USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 786 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 48 GLN : amide:sc= -0.834 X(o=0.23,f=0.38) USER MOD Set 1.2: B 49 TYR OH : rot 176:sc= 1.06 USER MOD Set 2.1: B 34 GLN : amide:sc= 1.31 K(o=2.2,f=1.5) USER MOD Set 2.2: B 38 TYR OH : rot 180:sc= 0.931 USER MOD Set 3.1: A 34 GLN : amide:sc= 1.05 K(o=2,f=1.4) USER MOD Set 3.2: A 38 TYR OH : rot 180:sc= 0.922 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.013 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 13 SER OG : rot 91:sc= 0.112 USER MOD Single : A 15 SER OG : rot 162:sc= 1.16 USER MOD Single : A 16 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.31) USER MOD Single : A 17 MET CE :methyl -169:sc= 0 (180deg=-0.129) USER MOD Single : A 19 SER OG : rot 70:sc= 0.673 USER MOD Single : A 20 MET CE :methyl 180:sc= -1.11 (180deg=-1.11) USER MOD Single : A 23 SER OG : rot 177:sc= -0.878 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -67:sc= 0.351 USER MOD Single : A 36 LYS NZ :NH3+ 140:sc= 1.25 (180deg=1.12) USER MOD Single : A 37 ASN : amide:sc= -0.505 K(o=-0.5,f=-4!) USER MOD Single : A 46 THR OG1 : rot 54:sc= 1.24 USER MOD Single : A 49 TYR OH : rot 166:sc= 0.731 USER MOD Single : A 50 SER OG : rot -39:sc= 0.432 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.868 K(o=0.87,f=-3.1!) USER MOD Single : B 1 GLY N :NH3+ -122:sc= 0.107 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 105:sc= 1.26 USER MOD Single : B 15 SER OG : rot 166:sc= 1.06 USER MOD Single : B 16 GLN : amide:sc= -0.0439 X(o=-0.044,f=-0.03) USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -139:sc= -0.447 (180deg=-1.76!) USER MOD Single : B 23 SER OG : rot 180:sc= -0.059 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -169:sc= 0.0676 USER MOD Single : B 36 LYS NZ :NH3+ -120:sc= 1.2 (180deg=-0.595) USER MOD Single : B 37 ASN : amide:sc= -0.152 K(o=-0.15,f=-3.1!) USER MOD Single : B 46 THR OG1 : rot 71:sc= 1.25 USER MOD Single : B 48 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 50 SER OG : rot 57:sc= 0.848 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.765 19.604 -3.474 1.00 10.00 N ATOM 2 CA GLY A 1 19.127 18.227 -3.876 1.00 10.00 C ATOM 3 C GLY A 1 19.511 17.378 -2.689 1.00 10.00 C ATOM 4 O GLY A 1 18.907 17.490 -1.621 1.00 10.00 O ATOM 0 H1 GLY A 1 17.936 19.918 -4.019 1.00 10.00 H new ATOM 0 H2 GLY A 1 18.539 19.621 -2.459 1.00 10.00 H new ATOM 0 H3 GLY A 1 19.565 20.242 -3.662 1.00 10.00 H new ATOM 0 HA2 GLY A 1 18.286 17.767 -4.395 1.00 10.00 H new ATOM 0 HA3 GLY A 1 19.957 18.261 -4.582 1.00 10.00 H new ATOM 10 N SER A 2 20.518 16.538 -2.864 1.00 10.00 N ATOM 11 CA SER A 2 20.977 15.665 -1.799 1.00 10.00 C ATOM 12 C SER A 2 22.266 16.204 -1.179 1.00 10.00 C ATOM 13 O SER A 2 23.270 16.372 -1.875 1.00 10.00 O ATOM 14 CB SER A 2 21.200 14.257 -2.354 1.00 10.00 C ATOM 15 OG SER A 2 20.963 14.224 -3.755 1.00 10.00 O ATOM 0 H SER A 2 21.035 16.443 -3.738 1.00 10.00 H new ATOM 0 HA SER A 2 20.217 15.627 -1.019 1.00 10.00 H new ATOM 0 HB2 SER A 2 22.221 13.936 -2.146 1.00 10.00 H new ATOM 0 HB3 SER A 2 20.536 13.554 -1.851 1.00 10.00 H new ATOM 0 HG SER A 2 21.113 13.316 -4.091 1.00 10.00 H new ATOM 21 N PRO A 3 22.245 16.509 0.125 1.00 10.00 N ATOM 22 CA PRO A 3 23.424 17.014 0.822 1.00 10.00 C ATOM 23 C PRO A 3 24.430 15.898 1.110 1.00 10.00 C ATOM 24 O PRO A 3 24.044 14.761 1.371 1.00 10.00 O ATOM 25 CB PRO A 3 22.850 17.580 2.122 1.00 10.00 C ATOM 26 CG PRO A 3 21.611 16.789 2.370 1.00 10.00 C ATOM 27 CD PRO A 3 21.076 16.390 1.019 1.00 10.00 C ATOM 0 HA PRO A 3 23.973 17.751 0.236 1.00 10.00 H new ATOM 0 HB2 PRO A 3 23.557 17.475 2.945 1.00 10.00 H new ATOM 0 HB3 PRO A 3 22.628 18.643 2.026 1.00 10.00 H new ATOM 0 HG2 PRO A 3 21.828 15.909 2.976 1.00 10.00 H new ATOM 0 HG3 PRO A 3 20.877 17.380 2.918 1.00 10.00 H new ATOM 0 HD2 PRO A 3 20.683 15.373 1.029 1.00 10.00 H new ATOM 0 HD3 PRO A 3 20.263 17.043 0.702 1.00 10.00 H new ATOM 35 N PRO A 4 25.736 16.212 1.054 1.00 10.00 N ATOM 36 CA PRO A 4 26.814 15.241 1.313 1.00 10.00 