 69 5.451 14.846 6.100 1.00 0.00 C ATOM 1107 CD1 LEU A 69 6.458 15.608 6.960 1.00 0.00 C ATOM 1108 CD2 LEU A 69 5.326 15.531 4.736 1.00 0.00 C ATOM 0 H LEU A 69 3.487 13.445 5.928 1.00 0.00 H new ATOM 0 HA LEU A 69 5.528 11.438 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.998 13.335 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.790 13.103 4.865 1.00 0.00 H new ATOM 0 HG LEU A 69 4.481 14.841 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.115 16.633 7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.549 15.121 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.429 15.614 6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.985 16.557 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.297 15.535 4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.607 14.989 4.121 1.00 0.00 H new ATOM 1120 N ASN A 70 5.723 11.993 9.145 1.00 0.00 N ATOM 1121 CA ASN A 70 5.879 12.347 10.586 1.00 0.00 C ATOM 1122 C ASN A 70 7.150 11.710 11.156 1.00 0.00 C ATOM 1123 O ASN A 70 7.557 10.641 10.747 1.00 0.00 O ATOM 1124 CB ASN A 70 4.639 11.771 11.273 1.00 0.00 C ATOM 1125 CG ASN A 70 4.528 12.339 12.689 1.00 0.00 C ATOM 1126 OD1 ASN A 70 5.363 12.070 13.530 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.527 13.119 12.991 1.00 0.00 N ATOM 0 H ASN A 70 5.968 11.032 8.905 1.00 0.00 H new ATOM 0 HA ASN A 70 5.968 13.423 10.737 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.745 12.018 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.703 10.684 11.310 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.445 13.503 13.933 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.826 13.345 12.286 1.00 0.00 H new ATOM 1134 N GLY A 71 7.777 12.362 12.100 1.00 0.00 N ATOM 1135 CA GLY A 71 9.020 11.799 12.699 1.00 0.00 C ATOM 1136 C GLY A 71 8.650 10.782 13.781 1.00 0.00 C ATOM 1137 O GLY A 71 9.296 9.762 13.932 1.00 0.00 O ATOM 0 H GLY A 71 7.481 13.260 12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.624 11.322 11.928 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.624 12.599 13.128 1.00 0.00 H new ATOM 1141 N VAL A 72 7.618 11.050 14.533 1.00 0.00 N ATOM 1142 CA VAL A 72 7.205 10.095 15.608 1.00 0.00 C ATOM 1143 C VAL A 72 5.679 9.970 15.648 1.00 0.00 C ATOM 1144 O VAL A 72 4.968 10.953 15.711 1.00 0.00 O ATOM 1145 CB VAL A 72 7.727 10.707 16.912 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.455 9.743 18.068 1.00 0.00 C ATOM 1147 CG2 VAL A 72 9.234 10.947 16.798 1.00 0.00 C ATOM 0 H VAL A 72 7.041 11.887 14.452 1.00 0.00 H new ATOM 0 HA VAL A 72 7.602 9.094 15.442 1.00 0.00 H new ATOM 0 HB VAL A 72 7.221 11.655 17.096 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.825 10.176 18.997 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.382 9.568 18.151 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.963 8.797 17.880 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.604 11.382 17.726 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.740 9.999 16.614 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.432 11.630 15.972 1.00 0.00 H new ATOM 1157 N LEU A 73 5.176 8.767 15.611 1.00 0.00 N ATOM 1158 CA LEU A 73 3.697 8.569 15.644 1.00 0.00 C ATOM 1159 C LEU A 73 3.358 7.295 16.427 1.00 0.00 C ATOM 1160 O LEU A 73 4.075 6.316 16.371 1.00 0.00 O ATOM 1161 CB LEU A 73 3.292 8.438 14.172 1.00 0.00 C ATOM 1162 CG LEU A 73 1.789 8.696 13.996 1.00 0.00 C ATOM 1163 CD1 LEU A 73 0.992 7.552 14.626 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.400 10.020 14.662 1.00 0.00 C ATOM 0 H LEU A 73 5.726 7.909 15.559 1.00 0.00 H new ATOM 0 HA LEU A 73 3.170 9.386 16.136 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.860 9.146 13.569 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.539 7.440 13.809 1.00 0.00 H new ATOM 0 HG LEU A 73 1.563 8.753 12.931 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.074 7.739 14.499 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.257 6.613 14.139 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.225 7.488 15.689 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.332 10.193 14.531 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.632 9.974 15.726 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.959 10.836 14.203 1.00 0.00 H new ATOM 1176 N THR A 74 2.279 7.308 17.164 1.00 0.00 N ATOM 1177 CA THR A 74 1.906 6.100 17.960 1.00 0.00 C ATOM 1178 C THR A 74 1.019 5.157 17.141 1.00 0.00 C ATOM 1179 O THR A 74 0.076 5.578 16.496 1.00 0.00 O ATOM 1180 CB THR A 74 1.137 6.642 19.164 1.00 0.00 C ATOM 1181 OG1 THR A 74 0.224 7.641 18.731 1.00 0.00 O ATOM 1182 CG2 THR A 74 2.118 7.246 20.170 1.00 0.00 C ATOM 0 H THR A 74 1.641 8.099 17.250 1.00 0.00 H new ATOM 0 HA THR A 74 2.783 5.523 18.254 1.00 0.00 H new ATOM 0 HB THR A 74 0.588 5.829 19.640 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.166 7.377 17.871 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.568 7.632 21.028 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.817 6.478 20.503 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.670 8.059 19.697 1.00 0.00 H new ATOM 1190 N LEU A 75 1.309 3.882 17.173 1.00 0.00 N ATOM 1191 CA LEU A 75 0.482 2.901 16.412 1.00 0.00 C ATOM 1192 C LEU A 75 -0.513 2.221 17.357 1.00 0.00 C ATOM 1193 O LEU A 75 -0.161 1.812 18.447 1.00 0.00 O ATOM 1194 CB LEU A 75 1.472 1.872 15.865 1.00 0.00 C ATOM 1195 CG LEU A 75 2.460 2.549 14.913 1.00 0.00 C ATOM 1196 CD1 LEU A 75 3.813 2.709 15.610 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.635 1.683 13.662 1.00 0.00 C ATOM 0 H LEU A 75 2.086 3.478 17.696 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.090 3.377 15.615 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.011 1.401 16.687 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.935 1.081 15.342 1.00 0.00 H new ATOM 0 HG LEU A 75 2.077 3.530 14.630 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.517 3.191 14.932 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.692 3.322 16.503 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.195 1.728 15.892 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.339 2.164 12.982 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.018 0.704 13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.673 1.565 13.164 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.748 2.096 16.955 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.756 1.441 17.841 1.00 