C ATOM 37 C PRO A 4 26.688 14.550 2.671 1.00 10.00 C ATOM 38 O PRO A 4 27.271 13.486 2.891 1.00 10.00 O ATOM 39 CB PRO A 4 28.082 16.096 1.283 1.00 10.00 C ATOM 40 CG PRO A 4 27.729 17.280 0.458 1.00 10.00 C ATOM 41 CD PRO A 4 26.268 17.536 0.693 1.00 10.00 C ATOM 0 HA PRO A 4 26.798 14.433 0.582 1.00 10.00 H new ATOM 0 HB2 PRO A 4 28.383 16.391 2.288 1.00 10.00 H new ATOM 0 HB3 PRO A 4 28.918 15.547 0.848 1.00 10.00 H new ATOM 0 HG2 PRO A 4 28.326 18.146 0.744 1.00 10.00 H new ATOM 0 HG3 PRO A 4 27.926 17.091 -0.597 1.00 10.00 H new ATOM 0 HD2 PRO A 4 26.112 18.262 1.491 1.00 10.00 H new ATOM 0 HD3 PRO A 4 25.783 17.933 -0.198 1.00 10.00 H new ATOM 49 N GLU A 5 25.941 15.162 3.581 1.00 10.00 N ATOM 50 CA GLU A 5 25.737 14.611 4.914 1.00 10.00 C ATOM 51 C GLU A 5 24.806 13.401 4.870 1.00 10.00 C ATOM 52 O GLU A 5 24.836 12.548 5.761 1.00 10.00 O ATOM 53 CB GLU A 5 25.166 15.681 5.839 1.00 10.00 C ATOM 54 CG GLU A 5 26.101 16.858 6.053 1.00 10.00 C ATOM 55 CD GLU A 5 27.349 16.474 6.818 1.00 10.00 C ATOM 56 OE1 GLU A 5 28.329 16.033 6.181 1.00 10.00 O ATOM 57 OE2 GLU A 5 27.357 16.602 8.057 1.00 10.00 O ATOM 0 H GLU A 5 25.463 16.048 3.418 1.00 10.00 H new ATOM 0 HA GLU A 5 26.702 14.282 5.300 1.00 10.00 H new ATOM 0 HB2 GLU A 5 24.226 16.045 5.424 1.00 10.00 H new ATOM 0 HB3 GLU A 5 24.935 15.230 6.804 1.00 10.00 H new ATOM 0 HG2 GLU A 5 26.385 17.273 5.086 1.00 10.00 H new ATOM 0 HG3 GLU A 5 25.574 17.643 6.595 1.00 10.00 H new ATOM 64 N ALA A 6 23.983 13.332 3.833 1.00 10.00 N ATOM 65 CA ALA A 6 23.054 12.227 3.674 1.00 10.00 C ATOM 66 C ALA A 6 23.808 10.977 3.250 1.00 10.00 C ATOM 67 O ALA A 6 24.699 11.040 2.403 1.00 10.00 O ATOM 68 CB ALA A 6 21.975 12.575 2.661 1.00 10.00 C ATOM 0 H ALA A 6 23.941 14.030 3.090 1.00 10.00 H new ATOM 0 HA ALA A 6 22.567 12.035 4.630 1.00 10.00 H new ATOM 0 HB1 ALA A 6 21.289 11.734 2.556 1.00 10.00 H new ATOM 0 HB2 ALA A 6 21.425 13.452 3.002 1.00 10.00 H new ATOM 0 HB3 ALA A 6 22.436 12.789 1.697 1.00 10.00 H new ATOM 74 N ASP A 7 23.455 9.848 3.849 1.00 10.00 N ATOM 75 CA ASP A 7 24.107 8.584 3.542 1.00 10.00 C ATOM 76 C ASP A 7 23.812 8.160 2.104 1.00 10.00 C ATOM 77 O ASP A 7 22.651 7.950 1.735 1.00 10.00 O ATOM 78 CB ASP A 7 23.639 7.497 4.508 1.00 10.00 C ATOM 79 CG ASP A 7 24.592 6.324 4.558 1.00 10.00 C ATOM 80 OD1 ASP A 7 24.491 5.423 3.695 1.00 10.00 O ATOM 81 OD2 ASP A 7 25.447 6.293 5.465 1.00 10.00 O ATOM 0 H ASP A 7 22.719 9.782 4.552 1.00 10.00 H new ATOM 0 HA ASP A 7 25.183 8.721 3.653 1.00 10.00 H new ATOM 0 HB2 ASP A 7 23.536 7.921 5.507 1.00 10.00 H new ATOM 0 HB3 ASP A 7 22.651 7.147 4.207 1.00 10.00 H new ATOM 86 N PRO A 8 24.863 8.005 1.282 1.00 10.00 N ATOM 87 CA PRO A 8 24.723 7.618 -0.125 1.00 10.00 C ATOM 88 C PRO A 8 24.180 6.201 -0.296 1.00 10.00 C ATOM 89 O PRO A 8 23.707 5.837 -1.368 1.00 10.00 O ATOM 90 CB PRO A 8 26.152 7.712 -0.674 1.00 10.00 C ATOM 91 CG PRO A 8 27.032 7.577 0.520 1.00 10.00 C ATOM 92 CD PRO A 8 26.275 8.195 1.663 1.00 10.00 C ATOM 0 HA PRO A 8 24.010 8.258 -0.645 1.00 10.00 H new ATOM 0 HB2 PRO A 8 26.349 6.924 -1.401 1.00 10.00 H new ATOM 0 HB3 PRO A 8 26.318 8.662 -1.182 1.00 10.00 H new ATOM 0 HG2 PRO A 8 27.258 6.530 0.722 1.00 10.00 H new ATOM 0 HG3 PRO A 8 27.984 8.084 0.363 1.00 10.00 H new ATOM 0 HD2 PRO A 8 26.505 7.705 2.609 1.00 10.00 H new ATOM 0 HD3 PRO A 8 26.520 9.250 1.783 1.00 10.00 H new ATOM 100 N ARG A 9 24.248 5.408 0.763 1.00 10.00 N ATOM 101 CA ARG A 9 23.759 4.036 0.716 1.00 10.00 C ATOM 102 C ARG A 9 22.311 3.978 1.184 1.00 10.00 C ATOM 103 O ARG A 9 21.498 3.237 0.636 1.00 10.00 O ATOM 104 CB ARG A 9 24.632 3.123 1.577 1.00 10.00 C ATOM 105 CG ARG A 9 26.102 3.142 1.187 1.00 10.00 C ATOM 106 CD ARG A 9 26.988 2.763 2.361 1.00 10.00 C ATOM 107 NE ARG A 9 26.816 3.680 3.486 1.00 10.00 N ATOM 108 CZ ARG A 9 27.676 3.783 4.496 1.00 10.00 C ATOM 109 NH1 ARG A 9 28.773 3.041 4.521 1.00 10.00 N ATOM 110 NH2 ARG A 9 27.441 4.634 5.481 1.00 10.00 N ATOM 0 H ARG A 9 24.636 5.689 1.664 1.00 10.00 H new ATOM 0 HA ARG A 9 23.810 3.686 -0.315 1.00 10.00 H