0.00 C ATOM 1211 C VAL A 76 -3.765 0.649 17.007 1.00 0.00 C ATOM 1212 O VAL A 76 -3.972 0.917 15.842 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.458 2.583 18.583 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.498 3.204 19.601 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -3.906 3.654 17.583 1.00 0.00 C ATOM 0 H VAL A 76 -2.103 2.417 16.055 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.289 0.738 18.531 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.331 2.188 19.103 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.001 4.016 20.127 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.187 2.444 20.318 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.622 3.594 19.084 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.405 4.464 18.116 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.036 4.047 17.057 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.597 3.214 16.864 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.399 -0.325 17.604 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.403 -1.139 16.859 1.00 0.00 C ATOM 1227 C LEU A 77 -6.729 -1.151 17.630 1.00 0.00 C ATOM 1228 O LEU A 77 -6.754 -0.977 18.833 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.804 -2.546 16.782 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.523 -3.071 18.196 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -5.265 -4.393 18.407 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -3.020 -3.299 18.370 1.00 0.00 C ATOM 0 H LEU A 77 -4.264 -0.593 18.579 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.611 -0.741 15.866 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.492 -3.216 16.266 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.882 -2.527 16.202 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.866 -2.339 18.927 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.065 -4.766 19.412 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.336 -4.232 18.286 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.923 -5.123 17.674 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.823 -3.672 19.375 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.676 -4.029 17.638 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.490 -2.358 18.221 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.830 -1.347 16.951 1.00 0.00 N ATOM 1245 CA GLU A 78 -9.148 -1.359 17.656 1.00 0.00 C ATOM 1246 C GLU A 78 -9.687 -2.789 17.791 1.00 0.00 C ATOM 1247 O GLU A 78 -10.599 -3.042 18.555 1.00 0.00 O ATOM 1248 CB GLU A 78 -10.075 -0.515 16.780 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.463 -0.440 17.422 1.00 0.00 C ATOM 1250 CD GLU A 78 -12.320 0.583 16.674 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -11.998 1.759 16.743 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -13.282 0.175 16.045 1.00 0.00 O ATOM 0 H GLU A 78 -7.874 -1.499 15.943 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.068 -0.965 18.669 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.665 0.488 16.660 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.147 -0.952 15.784 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.941 -1.419 17.394 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.375 -0.158 18.471 1.00 0.00 H new ATOM 1259 N GLU A 79 -9.137 -3.726 17.060 1.00 0.00 N ATOM 1260 CA GLU A 79 -9.633 -5.135 17.159 1.00 0.00 C ATOM 1261 C GLU A 79 -9.633 -5.603 18.619 1.00 0.00 C ATOM 1262 O GLU A 79 -10.673 -5.820 19.210 1.00 0.00 O ATOM 1263 CB GLU A 79 -8.651 -5.965 16.329 1.00 0.00 C ATOM 1264 CG GLU A 79 -9.116 -7.423 16.299 1.00 0.00 C ATOM 1265 CD GLU A 79 -7.977 -8.313 15.798 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -7.424 -8.003 14.756 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -7.679 -9.291 16.463 1.00 0.00 O ATOM 0 H GLU A 79 -8.371 -3.579 16.403 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.657 -5.233 16.797 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.591 -5.570 15.315 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.651 -5.900 16.757 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.426 -7.737 17.296 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.984 -7.525 15.648 1.00 0.00 H new ATOM 1274 N ASP A 80 -8.475 -5.760 19.202 1.00 0.00 N ATOM 1275 CA ASP A 80 -8.407 -6.213 20.624 1.00 0.00 C ATOM 1276 C ASP A 80 -8.332 -5.004 21.564 1.00 0.00 C ATOM 1277 O ASP A 80 -8.673 -5.089 22.728 1.00 0.00 O ATOM 1278 CB ASP A 80 -7.129 -7.044 20.715 1.00 0.00 C ATOM 1279 CG ASP A 80 -7.151 -7.875 22.000 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -8.216 -8.354 22.353 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.103 -8.017 22.608 1.00 0.00 O ATOM 0 H ASP A 80 -7.573 -5.595 18.756 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.287 -6.786 20.916 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.046 -7.699 19.847 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.256 -6.391 20.707 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.887 -3.879 21.069 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.791 -2.666 21.931 1.00 0.00 C ATOM 1288 C GLY A 81 -6.438 -2.652 22.647 1.00 0.00 C ATOM 1289 O GLY A 81 -6.366 -2.754 23.855 1.00 0.00 O ATOM 0 H GLY A 81 -7.586 -3.749 20.103 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.903 -1.767 21.325 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.600 -2.661 22.661 1.00 0.00 H new ATOM 1293 N THR A 82 -5.366 -2.522 21.910 1.00 0.00 N ATOM 1294 CA THR A 82 -4.018 -2.499 22.550 1.00 0.00 C ATOM 1295 C THR A 82 -3.123 -1.458 21.869 1.00 0.00 C ATOM 1296 O THR A 82 -3.321 -1.111 20.721 1.00 0.00 O ATOM 1297 CB THR A 82 -3.455 -3.905 22.343 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.318 -4.853 22.956 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.064 -3.998 22.970 1.00 0.00 C ATOM 0 H THR A 82 -5.366 -2.431 20.894 1.00 0.00 H new ATOM 0 HA THR A 82 -4.069 -2.231 23.605 1.00 0.00 H new ATOM 0 HB THR A 82 -3.383 -4.115 21.276 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.960 -5.755 22.823 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.664 -5.001 22.821 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.403 -3.271 22.499 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.131 -3.789 24.038 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.140 -0.958 22.571 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.229 0.059 21.967 1.00 0.00 C ATOM 1309 C ALA A 83 -0.081 -0.635 21.227 1.00 0.00 C ATOM 1310 O ALA A 83 0.172 -1.808 21.418 1.00 0.00 O ATOM 1311 CB ALA A 83 -0.696 0.863 23.153 1.00 0.00 C ATOM 0 H ALA A 83 -1.929 -1.210 23.537 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.737 0.693 21.240 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.016 1.635 22.793 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.528 1.330 23.680 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.163 0.198 23.833 1.00 0.00 H new ATOM 1317 N VAL A 84 0.612 0.083 20.383 1.00 0.00 N ATOM 1318 CA VAL A 84 1.742 -0.538 19.629 1.00 0.00 C ATOM 1319 C VAL A 84 2.868 0.479 19.426 1.00 0.00 C ATOM 1320 O VAL A 84 2.681 1.515 18.817 1.00 0.00 O ATOM 1321 CB VAL A 84 1.139 -0.951 18.284 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.213 -1.617 17.421 1.00 0.00 C ATOM 1323 CG2 VAL A 84 -0.006 -1.939 18.518 1.00 0.00 C ATOM 0 H VAL A 84 0.446 1.069 20.183 1.00 0.00 H new ATOM 0 HA VAL A 84 2.176 -1.386 20.159 1.00 0.00 H new ATOM 0 HB VAL A 84 0.760 -0.066 17.774 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.781 -1.910 16.464 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.030 -0.915 17.251 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.595 -2.501 17.933 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.435 -2.233 17.560 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.375 -2.822 19.031 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.775 -1.467 19.130 1.00 0.00 H new ATOM 1333 N ASP A 85 4.037 0.190 19.931 1.00 0.00 N ATOM 1334 CA ASP A 85 5.182 1.136 19.767 1.00 0.00 C ATOM 1335 C ASP A 85 6.495 0.364 19.578 1.00 0.00 C ATOM 1336 O ASP A 85 7.569 0.924 19.667 1.00 0.00 O ATOM 1337 CB ASP A 85 5.218 1.948 21.064 1.00 0.00 C ATOM 1338 CG ASP A 85 5.370 1.006 22.261 1.00 0.00 C ATOM 1339 OD1 ASP A 85 6.499 0.684 22.596 1.00 0.00 O ATOM 1340 OD2 ASP A 85 4.357 0.623 22.821 1.00 0.00 O ATOM 0 H ASP A 85 4.250 -0.661 20.451 1.00 0.00 H new ATOM 0 HA ASP A 85 5.063 1.773 18.890 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.047 2.655 21.038 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.303 2.533 21.163 1.00 0.00 H new ATOM 1345 N SER A 86 6.416 -0.915 19.321 1.00 0.00 N ATOM 1346 CA SER A 86 7.658 -1.719 19.129 1.00 0.00 C ATOM 1347 C SER A 86 7.425 -2.812 18.082 1.00 0.00 C ATOM 1348 O SER A 86 6.328 -2.993 17.592 1.00 0.00 O ATOM 1349 CB SER A 86 7.944 -2.339 20.495 1.00 0.00 C ATOM 1350 OG SER A 86 9.201 -3.002 20.460 1.00 0.00 O ATOM 0 H SER A 86 5.544 -1.438 19.236 1.00 0.00 H new ATOM 0 HA SER A 86 8.491 -1.112 18.774 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.950 -1.566 21.263 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.156 -3.044 20.758 1.00 0.00 H new ATOM 0 HG SER A 86 9.386 -3.399 21.337 1.00 0.00 H new ATOM 1356 N GLU A 87 8.452 -3.544 17.739 1.00 0.00 N ATOM 1357 CA GLU A 87 8.297 -4.633 16.724 1.00 0.00 C ATOM 1358 C GLU A 87 7.261 -5.662 17.197 1.00 0.00 C ATOM 1359 O GLU A 87 6.765 -6.454 16.420 1.00 0.00 O ATOM 1360 CB GLU A 87 9.681 -5.277 16.618 1.00 0.00 C ATOM 1361 CG GLU A 87 9.730 -6.186 15.386 1.00 0.00 C ATOM 1362 CD GLU A 87 9.665 -7.650 15.827 1.00 0.00 C ATOM 1363 OE1 GLU A 87 8.570 -8.125 16.077 1.00 0.00 O ATOM 1364 OE2 GLU A 87 10.713 -8.272 15.906 1.00 0.00 O ATOM 0 H GLU A 87 9.393 -3.436 18.117 1.00 0.00 H new ATOM 0 HA GLU A 87 7.948 -4.252 15.764 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.448 -4.506 16.544 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.895 -5.854 17.518 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.897 -5.959 14.720 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.646 -6.005 14.824 1.00 0.00 H new ATOM 1371 N ASP A 88 6.934 -5.657 18.464 1.00 0.00 N ATOM 1372 CA ASP A 88 5.931 -6.633 18.987 1.00 0.00 C ATOM 1373 C ASP A 88 4.560 -6.419 18.329 1.00 0.00 C ATOM 1374 O ASP A 88 3.657 -7.213 18.502 1.00 0.00 O ATOM 1375 CB ASP A 88 5.850 -6.352 20.487 1.00 0.00 C ATOM 1376 CG ASP A 88 5.362 -7.605 21.218 1.00 0.00 C ATOM 1377 OD1 ASP A 88 4.158 -7.784 21.304 1.00 0.00 O ATOM 1378 OD2 ASP A 88 6.200 -8.361 21.679 1.00 0.00 O ATOM 0 H ASP A 88 7.319 -5.018 19.160 1.00 0.00 H new ATOM 0 HA ASP A 88 6.220 -7.662 18.773 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.828 -6.056 20.865 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.171 -5.521 20.675 1.00 0.00 H new ATOM 1383 N PHE A 89 4.392 -5.349 17.586 1.00 0.00 N ATOM 1384 CA PHE A 89 3.077 -5.074 16.922 1.00 0.00 C ATOM 1385 C PHE A 89 2.453 -6.364 16.361 1.00 0.00 C ATOM 1386 O PHE A 89 1.596 -6.963 16.979 1.00 0.00 O ATOM 1387 CB PHE A 89 3.409 -4.092 15.790 1.00 0.00 C ATOM 1388 CG PHE A 89 2.179 -3.838 14.944 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.942 -3.613 15.552 1.00 0.00 C ATOM 1390 CD2 PHE A 89 2.282 -3.826 13.552 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.197 -3.378 14.771 1.00 0.00 C ATOM 1392 CE2 PHE A 89 1.151 -3.591 12.761 1.00 0.00 C ATOM 1393 CZ PHE A 89 -0.104 -3.364 13.364 1.00 0.00 C ATOM 0 H PHE A 89 5.114 -4.651 17.410 1.00 0.00 H new ATOM 0 HA PHE A 89 2.346 -4.668 17.622 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.773 -3.153 16.208 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.209 -4.497 15.170 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.863 -3.620 16.629 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.239 -3.999 13.083 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.150 -3.207 15.249 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.240 -3.583 11.685 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.979 -3.182 12.758 1.00 0.00 H new ATOM 1403 N PHE A 90 2.869 -6.793 15.198 1.00 0.00 N ATOM 1404 CA PHE A 90 2.289 -8.037 14.603 1.00 0.00 C ATOM 1405 C PHE A 90 2.450 -9.221 15.562 1.00 0.00 C ATOM 1406 O PHE A 90 1.605 -10.096 15.628 1.00 0.00 O ATOM 1407 CB PHE A 90 3.090 -8.275 13.323 1.00 0.00 C ATOM 1408 CG PHE A 90 2.618 -7.325 12.247 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.309 -7.405 11.770 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.493 -6.367 11.729 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.867 -6.527 10.772 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.062 -5.485 10.731 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.742 -5.556 10.241 1.00 0.00 C ATOM 0 H PHE A 90 3.585 -6.337 14.633 