new ATOM 0 HB2 ARG A 9 24.538 3.423 2.621 1.00 10.00 H new ATOM 0 HB3 ARG A 9 24.258 2.102 1.503 1.00 10.00 H new ATOM 0 HG2 ARG A 9 26.271 2.449 0.362 1.00 10.00 H new ATOM 0 HG3 ARG A 9 26.373 4.135 0.830 1.00 10.00 H new ATOM 0 HD2 ARG A 9 26.754 1.747 2.680 1.00 10.00 H new ATOM 0 HD3 ARG A 9 28.031 2.766 2.045 1.00 10.00 H new ATOM 0 HE ARG A 9 25.988 4.276 3.498 1.00 10.00 H new ATOM 0 HH11 ARG A 9 28.963 2.386 3.763 1.00 10.00 H new ATOM 0 HH12 ARG A 9 29.428 3.125 5.298 1.00 10.00 H new ATOM 0 HH21 ARG A 9 26.600 5.211 5.466 1.00 10.00 H new ATOM 0 HH22 ARG A 9 28.100 4.713 6.255 1.00 10.00 H new ATOM 124 N LEU A 10 21.991 4.774 2.198 1.00 10.00 N ATOM 125 CA LEU A 10 20.636 4.816 2.735 1.00 10.00 C ATOM 126 C LEU A 10 19.672 5.406 1.711 1.00 10.00 C ATOM 127 O LEU A 10 18.528 4.967 1.594 1.00 10.00 O ATOM 128 CB LEU A 10 20.583 5.633 4.026 1.00 10.00 C ATOM 129 CG LEU A 10 19.245 5.577 4.769 1.00 10.00 C ATOM 130 CD1 LEU A 10 19.003 4.185 5.328 1.00 10.00 C ATOM 131 CD2 LEU A 10 19.207 6.613 5.881 1.00 10.00 C ATOM 0 H LEU A 10 22.650 5.398 2.664 1.00 10.00 H new ATOM 0 HA LEU A 10 20.335 3.793 2.959 1.00 10.00 H new ATOM 0 HB2 LEU A 10 21.368 5.281 4.695 1.00 10.00 H new ATOM 0 HB3 LEU A 10 20.808 6.673 3.790 1.00 10.00 H new ATOM 0 HG LEU A 10 18.449 5.806 4.060 1.00 10.00 H new ATOM 0 HD11 LEU A 10 18.048 4.165 5.853 1.00 10.00 H new ATOM 0 HD12 LEU A 10 18.984 3.463 4.511 1.00 10.00 H new ATOM 0 HD13 LEU A 10 19.803 3.927 6.022 1.00 10.00 H new ATOM 0 HD21 LEU A 10 18.249 6.558 6.397 1.00 10.00 H new ATOM 0 HD22 LEU A 10 20.012 6.417 6.589 1.00 10.00 H new ATOM 0 HD23 LEU A 10 19.333 7.608 5.455 1.00 10.00 H new ATOM 143 N ILE A 11 20.146 6.392 0.957 1.00 10.00 N ATOM 144 CA ILE A 11 19.326 7.036 -0.060 1.00 10.00 C ATOM 145 C ILE A 11 19.062 6.070 -1.216 1.00 10.00 C ATOM 146 O ILE A 11 18.139 6.261 -2.008 1.00 10.00 O ATOM 147 CB ILE A 11 19.989 8.332 -0.587 1.00 10.00 C ATOM 148 CG1 ILE A 11 18.976 9.170 -1.371 1.00 10.00 C ATOM 149 CG2 ILE A 11 21.203 8.011 -1.447 1.00 10.00 C ATOM 150 CD1 ILE A 11 19.501 10.525 -1.793 1.00 10.00 C ATOM 0 H ILE A 11 21.094 6.762 1.032 1.00 10.00 H new ATOM 0 HA ILE A 11 18.377 7.310 0.401 1.00 10.00 H new ATOM 0 HB ILE A 11 20.329 8.914 0.270 1.00 10.00 H new ATOM 0 HG12 ILE A 11 18.670 8.617 -2.259 1.00 10.00 H new ATOM 0 HG13 ILE A 11 18.084 9.310 -0.760 1.00 10.00 H new ATOM 0 HG21 ILE A 11 21.651 8.938 -1.805 1.00 10.00 H new ATOM 0 HG22 ILE A 11 21.933 7.460 -0.854 1.00 10.00 H new ATOM 0 HG23 ILE A 11 20.895 7.404 -2.299 1.00 10.00 H new ATOM 0 HD11 ILE A 11 18.727 11.060 -2.343 1.00 10.00 H new ATOM 0 HD12 ILE A 11 19.780 11.099 -0.909 1.00 10.00 H new ATOM 0 HD13 ILE A 11 20.375 10.394 -2.431 1.00 10.00 H new ATOM 162 N GLU A 12 19.859 5.009 -1.279 1.00 10.00 N ATOM 163 CA GLU A 12 19.722 4.010 -2.327 1.00 10.00 C ATOM 164 C GLU A 12 18.564 3.068 -2.043 1.00 10.00 C ATOM 165 O GLU A 12 18.149 2.314 -2.920 1.00 10.00 O ATOM 166 CB GLU A 12 21.019 3.222 -2.504 1.00 10.00 C ATOM 167 CG GLU A 12 22.083 3.990 -3.268 1.00 10.00 C ATOM 168 CD GLU A 12 21.646 4.353 -4.674 1.00 10.00 C ATOM 169 OE1 GLU A 12 20.860 5.312 -4.833 1.00 10.00 O ATOM 170 OE2 GLU A 12 22.081 3.677 -5.628 1.00 10.00 O ATOM 0 H GLU A 12 20.608 4.820 -0.613 1.00 10.00 H new ATOM 0 HA GLU A 12 19.509 4.537 -3.257 1.00 10.00 H new ATOM 0 HB2 GLU A 12 21.409 2.951 -1.523 1.00 10.00 H new ATOM 0 HB3 GLU A 12 20.803 2.292 -3.029 1.00 10.00 H new ATOM 0 HG2 GLU A 12 22.330 4.901 -2.722 1.00 10.00 H new ATOM 0 HG3 GLU A 12 22.992 3.391 -3.318 1.00 10.00 H new ATOM 177 N SER A 13 18.047 3.103 -0.819 1.00 10.00 N ATOM 178 CA SER A 13 16.921 2.256 -0.453 1.00 10.00 C ATOM 179 C SER A 13 15.706 2.616 -1.307 1.00 10.00 C ATOM 180 O SER A 13 14.888 1.759 -1.642 1.00 10.00 O ATOM 181 CB SER A 13 16.600 2.407 1.036 1.00 10.00 C ATOM 182 OG SER A 13 17.708 2.019 1.833 1.00 10.00 O ATOM 0 H SER A 13 18.388 3.705 -0.069 1.00 10.00 H new ATOM 0 HA SER A 13 17.184 1.214 -0.638 1.00 10.00 H new ATOM 0 HB2 SER A 13 16.336 3.442 1.252 1.00 10.00 H new ATOM 0 HB3 