1.00 0.00 H new ATOM 0 HA PHE A 90 1.222 -7.935 14.407 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.153 -8.126 13.514 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.967 -9.306 12.991 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.634 -8.146 12.172 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.506 -6.307 12.100 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.147 -6.594 10.408 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.744 -4.747 10.335 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.406 -4.877 9.471 1.00 0.00 H new ATOM 1423 N GLN A 91 3.525 -9.263 16.303 1.00 0.00 N ATOM 1424 CA GLN A 91 3.739 -10.395 17.253 1.00 0.00 C ATOM 1425 C GLN A 91 2.746 -10.318 18.421 1.00 0.00 C ATOM 1426 O GLN A 91 2.619 -11.246 19.196 1.00 0.00 O ATOM 1427 CB GLN A 91 5.170 -10.225 17.761 1.00 0.00 C ATOM 1428 CG GLN A 91 5.576 -11.456 18.572 1.00 0.00 C ATOM 1429 CD GLN A 91 5.691 -12.664 17.643 1.00 0.00 C ATOM 1430 OE1 GLN A 91 5.018 -13.658 17.830 1.00 0.00 O ATOM 1431 NE2 GLN A 91 6.525 -12.623 16.639 1.00 0.00 N ATOM 0 H GLN A 91 4.266 -8.562 16.292 1.00 0.00 H new ATOM 0 HA GLN A 91 3.585 -11.361 16.773 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.851 -10.090 16.921 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.244 -9.330 18.378 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.528 -11.277 19.073 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.838 -11.651 19.350 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.091 -11.790 16.480 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.610 -13.424 16.014 1.00 0.00 H new ATOM 1440 N LEU A 92 2.051 -9.221 18.559 1.00 0.00 N ATOM 1441 CA LEU A 92 1.077 -9.089 19.681 1.00 0.00 C ATOM 1442 C LEU A 92 -0.309 -9.585 19.255 1.00 0.00 C ATOM 1443 O LEU A 92 -1.130 -9.934 20.081 1.00 0.00 O ATOM 1444 CB LEU A 92 1.042 -7.590 19.996 1.00 0.00 C ATOM 1445 CG LEU A 92 0.087 -7.331 21.164 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.797 -7.634 22.484 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -0.349 -5.862 21.146 1.00 0.00 C ATOM 0 H LEU A 92 2.116 -8.410 17.943 1.00 0.00 H new ATOM 0 HA LEU A 92 1.365 -9.684 20.548 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.043 -7.238 20.247 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.718 -7.031 19.118 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.788 -7.974 21.068 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.116 -7.449 23.314 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.110 -8.678 22.497 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.672 -6.991 22.582 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.029 -5.674 21.977 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.527 -5.221 21.243 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.856 -5.644 20.206 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.581 -9.620 17.975 1.00 0.00 N ATOM 1460 CA LEU A 93 -1.922 -10.092 17.512 1.00 0.00 C ATOM 1461 C LEU A 93 -1.765 -11.244 16.515 1.00 0.00 C ATOM 1462 O LEU A 93 -0.709 -11.448 15.949 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.568 -8.884 16.823 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.352 -7.618 17.658 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.148 -6.850 17.112 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.596 -6.732 17.573 1.00 0.00 C ATOM 0 H LEU A 93 0.063 -9.344 17.234 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.528 -10.460 18.340 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.139 -8.751 15.830 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.635 -9.061 16.688 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.171 -7.895 18.697 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.992 -5.949 17.705 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.260 -7.479 17.168 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.333 -6.574 16.074 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.442 -5.831 18.167 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.775 -6.455 16.534 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.458 -7.277 17.957 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.816 -11.988 16.284 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.734 -13.117 15.311 1.00 0.00 C ATOM 1480 C GLU A 94 -2.474 -12.561 13.911 1.00 0.00 C ATOM 1481 O GLU A 94 -2.442 -11.363 13.713 1.00 0.00 O ATOM 1482 CB GLU A 94 -4.100 -13.804 15.376 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.986 -15.110 16.173 1.00 0.00 C ATOM 1484 CD GLU A 94 -4.811 -15.006 17.456 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -4.467 -14.187 18.294 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -5.775 -15.744 17.580 1.00 0.00 O ATOM 0 H GLU A 94 -3.726 -11.862 16.727 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.927 -13.813 15.541 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.828 -13.143 15.846 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.461 -14.012 14.369 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.338 -15.947 15.570 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.942 -15.309 16.416 1.00 0.00 H new ATOM 1493 N ASP A 95 -2.281 -13.410 12.937 1.00 0.00 N ATOM 1494 CA ASP A 95 -2.016 -12.896 11.561 1.00 0.00 C ATOM 1495 C ASP A 95 -3.233 -12.118 11.047 1.00 0.00 C ATOM 1496 O ASP A 95 -4.327 -12.639 10.956 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.776 -14.141 10.709 1.00 0.00 C ATOM 1498 CG ASP A 95 -1.476 -13.725 9.267 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.498 -13.026 9.064 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -2.232 -14.111 8.391 1.00 0.00 O ATOM 0 H ASP A 95 -2.295 -14.425 13.032 1.00 0.00 H new ATOM 0 HA ASP A 95 -1.165 -12.215 11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.943 -14.716 11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.653 -14.788 10.737 1.00 0.00 H new ATOM 1505 N ASP A 96 -3.034 -10.877 10.700 1.00 0.00 N ATOM 1506 CA ASP A 96 -4.158 -10.045 10.179 1.00 0.00 C ATOM 1507 C ASP A 96 -3.604 -8.753 9.576 1.00 0.00 C ATOM 1508 O ASP A 96 -2.422 -8.479 9.667 1.00 0.00 O ATOM 1509 CB ASP A 96 -5.039 -9.744 11.396 1.00 0.00 C ATOM 1510 CG ASP A 96 -4.215 -9.029 12.471 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.688 -7.967 12.179 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -4.126 -9.554 13.566 1.00 0.00 O ATOM 0 H ASP A 96 -2.135 -10.399 10.755 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.723 -10.551 9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.884 -9.122 11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.450 -10.671 11.797 1.00 0.00 H new ATOM 1517 N THR A 97 -4.439 -7.944 8.980 1.00 0.00 N ATOM 1518 CA THR A 97 -3.934 -6.668 8.404 1.00 0.00 C ATOM 1519 C THR A 97 -4.733 -5.489 8.966 1.00 0.00 C ATOM 1520 O THR A 97 -5.836 -5.210 8.541 1.00 0.00 O ATOM 1521 CB THR A 97 -4.146 -6.786 6.891 1.00 0.00 C ATOM 1522 OG1 THR A 97 -4.287 -8.155 6.531 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.943 -6.189 6.157 1.00 0.00 C ATOM 0 H THR A 97 -5.439 -8.111 8.869 1.00 0.00 H new ATOM 0 HA THR A 97 -2.886 -6.496 8.649 1.00 0.00 H new ATOM 0 HB THR A 97 -5.049 -6.244 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.424 -8.226 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.095 -6.273 5.081 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.837 -5.138 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.040 -6.729 6.439 1.00 0.00 H new ATOM 1531 N CYS A 98 -4.168 -4.789 9.912 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.866 -3.614 10.505 1.00 0.00 C ATOM 1533 C CYS A 98 -3.847 -2.509 10.784 1.00 0.00 C ATOM 1534 O CYS A 98 -2.789 -2.760 11.327 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.475 -4.128 11.812 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.808 -3.020 12.332 1.00 0.00 S ATOM 0 H CYS A 98 -3.246 -4.983 10.302 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.628 -3.199 9.845 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.860 -5.138 11.674 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.709 -4.182 12.586 1.00 0.00 H new ATOM 0 HG CYS A 98 -7.328 -3.457 13.441 1.00 0.00 H new ATOM 1542 N LEU A 99 -4.145 -1.295 10.414 1.00 0.00 N ATOM 1543 CA LEU A 99 -3.169 -0.196 10.666 1.00 0.00 C ATOM 1544 C LEU A 99 -3.882 1.091 11.079 1.00 0.00 C ATOM 1545 O LEU A 99 -4.920 1.441 10.550 1.00 0.00 O ATOM 1546 CB LEU A 99 -2.443 -0.004 9.334 1.00 0.00 C ATOM 1547 CG LEU A 99 -1.204 0.870 9.546 1.00 0.00 C ATOM 1548 CD1 LEU A 99 -0.020 0.268 8.789 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -1.480 2.282 9.021 1.00 0.00 C ATOM 0 H LEU A 99 -5.011 -1.017 9.953 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.486 -0.440 11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.152 -0.971 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.110 0.462 8.609 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.970 0.916 10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.862 0.890 8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.177 -0.737 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.254 0.222 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.598 2.905 9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.714 2.235 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.324 2.712 9.560 1.00 0.00 H new ATOM 1561 N MET A 100 -3.313 1.805 12.008 1.00 0.00 N ATOM 1562 CA MET A 100 -3.926 3.088 12.456 1.00 0.00 C ATOM 1563 C MET A 100 -2.813 4.074 12.804 1.00 0.00 C ATOM 1564 O MET A 100 -1.857 3.730 13.474 1.00 0.00 O ATOM 1565 CB MET A 100 -4.743 2.732 13.698 1.00 0.00 C ATOM 1566 CG MET A 100 -5.798 3.817 13.946 1.00 0.00 C ATOM 1567 SD MET A 100 -7.415 3.047 14.217 1.00 0.00 S ATOM 1568 CE MET A 100 -7.023 2.244 15.791 1.00 0.00 C ATOM 0 H MET A 100 -2.444 1.555 12.480 1.00 0.00 H new ATOM 0 HA MET A 100 -4.551 3.550 11.692 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.226 1.764 13.563 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.087 2.643 14.564 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.520 4.416 14.813 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.845 4.494 13.093 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.928 1.805 16.211 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.283 1.461 15.626 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.622 2.982 16.486 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.916 5.293 12.356 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.849 6.288 12.664 1.00 0.00 C ATOM 1580 C VAL A 101 -2.471 7.590 13.171 1.00 0.00 C ATOM 1581 O VAL A 101 -3.144 8.294 12.441 1.00 0.00 O ATOM 1582 CB VAL A 101 -1.128 6.510 11.332 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.002 7.523 11.520 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.541 5.184 10.842 1.00 0.00 C ATOM 0 H VAL A 101 -3.690 5.644 11.792 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.168 5.944 13.443 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.838 6.890 10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.513 7.679 10.570 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.412 8.469 11.869 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.711 7.144 12.256 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.028 5.342 9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.167 4.805 11.579 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.344 4.460 10.704 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.248 7.914 14.414 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.820 9.174 14.972 1.00 0.00 C ATOM 1596 C LEU A 102 -1.869 9.772 16.013 1.00 0.00 C ATOM 1597 O LEU A 102 -0.906 9.153 16.419 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.154 8.775 15.614 1.00 0.00 C ATOM 1599 CG LEU A 102 -3.961 7.559 16.528 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.014 7.589 17.636 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.120 6.273 15.710 1.00 0.00 C ATOM 0 H LEU A 102 -1.694 7.362 15.069 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.963 9.933 14.203 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.553 9.611 16.189 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.884 8.544 14.838 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.964 7.588 16.968 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.880 6.726 18.288 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.904 8.504 18.218 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.009 7.558 17.193 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.983 5.409 16.360 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.117 6.242 15.271 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.373 6.252 14.916 