SER A 13 15.733 1.797 1.289 1.00 10.00 H new ATOM 0 HG SER A 13 18.275 2.799 2.007 1.00 10.00 H new ATOM 188 N LEU A 14 15.614 3.886 -1.682 1.00 10.00 N ATOM 189 CA LEU A 14 14.520 4.353 -2.519 1.00 10.00 C ATOM 190 C LEU A 14 14.745 3.876 -3.950 1.00 10.00 C ATOM 191 O LEU A 14 13.839 3.355 -4.600 1.00 10.00 O ATOM 192 CB LEU A 14 14.424 5.882 -2.489 1.00 10.00 C ATOM 193 CG LEU A 14 14.054 6.500 -1.133 1.00 10.00 C ATOM 194 CD1 LEU A 14 15.300 6.999 -0.411 1.00 10.00 C ATOM 195 CD2 LEU A 14 13.052 7.633 -1.316 1.00 10.00 C ATOM 0 H LEU A 14 16.284 4.609 -1.419 1.00 10.00 H new ATOM 0 HA LEU A 14 13.584 3.946 -2.135 1.00 10.00 H new ATOM 0 HB2 LEU A 14 15.382 6.294 -2.806 1.00 10.00 H new ATOM 0 HB3 LEU A 14 13.683 6.196 -3.225 1.00 10.00 H new ATOM 0 HG LEU A 14 13.590 5.727 -0.521 1.00 10.00 H new ATOM 0 HD11 LEU A 14 15.016 7.433 0.548 1.00 10.00 H new ATOM 0 HD12 LEU A 14 15.982 6.165 -0.244 1.00 10.00 H new ATOM 0 HD13 LEU A 14 15.795 7.756 -1.020 1.00 10.00 H new ATOM 0 HD21 LEU A 14 12.802 8.058 -0.344 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.488 8.406 -1.949 1.00 10.00 H new ATOM 0 HD23 LEU A 14 12.148 7.247 -1.786 1.00 10.00 H new ATOM 207 N SER A 15 15.975 4.050 -4.422 1.00 10.00 N ATOM 208 CA SER A 15 16.359 3.646 -5.765 1.00 10.00 C ATOM 209 C SER A 15 16.202 2.137 -5.947 1.00 10.00 C ATOM 210 O SER A 15 15.735 1.676 -6.981 1.00 10.00 O ATOM 211 CB SER A 15 17.803 4.072 -6.028 1.00 10.00 C ATOM 212 OG SER A 15 18.145 5.198 -5.231 1.00 10.00 O ATOM 0 H SER A 15 16.730 4.474 -3.884 1.00 10.00 H new ATOM 0 HA SER A 15 15.702 4.136 -6.484 1.00 10.00 H new ATOM 0 HB2 SER A 15 18.478 3.245 -5.807 1.00 10.00 H new ATOM 0 HB3 SER A 15 17.930 4.314 -7.083 1.00 10.00 H new ATOM 0 HG SER A 15 19.120 5.286 -5.190 1.00 10.00 H new ATOM 218 N GLN A 16 16.583 1.381 -4.920 1.00 10.00 N ATOM 219 CA GLN A 16 16.490 -0.075 -4.955 1.00 10.00 C ATOM 220 C GLN A 16 15.050 -0.523 -5.177 1.00 10.00 C ATOM 221 O GLN A 16 14.796 -1.472 -5.926 1.00 10.00 O ATOM 222 CB GLN A 16 17.037 -0.678 -3.659 1.00 10.00 C ATOM 223 CG GLN A 16 17.311 -2.172 -3.752 1.00 10.00 C ATOM 224 CD GLN A 16 18.203 -2.525 -4.928 1.00 10.00 C ATOM 225 OE1 GLN A 16 19.427 -2.500 -4.820 1.00 10.00 O ATOM 226 NE2 GLN A 16 17.597 -2.857 -6.060 1.00 10.00 N ATOM 0 H GLN A 16 16.961 1.756 -4.050 1.00 10.00 H new ATOM 0 HA GLN A 16 17.093 -0.432 -5.790 1.00 10.00 H new ATOM 0 HB2 GLN A 16 17.959 -0.164 -3.390 1.00 10.00 H new ATOM 0 HB3 GLN A 16 16.324 -0.497 -2.854 1.00 10.00 H new ATOM 0 HG2 GLN A 16 17.781 -2.510 -2.829 1.00 10.00 H new ATOM 0 HG3 GLN A 16 16.366 -2.707 -3.843 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.578 -2.866 -6.110 1.00 10.00 H new ATOM 0 HE22 GLN A 16 18.150 -3.104 -6.881 1.00 10.00 H new ATOM 235 N MET A 17 14.113 0.158 -4.525 1.00 10.00 N ATOM 236 CA MET A 17 12.699 -0.166 -4.675 1.00 10.00 C ATOM 237 C MET A 17 12.261 0.100 -6.109 1.00 10.00 C ATOM 238 O MET A 17 11.552 -0.700 -6.722 1.00 10.00 O ATOM 239 CB MET A 17 11.846 0.656 -3.705 1.00 10.00 C ATOM 240 CG MET A 17 12.048 0.288 -2.240 1.00 10.00 C ATOM 241 SD MET A 17 11.523 -1.397 -1.856 1.00 10.00 S ATOM 242 CE MET A 17 9.739 -1.229 -1.934 1.00 10.00 C ATOM 0 H MET A 17 14.306 0.933 -3.891 1.00 10.00 H new ATOM 0 HA MET A 17 12.558 -1.222 -4.443 1.00 10.00 H new ATOM 0 HB2 MET A 17 12.077 1.713 -3.839 1.00 10.00 H new ATOM 0 HB3 MET A 17 10.795 0.525 -3.961 1.00 10.00 H new ATOM 0 HG2 MET A 17 13.102 0.401 -1.985 1.00 10.00 H new ATOM 0 HG3 MET A 17 11.492 0.987 -1.616 1.00 10.00 H new ATOM 0 HE1 MET A 17 9.271 -2.127 -1.532 1.00 10.00 H new ATOM 0 HE2 MET A 17 9.429 -0.364 -1.347 1.00 10.00 H new ATOM 0 HE3 MET A 17 9.431 -1.093 -2.971 1.00 10.00 H new ATOM 252 N LEU A 18 12.720 1.227 -6.641 1.00 10.00 N ATOM 253 CA LEU A 18 12.412 1.629 -8.006 1.00 10.00 C ATOM 254 C LEU A 18 12.964 0.604 -9.001 1.00 10.00 C ATOM 255 O LEU A 18 12.276 0.203 -9.943 1.00 10.00 O ATOM 256 CB LEU A 18 13.016 3.009 -8.281 1.00 10.00 C ATOM 257 CG LEU A 18 12.840 3.541 -9.703 1.00 10.00 C ATOM 258 CD1 LEU A 18 11.467 