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.135 10.975 16.447 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.248 11.618 17.459 1.00 0.00 C ATOM 1615 C GLN A 103 -1.575 11.087 18.858 1.00 0.00 C ATOM 1616 O GLN A 103 -2.501 10.321 19.040 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.558 13.113 17.362 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.402 13.916 17.961 1.00 0.00 C ATOM 1619 CD GLN A 103 -0.451 15.354 17.435 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -1.433 16.045 17.616 1.00 0.00 O ATOM 1621 NE2 GLN A 103 0.576 15.833 16.788 1.00 0.00 N ATOM 0 H GLN A 103 -2.928 11.540 16.144 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.193 11.410 17.280 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.710 13.396 16.321 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.484 13.338 17.892 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.469 13.913 19.049 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.550 13.454 17.699 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.400 15.251 16.637 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.555 16.789 16.433 1.00 0.00 H new ATOM 1630 N SER A 104 -0.817 11.488 19.847 1.00 0.00 N ATOM 1631 CA SER A 104 -1.076 11.006 21.241 1.00 0.00 C ATOM 1632 C SER A 104 -2.551 11.184 21.608 1.00 0.00 C ATOM 1633 O SER A 104 -3.280 11.912 20.960 1.00 0.00 O ATOM 1634 CB SER A 104 -0.194 11.882 22.131 1.00 0.00 C ATOM 1635 OG SER A 104 -0.361 13.244 21.761 1.00 0.00 O ATOM 0 H SER A 104 -0.029 12.129 19.751 1.00 0.00 H new ATOM 0 HA SER A 104 -0.852 9.945 21.355 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.461 11.742 23.178 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.851 11.590 22.027 1.00 0.00 H new ATOM 0 HG SER A 104 0.202 13.809 22.331 1.00 0.00 H new ATOM 1641 N GLY A 105 -2.999 10.522 22.641 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.428 10.648 23.051 1.00 0.00 C ATOM 1643 C GLY A 105 -5.258 9.581 22.336 1.00 0.00 C ATOM 1644 O GLY A 105 -5.991 9.868 21.409 1.00 0.00 O ATOM 0 H GLY A 105 -2.436 9.898 23.220 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.519 10.532 24.131 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.802 11.641 22.804 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.147 8.349 22.759 1.00 0.00 N ATOM 1649 CA GLN A 106 -5.928 7.257 22.106 1.00 0.00 C ATOM 1650 C GLN A 106 -7.215 6.989 22.893 1.00 0.00 C ATOM 1651 O GLN A 106 -7.256 7.145 24.098 1.00 0.00 O ATOM 1652 CB GLN A 106 -5.005 6.039 22.152 1.00 0.00 C ATOM 1653 CG GLN A 106 -5.449 5.021 21.098 1.00 0.00 C ATOM 1654 CD GLN A 106 -4.891 3.635 21.444 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -5.476 2.631 21.088 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -3.778 3.533 22.121 1.00 0.00 N ATOM 0 H GLN A 106 -4.548 8.052 23.529 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.226 7.506 21.088 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.975 6.343 21.968 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.031 5.587 23.143 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.537 4.983 21.052 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.099 5.328 20.113 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.285 4.374 22.421 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.402 2.613 22.349 1.00 0.00 H new ATOM 1665 N SER A 107 -8.266 6.591 22.224 1.00 0.00 N ATOM 1666 CA SER A 107 -9.546 6.320 22.945 1.00 0.00 C ATOM 1667 C SER A 107 -10.237 5.077 22.372 1.00 0.00 C ATOM 1668 O SER A 107 -10.564 5.020 21.203 1.00 0.00 O ATOM 1669 CB SER A 107 -10.412 7.562 22.712 1.00 0.00 C ATOM 1670 OG SER A 107 -9.877 8.329 21.641 1.00 0.00 O ATOM 0 H SER A 107 -8.294 6.442 21.215 1.00 0.00 H new ATOM 0 HA SER A 107 -9.379 6.129 24.005 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.435 7.265 22.483 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.451 8.165 23.619 1.00 0.00 H new ATOM 0 HG SER A 107 -10.435 9.121 21.495 1.00 0.00 H new ATOM 1676 N TRP A 108 -10.474 4.091 23.194 1.00 0.00 N ATOM 1677 CA TRP A 108 -11.157 2.852 22.713 1.00 0.00 C ATOM 1678 C TRP A 108 -12.638 2.888 23.098 1.00 0.00 C ATOM 1679 O TRP A 108 -13.059 3.696 23.904 1.00 0.00 O ATOM 1680 CB TRP A 108 -10.450 1.693 23.419 1.00 0.00 C ATOM 1681 CG TRP A 108 -9.182 1.348 22.699 1.00 0.00 C ATOM 1682 CD1 TRP A 108 -9.009 1.389 21.356 1.00 0.00 C ATOM 1683 CD2 TRP A 108 -7.914 0.898 23.260 1.00 0.00 C ATOM 1684 NE1 TRP A 108 -7.717 0.998 21.059 1.00 0.00 N ATOM 1685 CE2 TRP A 108 -7.003 0.685 22.199 1.00 0.00 C ATOM 1686 CE3 TRP A 108 -7.471 0.659 24.573 1.00 0.00 C ATOM 1687 CZ2 TRP A 108 -5.698 0.249 22.432 1.00 0.00 C ATOM 1688 CZ3 TRP A 108 -6.158 0.221 24.811 1.00 0.00 C ATOM 1689 CH2 TRP A 108 -5.275 0.016 23.742 1.00 0.00 C ATOM 0 H TRP A 108 -10.223 4.089 24.183 1.00 0.00 H new ATOM 0 HA TRP A 108 -11.106 2.752 21.629 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -10.229 1.966 24.451 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.106 0.823 23.453 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -9.759 1.680 20.635 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -7.337 0.947 20.114 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -8.144 0.813 25.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.021 0.093 21.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -5.827 0.041 25.823 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.267 -0.322 23.932 1.00 0.00 H new ATOM 1700 N SER A 109 -13.429 2.020 22.530 1.00 0.00 N ATOM 1701 CA SER A 109 -14.885 2.006 22.864 1.00 0.00 C ATOM 1702 C SER A 109 -15.102 1.307 24.213 1.00 0.00 C ATOM 1703 O SER A 109 -14.184 0.724 24.757 1.00 0.00 O ATOM 1704 CB SER A 109 -15.544 1.212 21.734 1.00 0.00 C ATOM 1705 OG SER A 109 -14.809 1.399 20.530 1.00 0.00 O ATOM 0 H SER A 109 -13.133 1.320 21.850 1.00 0.00 H new ATOM 0 HA SER A 109 -15.303 3.009 22.950 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.578 0.153 21.991 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.575 1.540 21.598 1.00 0.00 H new ATOM 0 HG SER A 109 -15.230 0.889 19.807 1.00 0.00 H new ATOM 1711 N PRO A 110 -16.307 1.395 24.719 1.00 0.00 N ATOM 1712 CA PRO A 110 -16.626 0.768 26.027 1.00 0.00 C ATOM 1713 C PRO A 110 -16.634 -0.759 25.912 1.00 0.00 C ATOM 1714 O PRO A 110 -17.205 -1.322 24.998 1.00 0.00 O ATOM 1715 CB PRO A 110 -18.020 1.304 26.349 1.00 0.00 C ATOM 1716 CG PRO A 110 -18.613 1.657 25.024 1.00 0.00 C ATOM 1717 CD PRO A 110 -17.472 2.073 24.134 1.00 0.00 C ATOM 0 HA PRO A 110 -15.895 1.001 26.802 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -18.622 0.555 26.864 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -17.967 2.175 27.002 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -19.144 0.805 24.599 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -19.337 2.465 25.127 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -17.637 1.765 23.101 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -17.344 3.155 24.128 1.00 0.00 H new ATOM 1725 N THR A 111 -16.002 -1.430 26.839 1.00 0.00 N ATOM 1726 CA THR A 111 -15.963 -2.920 26.801 1.00 0.00 C ATOM 1727 C THR A 111 -16.464 -3.491 28.132 1.00 0.00 C ATOM 1728 O THR A 111 -16.660 -2.768 29.088 1.00 0.00 O ATOM 1729 CB THR A 111 -14.488 -3.267 26.586 1.00 0.00 C ATOM 1730 OG1 THR A 111 -14.011 -2.601 25.426 1.00 0.00 O ATOM 1731 CG2 THR A 111 -14.335 -4.779 26.407 1.00 0.00 C ATOM 0 H THR A 111 -15.509 -1.006 27.625 1.00 0.00 H new ATOM 0 HA THR A 111 -16.597 -3.336 26.018 1.00 0.00 H new ATOM 0 HB THR A 111 -13.911 -2.947 27.454 1.00 0.00 H new ATOM 0 HG1 THR A 111 -13.066 -2.821 25.288 1.00 0.00 H new ATOM 0 HG21 THR A 111 -13.284 -5.023 26.254 1.00 0.00 H new ATOM 0 HG22 THR A 111 -14.700 -5.290 27.298 1.00 0.00 H new ATOM 0 HG23 THR A 111 -14.912 -5.103 25.541 1.00 0.00 H new ATOM 1739 N ARG A 112 -16.674 -4.780 28.200 1.00 0.00 N ATOM 1740 CA ARG A 112 -17.164 -5.393 29.472 1.00 0.00 C ATOM 1741 C ARG A 112 -16.217 -5.055 30.628 1.00 0.00 C ATOM 1742 O ARG A 112 -15.033 -5.318 30.570 1.00 0.00 O ATOM 1743 CB ARG A 112 -17.179 -6.903 29.214 1.00 0.00 C ATOM 1744 CG ARG A 112 -15.778 -7.375 28.803 1.00 0.00 C ATOM 1745 CD ARG A 112 -15.874 -8.207 27.521 1.00 0.00 C ATOM 1746 NE ARG A 112 -16.110 -9.602 27.985 1.00 0.00 N ATOM 1747 CZ ARG A 112 -16.797 -10.430 27.244 1.00 0.00 C ATOM 1748 NH1 ARG A 112 -18.096 -10.330 27.188 1.00 0.00 N ATOM 1749 NH2 ARG A 112 -16.184 -11.356 26.560 1.00 0.00 N ATOM 0 H ARG A 112 -16.528 -5.434 27.431 1.00 0.00 H new ATOM 0 HA ARG A 112 -18.149 -5.019 29.751 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -17.502 -7.431 30.111 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -17.897 -7.140 28.429 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -15.126 -6.516 28.644 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -15.334 -7.969 29.602 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -16.688 -7.859 26.885 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.958 -8.136 26.934 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.735 -9.911 28.882 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -18.575 -9.605 27.723 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -18.633 -10.976 26.610 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.168 -11.434 26.604 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.721 -12.002 25.982 1.00 0.00 H new ATOM 1763 N SER A 113 -16.734 -4.471 31.677 1.00 0.00 N ATOM 1764 CA SER A 113 -15.869 -4.114 32.838 1.00 0.00 C ATOM 1765 C SER A 113 -16.700 -4.083 34.124 1.00 0.00 C ATOM 1766 O SER A 113 -16.391 -3.363 35.055 1.00 0.00 O ATOM 1767 CB SER A 113 -15.325 -2.723 32.514 1.00 0.00 C ATOM 1768 OG SER A 113 -13.918 -2.710 32.716 1.00 0.00 O ATOM 0 H SER A 113 -17.719 -4.226 31.779 1.00 0.00 H new ATOM 0 HA SER A 113 -15.068 -4.836 32.996 1.00 0.00 H new ATOM 0 HB2 SER A 113 -15.558 -2.460 31.482 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.802 -1.976 33.149 1.00 0.00 H new ATOM 0 HG SER A 113 -13.566 -1.820 32.507 1.00 0.00 H new ATOM 1774 N GLY A 114 -17.750 -4.857 34.182 1.00 0.00 N ATOM 1775 CA GLY A 114 -18.601 -4.874 35.403 1.00 0.00 C ATOM 1776 C GLY A 114 -17.793 -5.425 36.580 1.00 0.00 C ATOM 1777 O GLY A 114 -17.517 -4.728 37.537 1.00 0.00 O ATOM 0 H GLY A 114 -18.055 -5.479 33.434 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -18.952 -3.867 35.629 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -19.485 -5.489 35.235 1.00 0.00 H new ATOM 1781 N VAL A 115 -17.411 -6.672 36.515 1.00 0.00 N ATOM 1782 CA VAL A 115 -16.619 -7.272 37.629 1.00 0.00 C ATOM 1783 C VAL A 115 -15.411 -8.028 37.066 1.00 0.00 C ATOM 1784 O VAL A 115 -15.184 -9.179 37.385 1.00 0.00 O ATOM 1785 CB VAL A 115 -17.578 -8.235 38.331 1.00 0.00 C ATOM 1786 CG1 VAL A 115 -16.879 -8.868 39.538 1.00 0.00 C ATOM 1787 CG2 VAL A 115 -18.816 -7.469 38.805 1.00 0.00 C ATOM 0 H VAL A 115 -17.613 -7.302 35.739 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.233 -6.517 38.314 1.00 0.00 H new ATOM 0 HB VAL A 115 -17.878 -9.017 37.634 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -17.564 -9.554 40.037 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -15.998 -9.415 39.203 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -16.577 -8.086 40.235 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -19.499 -8.155 39.305 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -18.515 -6.686 39.501 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -19.316 -7.020 37.947 1.00 0.00 H new ATOM 1797 N LEU A 116 -14.638 -7.388 36.228 1.00 0.00 N ATOM 1798 CA LEU A 116 -13.446 -8.067 35.642 1.00 0.00 C ATOM 1799 C LEU A 116 -12.194 -7.208 35.852 1.00 0.00 C ATOM 1800 O LEU A 116 -11.317 -7.161 35.012 1.00 0.00 O ATOM 1801 CB LEU A 116 -13.759 -8.198 34.151 1.00 0.00 C ATOM 1802 CG LEU A 116 -14.880 -9.219 33.950 1.00 0.00 C ATOM 1803 CD1 LEU A 116 -15.470 -9.059 32.547 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -14.315 -10.632 34.108 1.00 0.00 C ATOM 0 H LEU A 116 -14.781 -6.425 35.925 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.252 -9.034 36.105 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.057 -7.231 33.745 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.867 -8.510 33.608 1.00 0.00 H new ATOM 0 HG LEU A 116 -15.660 -9.054 34.693 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -16.269 -9.786 32.403 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -15.871 -8.052 32.434 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.690 -9.225 31.803 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.113 -11.361 33.965 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.535 -10.797 33.365 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.894 -10.746 35.107 1.00 0.00 H new ATOM 1816 N HIS A 117 -12.107 -6.530 