4.172 -9.874 1.00 10.00 C ATOM 259 CD2 LEU A 18 13.931 4.546 -10.030 1.00 10.00 C ATOM 0 H LEU A 18 13.315 1.886 -6.138 1.00 10.00 H new ATOM 0 HA LEU A 18 11.330 1.679 -8.127 1.00 10.00 H new ATOM 0 HB2 LEU A 18 12.572 3.724 -7.588 1.00 10.00 H new ATOM 0 HB3 LEU A 18 14.082 2.969 -8.058 1.00 10.00 H new ATOM 0 HG LEU A 18 12.920 2.703 -10.396 1.00 10.00 H new ATOM 0 HD11 LEU A 18 11.362 4.544 -10.893 1.00 10.00 H new ATOM 0 HD12 LEU A 18 10.697 3.426 -9.679 1.00 10.00 H new ATOM 0 HD13 LEU A 18 11.357 4.999 -9.172 1.00 10.00 H new ATOM 0 HD21 LEU A 18 13.792 4.916 -11.046 1.00 10.00 H new ATOM 0 HD22 LEU A 18 13.879 5.380 -9.330 1.00 10.00 H new ATOM 0 HD23 LEU A 18 14.905 4.064 -9.949 1.00 10.00 H new ATOM 271 N SER A 19 14.202 0.174 -8.769 1.00 10.00 N ATOM 272 CA SER A 19 14.865 -0.801 -9.629 1.00 10.00 C ATOM 273 C SER A 19 14.168 -2.161 -9.588 1.00 10.00 C ATOM 274 O SER A 19 14.209 -2.917 -10.558 1.00 10.00 O ATOM 275 CB SER A 19 16.328 -0.955 -9.206 1.00 10.00 C ATOM 276 OG SER A 19 16.992 0.296 -9.216 1.00 10.00 O ATOM 0 H SER A 19 14.771 0.490 -7.984 1.00 10.00 H new ATOM 0 HA SER A 19 14.813 -0.431 -10.653 1.00 10.00 H new ATOM 0 HB2 SER A 19 16.378 -1.390 -8.208 1.00 10.00 H new ATOM 0 HB3 SER A 19 16.835 -1.645 -9.880 1.00 10.00 H new ATOM 0 HG SER A 19 16.654 0.852 -8.483 1.00 10.00 H new ATOM 282 N MET A 20 13.518 -2.469 -8.471 1.00 10.00 N ATOM 283 CA MET A 20 12.825 -3.745 -8.327 1.00 10.00 C ATOM 284 C MET A 20 11.476 -3.721 -9.039 1.00 10.00 C ATOM 285 O MET A 20 10.792 -4.741 -9.123 1.00 10.00 O ATOM 286 CB MET A 20 12.632 -4.101 -6.853 1.00 10.00 C ATOM 287 CG MET A 20 13.795 -4.884 -6.263 1.00 10.00 C ATOM 288 SD MET A 20 13.438 -5.534 -4.621 1.00 10.00 S ATOM 289 CE MET A 20 13.102 -4.023 -3.722 1.00 10.00 C ATOM 0 H MET A 20 13.456 -1.858 -7.657 1.00 10.00 H new ATOM 0 HA MET A 20 13.448 -4.510 -8.791 1.00 10.00 H new ATOM 0 HB2 MET A 20 12.494 -3.184 -6.281 1.00 10.00 H new ATOM 0 HB3 MET A 20 11.718 -4.685 -6.745 1.00 10.00 H new ATOM 0 HG2 MET A 20 14.046 -5.710 -6.929 1.00 10.00 H new ATOM 0 HG3 MET A 20 14.672 -4.239 -6.211 1.00 10.00 H new ATOM 0 HE1 MET A 20 12.864 -4.262 -2.685 1.00 10.00 H new ATOM 0 HE2 MET A 20 13.980 -3.378 -3.753 1.00 10.00 H new ATOM 0 HE3 MET A 20 12.257 -3.508 -4.179 1.00 10.00 H new ATOM 299 N GLY A 21 11.098 -2.557 -9.548 1.00 10.00 N ATOM 300 CA GLY A 21 9.841 -2.435 -10.256 1.00 10.00 C ATOM 301 C GLY A 21 8.731 -1.905 -9.374 1.00 10.00 C ATOM 302 O GLY A 21 7.554 -2.018 -9.714 1.00 10.00 O ATOM 0 H GLY A 21 11.640 -1.695 -9.483 1.00 10.00 H new ATOM 0 HA2 GLY A 21 9.971 -1.771 -11.110 1.00 10.00 H new ATOM 0 HA3 GLY A 21 9.554 -3.409 -10.651 1.00 10.00 H new ATOM 306 N PHE A 22 9.099 -1.331 -8.236 1.00 10.00 N ATOM 307 CA PHE A 22 8.114 -0.780 -7.321 1.00 10.00 C ATOM 308 C PHE A 22 8.078 0.736 -7.430 1.00 10.00 C ATOM 309 O PHE A 22 9.091 1.414 -7.251 1.00 10.00 O ATOM 310 CB PHE A 22 8.403 -1.206 -5.879 1.00 10.00 C ATOM 311 CG PHE A 22 7.762 -2.512 -5.510 1.00 10.00 C ATOM 312 CD1 PHE A 22 8.420 -3.710 -5.740 1.00 10.00 C ATOM 313 CD2 PHE A 22 6.503 -2.541 -4.934 1.00 10.00 C ATOM 314 CE1 PHE A 22 7.829 -4.914 -5.403 1.00 10.00 C ATOM 315 CE2 PHE A 22 5.908 -3.739 -4.594 1.00 10.00 C ATOM 316 CZ PHE A 22 6.572 -4.929 -4.828 1.00 10.00 C ATOM 0 H PHE A 22 10.067 -1.236 -7.928 1.00 10.00 H new ATOM 0 HA PHE A 22 7.137 -1.174 -7.600 1.00 10.00 H new ATOM 0 HB2 PHE A 22 9.481 -1.285 -5.739 1.00 10.00 H new ATOM 0 HB3 PHE A 22 8.050 -0.430 -5.200 1.00 10.00 H new ATOM 0 HD1 PHE A 22 9.403 -3.703 -6.187 1.00 10.00 H new ATOM 0 HD2 PHE A 22 5.980 -1.614 -4.748 1.00 10.00 H new ATOM 0 HE1 PHE A 22 8.349 -5.842 -5.589 1.00 10.00 H new ATOM 0 HE2 PHE A 22 4.925 -3.747 -4.146 1.00 10.00 H new ATOM 0 HZ PHE A 22 6.110 -5.868 -4.562 1.00 10.00 H new ATOM 326 N SER A 23 6.904 1.259 -7.740 1.00 10.00 N ATOM 327 CA SER A 23 6.707 2.691 -7.883 1.00 10.00 C ATOM 328 C SER A 23 5.245 3.033 -7.643 1.00 10.00 C ATOM 329 O SER A 23 4.353 2.262 -7.997 1.00 10.00 O ATOM 330 CB SER A 23 7.141 3.153 -9.277 1.00 10.00 C ATOM 331 OG SER A 23 8.496 2.811 -9.528 1.00 10.00 O ATOM 0 H SER A 23 6.063 0.705 -7.899 1.00 10.00 H new ATOM 0 HA SER A 23 7.319 3.209 -7.145 1.00 10.00 H new ATOM 0 HB2 SER A 23 6.501 2.695 -10.031 1.00 10.00 H new ATOM 0 HB3 SER A 23 7.013 4.232 -9.363 1.00 10.00 H new ATOM 0 HG SER A 23 8.735 3.072 -10.442 1.00 10.00 H new ATOM 337 N ASP A 24 4.998 4.183 -7.044 1.00 10.00 N ATOM 338 CA ASP A 24 3.640 4.596 -6.747 1.00 10.00 C ATOM 339 C ASP A 24 3.081 5.496 -7.837 1.00 10.00 C ATOM 340 O ASP A 24 3.822 6.179 -8.546 1.00 10.00 O ATOM 341 CB ASP A 24 3.560 5.300 -5.386 1.00 10.00 C ATOM 342 CG ASP A 24 4.666 6.319 -5.147 1.00 10.00 C ATOM 343 OD1 ASP A 24 5.318 6.759 -6.116 1.00 10.00 O ATOM 344 OD2 ASP A 24 4.881 6.687 -3.975 1.00 10.00 O ATOM 0 H ASP A 24 5.718 4.845 -6.755 1.00 10.00 H new ATOM 0 HA ASP A 24 3.031 3.693 -6.706 1.00 10.00 H new ATOM 0 HB2 ASP A 24 2.595 5.801 -5.304 1.00 10.00 H new ATOM 0 HB3 ASP A 24 3.597 4.548 -4.597 1.00 10.00 H new ATOM 349 N GLU A 25 1.767 5.478 -7.969 1.00 10.00 N ATOM 350 CA GLU A 25 1.075 6.288 -8.960 1.00 10.00 C ATOM 351 C GLU A 25 0.506 7.530 -8.294 1.00 10.00 C ATOM 352 O GLU A 25 0.604 8.636 -8.825 1.00 10.00 O ATOM 353 CB GLU A 25 -0.056 5.491 -9.629 1.00 10.00 C ATOM 354 CG GLU A 25 -0.128 4.028 -9.206 1.00 10.00 C ATOM 355 CD GLU A 25 -0.822 3.831 -7.869 1.00 10.00 C ATOM 356 OE1 GLU A 25 -0.582 4.633 -6.942 1.00 10.00 O ATOM 357 OE2 GLU A 25 -1.590 2.853 -7.732 1.00 10.00 O ATOM 0 H GLU A 25 1.149 4.904 -7.395 1.00 10.00 H new ATOM 0 HA GLU A 25 1.790 6.579 -9.730 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -1.008 5.971 -9.400 1.00 10.00 H new ATOM 0 HB3 GLU A 25 0.072 5.538 -10.710 1.00 10.00 H new ATOM 0 HG2 GLU A 25 -0.657 3.460 -9.971 1.00 10.00 H new ATOM 0 HG3 GLU A 25 0.882 3.622 -9.148 1.00 10.00 H new ATOM 364 N GLY A 26 -0.099 7.328 -7.129 1.00 10.00 N ATOM 365 CA GLY A 26 -0.666 8.430 -6.375 1.00 10.00 C ATOM 366 C GLY A 26 0.275 8.918 -5.293 1.00 10.00 C ATOM 367 O GLY A 26 -0.064 9.812 -4.517 1.00 10.00 O ATOM 0 H GLY A 26 -0.207 6.413 -6.691 1.00 10.00 H new ATOM 0 HA2 GLY A 26 -0.898 9.252 -7.052 1.00 10.00 H new ATOM 0 HA3 GLY A 26 -1.606 8.115 -5.923 1.00 10.00 H new ATOM 371 N GLY A 27 1.461 8.326 -5.242 1.00 10.00 N ATOM 372 CA GLY A 27 2.444 8.707 -4.244 1.00 10.00 C ATOM 373 C GLY A 27 2.166 8.078 -2.893 1.00 10.00 C ATOM 374 O GLY A 27 2.223 8.752 -1.865 1.00 10.00 O ATOM 0 H GLY A 27 1.762 7.586 -5.876 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.437 8.410 -4.583 1.00 10.00 H new ATOM 0 HA3 GLY A 27 2.453 9.792 -4.142 1.00 10.00 H new ATOM 378 N TRP A 28 1.859 6.787 -2.891 1.00 10.00 N ATOM 379 CA TRP A 28 1.571 6.082 -1.650 1.00 10.00 C ATOM 380 C TRP A 28 2.815 5.371 -1.111 1.00 10.00 C ATOM 381 O TRP A 28 2.988 5.248 0.102 1.00 10.00 O ATOM 382 CB TRP A 28 0.406 5.092 -1.852 1.00 10.00 C ATOM 383 CG TRP A 28 0.753 3.820 -2.579 1.00 10.00 C ATOM 384 CD1 TRP A 28 0.599 3.570 -3.912 1.00 10.00 C ATOM 385 CD2 TRP A 28 1.280 2.615 -2.006 1.00 10.00 C ATOM 386 NE1 TRP A 28 1.001 2.287 -4.202 1.00 10.00 N ATOM 387 CE2 TRP A 28 1.424 1.682 -3.048 1.00 10.00 C ATOM 388 CE3 TRP A 28 1.643 2.235 -0.710 1.00 10.00 C ATOM 389 CZ2 TRP A 28 1.919 0.398 -2.835 1.00 10.00 C ATOM 390 CZ3 TRP A 28 2.138 0.963 -0.503 1.00 10.00 C ATOM 391 CH2 TRP A 28 2.268 0.056 -1.560 1.00 10.00 C ATOM 0 H TRP A 28 1.803 6.210 -3.730 1.00 10.00 H new ATOM 0 HA TRP A 28 1.270 6.817 -0.904 1.00 10.00 H new ATOM 0 HB2 TRP A 28 0.000 4.832 -0.874 1.00 10.00 H new ATOM 0 HB3 TRP A 28 -0.387 5.599 -2.402 1.00 10.00 H new ATOM 0 HD1 TRP A 28 0.217 4.277 -4.634 1.00 10.00 H new ATOM 0 HE1 TRP A 28 0.987 1.856 -5.126 1.00 10.00 H new ATOM 0 HE3 TRP A 28 1.538 2.925 0.115 1.00 10.00 H new ATOM 0 HZ2 TRP A 28 2.023 -0.303 -3.650 1.00 10.00 H new ATOM 0 HZ3 TRP A 28 2.430 0.663 0.493 1.00 10.00 H new ATOM 0 HH2 TRP A 28 2.652 -0.934 -1.364 1.00 10.00 H new ATOM 402 N LEU A 29 3.695 4.947 -2.012 1.00 10.00 N ATOM 403 CA LEU A 29 4.905 4.234 -1.626 1.00 10.00 C ATOM 404 C LEU A 29 5.899 5.183 -0.965 1.00 