36.965 1.00 0.00 N ATOM 1817 CA HIS A 117 -10.912 -5.675 37.226 1.00 0.00 C ATOM 1818 C HIS A 117 -10.734 -5.456 38.732 1.00 0.00 C ATOM 1819 O HIS A 117 -11.580 -5.817 39.527 1.00 0.00 O ATOM 1820 CB HIS A 117 -11.210 -4.348 36.520 1.00 0.00 C ATOM 1821 CG HIS A 117 -12.468 -3.740 37.082 1.00 0.00 C ATOM 1822 ND1 HIS A 117 -12.486 -3.067 38.292 1.00 0.00 N ATOM 1823 CD2 HIS A 117 -13.755 -3.698 36.610 1.00 0.00 C ATOM 1824 CE1 HIS A 117 -13.749 -2.651 38.505 1.00 0.00 C ATOM 1825 NE2 HIS A 117 -14.563 -3.009 37.511 1.00 0.00 N ATOM 0 H HIS A 117 -12.810 -6.531 37.704 1.00 0.00 H new ATOM 0 HA HIS A 117 -9.991 -6.132 36.862 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -10.374 -3.661 36.650 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -11.323 -4.513 35.449 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -14.091 -4.133 35.680 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -14.065 -2.095 39.375 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -15.562 -2.819 37.429 1.00 0.00 H new ATOM 1833 N HIS A 118 -9.638 -4.867 39.129 1.00 0.00 N ATOM 1834 CA HIS A 118 -9.399 -4.621 40.581 1.00 0.00 C ATOM 1835 C HIS A 118 -8.458 -3.427 40.764 1.00 0.00 C ATOM 1836 O HIS A 118 -7.269 -3.585 40.963 1.00 0.00 O ATOM 1837 CB HIS A 118 -8.749 -5.908 41.099 1.00 0.00 C ATOM 1838 CG HIS A 118 -9.524 -6.421 42.284 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -9.761 -5.642 43.405 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -10.120 -7.631 42.536 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -10.473 -6.385 44.271 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -10.718 -7.607 43.790 1.00 0.00 N ATOM 0 H HIS A 118 -8.896 -4.545 38.508 1.00 0.00 H new ATOM 0 HA HIS A 118 -10.317 -4.386 41.120 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -8.729 -6.661 40.311 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -7.714 -5.716 41.383 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -10.124 -8.475 41.862 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -10.806 -6.036 45.237 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -11.233 -8.360 44.245 1.00 0.00 H new ATOM 1850 N HIS A 119 -8.982 -2.233 40.697 1.00 0.00 N ATOM 1851 CA HIS A 119 -8.122 -1.024 40.864 1.00 0.00 C ATOM 1852 C HIS A 119 -7.901 -0.734 42.352 1.00 0.00 C ATOM 1853 O HIS A 119 -8.803 -0.856 43.156 1.00 0.00 O ATOM 1854 CB HIS A 119 -8.902 0.114 40.202 1.00 0.00 C ATOM 1855 CG HIS A 119 -7.963 0.962 39.389 1.00 0.00 C ATOM 1856 ND1 HIS A 119 -7.082 1.859 39.972 1.00 0.00 N ATOM 1857 CD2 HIS A 119 -7.758 1.063 38.035 1.00 0.00 C ATOM 1858 CE1 HIS A 119 -6.393 2.454 38.982 1.00 0.00 C ATOM 1859 NE2 HIS A 119 -6.766 2.005 37.780 1.00 0.00 N ATOM 0 H HIS A 119 -9.970 -2.041 40.534 1.00 0.00 H new ATOM 0 HA HIS A 119 -7.136 -1.153 40.417 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -9.687 -0.292 39.564 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.393 0.722 40.962 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -8.287 0.497 37.282 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -5.631 3.203 39.139 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -6.402 2.291 36.871 1.00 0.00 H new ATOM 1867 N HIS A 120 -6.708 -0.350 42.719 1.00 0.00 N ATOM 1868 CA HIS A 120 -6.426 -0.051 44.155 1.00 0.00 C ATOM 1869 C HIS A 120 -6.255 1.458 44.356 1.00 0.00 C ATOM 1870 O HIS A 120 -6.531 2.247 43.472 1.00 0.00 O ATOM 1871 CB HIS A 120 -5.123 -0.786 44.463 1.00 0.00 C ATOM 1872 CG HIS A 120 -5.425 -2.217 44.811 1.00 0.00 C ATOM 1873 ND1 HIS A 120 -6.224 -2.563 45.889 1.00 0.00 N ATOM 1874 CD2 HIS A 120 -5.041 -3.402 44.235 1.00 0.00 C ATOM 1875 CE1 HIS A 120 -6.294 -3.906 45.927 1.00 0.00 C ATOM 1876 NE2 HIS A 120 -5.591 -4.468 44.940 1.00 0.00 N ATOM 0 H HIS A 120 -5.916 -0.230 42.088 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.236 -0.368 44.811 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -4.456 -0.743 43.602 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -4.606 -0.301 45.291 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -4.407 -3.493 43.365 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.851 -4.462 46.666 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -5.481 -5.463 44.745 1.00 0.00 H new ATOM 1884 N HIS A 121 -5.801 1.861 45.511 1.00 0.00 N ATOM 1885 CA HIS A 121 -5.610 3.319 45.774 1.00 0.00 C ATOM 1886 C HIS A 121 -4.564 3.529 46.873 1.00 0.00 C ATOM 1887 O HIS A 121 -4.716 4.373 47.735 1.00 0.00 O ATOM 1888 CB HIS A 121 -6.980 3.828 46.230 1.00 0.00 C ATOM 1889 CG HIS A 121 -7.432 3.057 47.441 1.00 0.00 C ATOM 1890 ND1 HIS A 121 -7.605 3.660 48.678 1.00 0.00 N ATOM 1891 CD2 HIS A 121 -7.748 1.734 47.622 1.00 0.00 C ATOM 1892 CE1 HIS A 121 -8.009 2.709 49.539 1.00 0.00 C ATOM 1893 NE2 HIS A 121 -8.113 1.517 48.947 1.00 0.00 N ATOM 0 H HIS A 121 -5.553 1.245 46.285 1.00 0.00 H new ATOM 0 HA HIS A 121 -5.253 3.851 44.892 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.924 4.891 46.464 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -7.706 3.717 45.425 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -7.718 0.976 46.853 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -8.223 2.888 50.582 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -8.399 0.636 49.374 1.00 0.00 H new ATOM 1901 N HIS A 122 -3.503 2.768 46.849 1.00 0.00 N ATOM 1902 CA HIS A 122 -2.446 2.922 47.891 1.00 0.00 C ATOM 1903 C HIS A 122 -1.154 3.448 47.260 1.00 0.00 C ATOM 1904 O HIS A 122 -0.882 4.627 47.414 1.00 0.00 O ATOM 1905 CB HIS A 122 -2.235 1.514 48.452 1.00 0.00 C ATOM 1906 CG HIS A 122 -2.009 1.593 49.936 1.00 0.00 C ATOM 1907 ND1 HIS A 122 -1.303 2.629 50.522 1.00 0.00 N ATOM 1908 CD2 HIS A 122 -2.391 0.770 50.966 1.00 0.00 C ATOM 1909 CE1 HIS A 122 -1.281 2.407 51.849 1.00 0.00 C ATOM 1910 NE2 HIS A 122 -1.930 1.287 52.174 1.00 0.00 N ATOM 1911 OXT HIS A 122 -0.461 2.664 46.636 1.00 0.00 O ATOM 0 H HIS A 122 -3.322 2.045 46.152 1.00 0.00 H new ATOM 0 HA HIS A 122 -2.731 3.632 48.668 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -3.104 0.892 48.239 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -1.380 1.043 47.968 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.962 -0.140 50.856 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -0.797 3.056 52.564 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -2.060 0.894 53.106 1.00 0.00 H new TER 1919 HIS A 122