10.00 C ATOM 405 O LEU A 29 6.563 4.820 0.008 1.00 10.00 O ATOM 406 CB LEU A 29 5.544 3.566 -2.844 1.00 10.00 C ATOM 407 CG LEU A 29 6.662 2.566 -2.533 1.00 10.00 C ATOM 408 CD1 LEU A 29 6.098 1.323 -1.855 1.00 10.00 C ATOM 409 CD2 LEU A 29 7.404 2.186 -3.803 1.00 10.00 C ATOM 0 H LEU A 29 3.591 5.086 -3.017 1.00 10.00 H new ATOM 0 HA LEU A 29 4.632 3.462 -0.907 1.00 10.00 H new ATOM 0 HB2 LEU A 29 4.765 3.051 -3.405 1.00 10.00 H new ATOM 0 HB3 LEU A 29 5.945 4.343 -3.495 1.00 10.00 H new ATOM 0 HG LEU A 29 7.366 3.041 -1.849 1.00 10.00 H new ATOM 0 HD11 LEU A 29 6.908 0.625 -1.642 1.00 10.00 H new ATOM 0 HD12 LEU A 29 5.610 1.607 -0.923 1.00 10.00 H new ATOM 0 HD13 LEU A 29 5.372 0.847 -2.514 1.00 10.00 H new ATOM 0 HD21 LEU A 29 8.195 1.475 -3.564 1.00 10.00 H new ATOM 0 HD22 LEU A 29 6.709 1.731 -4.508 1.00 10.00 H new ATOM 0 HD23 LEU A 29 7.842 3.079 -4.250 1.00 10.00 H new ATOM 421 N THR A 30 5.981 6.403 -1.485 1.00 10.00 N ATOM 422 CA THR A 30 6.879 7.408 -0.938 1.00 10.00 C ATOM 423 C THR A 30 6.481 7.762 0.499 1.00 10.00 C ATOM 424 O THR A 30 7.284 8.296 1.263 1.00 10.00 O ATOM 425 CB THR A 30 6.906 8.679 -1.823 1.00 10.00 C ATOM 426 OG1 THR A 30 8.058 9.477 -1.522 1.00 10.00 O ATOM 427 CG2 THR A 30 5.648 9.518 -1.643 1.00 10.00 C ATOM 0 H THR A 30 5.434 6.718 -2.286 1.00 10.00 H new ATOM 0 HA THR A 30 7.884 6.986 -0.927 1.00 10.00 H new ATOM 0 HB THR A 30 6.952 8.348 -2.860 1.00 10.00 H new ATOM 0 HG1 THR A 30 8.061 10.275 -2.091 1.00 10.00 H new ATOM 0 HG21 THR A 30 5.705 10.400 -2.280 1.00 10.00 H new ATOM 0 HG22 THR A 30 4.774 8.927 -1.918 1.00 10.00 H new ATOM 0 HG23 THR A 30 5.563 9.828 -0.601 1.00 10.00 H new ATOM 435 N ARG A 31 5.239 7.447 0.858 1.00 10.00 N ATOM 436 CA ARG A 31 4.728 7.710 2.198 1.00 10.00 C ATOM 437 C ARG A 31 4.929 6.482 3.081 1.00 10.00 C ATOM 438 O ARG A 31 5.178 6.594 4.284 1.00 10.00 O ATOM 439 CB ARG A 31 3.243 8.077 2.135 1.00 10.00 C ATOM 440 CG ARG A 31 2.952 9.307 1.286 1.00 10.00 C ATOM 441 CD ARG A 31 3.149 10.593 2.073 1.00 10.00 C ATOM 442 NE ARG A 31 2.102 10.786 3.074 1.00 10.00 N ATOM 443 CZ ARG A 31 2.054 11.818 3.918 1.00 10.00 C ATOM 444 NH1 ARG A 31 3.004 12.742 3.905 1.00 10.00 N ATOM 445 NH2 ARG A 31 1.051 11.915 4.778 1.00 10.00 N ATOM 0 H ARG A 31 4.564 7.006 0.233 1.00 10.00 H new ATOM 0 HA ARG A 31 5.277 8.548 2.627 1.00 10.00 H new ATOM 0 HB2 ARG A 31 2.685 7.230 1.735 1.00 10.00 H new ATOM 0 HB3 ARG A 31 2.877 8.250 3.147 1.00 10.00 H new ATOM 0 HG2 ARG A 31 3.606 9.310 0.414 1.00 10.00 H new ATOM 0 HG3 ARG A 31 1.928 9.260 0.916 1.00 10.00 H new ATOM 0 HD2 ARG A 31 4.122 10.572 2.565 1.00 10.00 H new ATOM 0 HD3 ARG A 31 3.156 11.440 1.388 1.00 10.00 H new ATOM 0 HE ARG A 31 1.361 10.087 3.131 1.00 10.00 H new ATOM 0 HH11 ARG A 31 3.779 12.667 3.246 1.00 10.00 H new ATOM 0 HH12 ARG A 31 2.960 13.528 4.554 1.00 10.00 H new ATOM 0 HH21 ARG A 31 0.321 11.203 4.792 1.00 10.00 H new ATOM 0 HH22 ARG A 31 1.009 12.702 5.426 1.00 10.00 H new ATOM 459 N LEU A 32 4.831 5.308 2.467 1.00 10.00 N ATOM 460 CA LEU A 32 4.993 4.040 3.171 1.00 10.00 C ATOM 461 C LEU A 32 6.393 3.918 3.765 1.00 10.00 C ATOM 462 O LEU A 32 6.567 3.420 4.876 1.00 10.00 O ATOM 463 CB LEU A 32 4.725 2.867 2.224 1.00 10.00 C ATOM 464 CG LEU A 32 4.542 1.510 2.908 1.00 10.00 C ATOM 465 CD1 LEU A 32 3.104 1.341 3.375 1.00 10.00 C ATOM 466 CD2 LEU A 32 4.948 0.375 1.975 1.00 10.00 C ATOM 0 H LEU A 32 4.638 5.208 1.471 1.00 10.00 H new ATOM 0 HA LEU A 32 4.270 4.014 3.986 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.830 3.087 1.642 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.553 2.793 1.519 1.00 10.00 H new ATOM 0 HG LEU A 32 5.192 1.474 3.782 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.990 0.371 3.859 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.856 2.132 4.083 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.434 1.399 2.517 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.810 -0.580 2.482 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.329 0.402 1.078 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.996 0.490 1.697 1.00 10.00 H new ATOM 478 N LEU A 33 7.383 4.402 3.026 1.00 10.00 N ATOM 479 CA LEU A 33 8.773 4.351 3.473 1.00 10.00 C ATOM 480 C LEU A 33 9.011 5.293 4.646 1.00 10.00 C ATOM 481 O LEU A 33 10.014 5.192 5.346 1.00 10.00 O ATOM 482 CB LEU A 33 9.710 4.717 2.321 1.00 10.00 C ATOM 483 CG LEU A 33 9.639 3.784 1.114 1.00 10.00 C ATOM 484 CD1 LEU A 33 10.467 4.342 -0.032 1.00 10.00 C ATOM 485 CD2 LEU A 33 10.112 2.386 1.480 1.00 10.00 C ATOM 0 H LEU A 33 7.251 4.836 2.112 1.00 10.00 H new ATOM 0 HA LEU A 33 8.981 3.333 3.803 1.00 10.00 H new ATOM 0 HB2 LEU A 33 9.480 5.731 1.993 1.00 10.00 H new ATOM 0 HB3 LEU A 33 10.734 4.728 2.694 1.00 10.00 H new ATOM 0 HG LEU A 33 8.599 3.716 0.795 1.00 10.00 H new ATOM 0 HD11 LEU A 33 10.408 3.667 -0.886 1.00 10.00 H new ATOM 0 HD12 LEU A 33 10.082 5.321 -0.316 1.00 10.00 H new ATOM 0 HD13 LEU A 33 11.506 4.438 0.283 1.00 10.00 H new ATOM 0 HD21 LEU A 33 10.052 1.741 0.604 1.00 10.00 H new ATOM 0 HD22 LEU A 33 11.144 2.431 1.828 1.00 10.00 H new ATOM 0 HD23 LEU A 33 9.480 1.983 2.271 1.00 10.00 H new ATOM 497 N GLN A 34 8.086 6.215 4.849 1.00 10.00 N ATOM 498 CA GLN A 34 8.198 7.166 5.939 1.00 10.00 C ATOM 499 C GLN A 34 7.441 6.671 7.171 1.00 10.00 C ATOM 500 O GLN A 34 7.658 7.157 8.282 1.00 10.00 O ATOM 501 CB GLN A 34 7.662 8.535 5.510 1.00 10.00 C ATOM 502 CG GLN A 34 8.297 9.078 4.238 1.00 10.00 C ATOM 503 CD GLN A 34 9.811 9.149 4.310 1.00 10.00 C ATOM 504 OE1 GLN A 34 10.389 9.390 5.370 1.00 10.00 O ATOM 505 NE2 GLN A 34 10.459 8.934 3.179 1.00 10.00 N ATOM 0 H GLN A 34 7.251 6.325 4.274 1.00 10.00 H new ATOM 0 HA GLN A 34 9.253 7.264 6.197 1.00 10.00 H new ATOM 0 HB2 GLN A 34 6.584 8.462 5.363 1.00 10.00 H new ATOM 0 HB3 GLN A 34 7.826 9.247 6.318 1.00 10.00 H new ATOM 0 HG2 GLN A 34 8.009 8.447 3.397 1.00 10.00 H new ATOM 0 HG3 GLN A 34 7.902 10.074 4.039 1.00 10.00 H new ATOM 0 HE21 GLN A 34 9.940 8.738 2.323 1.00 10.00 H new ATOM 0 HE22 GLN A 34 11.478 8.964 3.162 1.00 10.00 H new ATOM 514 N THR A 35 6.540 5.716 6.957 1.00 10.00 N ATOM 515 CA THR A 35 5.739 5.161 8.042 1.00 10.00 C ATOM 516 C THR A 35 6.274 3.809 8.520 1.00 10.00 C ATOM 517 O THR A 35 6.287 3.528 9.717 1.00 10.00 O ATOM 518 CB THR A 35 4.263 5.010 7.618 1.00 10.00 C ATOM 519 OG1 THR A 35 4.176 4.809 6.200 1.00 10.00 O ATOM 520 CG2 THR A 35 3.463 6.244 8.011 1.00 10.00 C ATOM 0 H THR A 35 6.347 5.311 6.041 1.00 10.00 H new ATOM 0 HA THR A 35 5.807 5.866 8.871 1.00 10.00 H new ATOM 0 HB THR A 35 3.846 4.144 8.131 1.00 10.00 H new ATOM 0 HG1 THR A 35 4.461 5.624 5.736 1.00 10.00 H new ATOM 0 HG21 THR A 35 2.425 6.118 7.703 1.00 10.00 H new ATOM 0 HG22 THR A 35 3.507 6.377 9.092 1.00 10.00 H new ATOM 0 HG23 THR A 35 3.883 7.122 7.520 1.00 10.00 H new ATOM 528 N LYS A 36 6.707 2.974 7.587 1.00 10.00 N ATOM 529 CA LYS A 36 7.230 1.656 7.933 1.00 10.00 C ATOM 530 C LYS A 36 8.743 1.589 7.717 1.00 10.00 C ATOM 531 O LYS A 36 9.323 0.502 7.665 1.00 10.00 O ATOM 532 CB LYS A 36 6.517 0.577 7.116 1.00 10.00 C ATOM 533 CG LYS A 36 5.032 0.480 7.429 1.00 10.00 C ATOM 534 CD LYS A 36 4.335 -0.555 6.563 1.00 10.00 C ATOM 535 CE LYS A 36 2.891 -0.775 6.999 1.00 10.00 C ATOM 536 NZ LYS A 36 2.042 0.435 6.786 1.00 10.00 N ATOM 0 H LYS A 36 6.708 3.182 6.588 1.00 10.00 H new ATOM 0 HA LYS A 36 7.039 1.478 8.991 1.00 10.00 H new ATOM 0 HB2 LYS A 36 6.646 0.788 6.054 1.00 10.00 H new ATOM 0 HB3 LYS A 36 6.987 -0.387 7.309 1.00 10.00 H new ATOM 0 HG2 LYS A 36 4.899 0.223 8.480 1.00 10.00 H new ATOM 0 HG3 LYS A 36 4.565 1.453 7.278 1.00 10.00 H new ATOM 0 HD2 LYS A 36 4.356 -0.232 5.522 1.00 10.00 H new ATOM 0 HD3 LYS A 36 4.879 -1.498 6.615 1.00 10.00 H new ATOM 0 HE2 LYS A 36 2.470 -1.613 6.444 1.00 10.00 H new ATOM 0 HE3 LYS A 36 2.870 -1.049 8.054 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 1.107 0.146 6.434 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 1.931 0.944 7.686 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 2.496 1.059 6.089 1.00 10.00 H new ATOM 550 N ASN A 37 9.364 2.766 7.605 1.00 10.00 N ATOM 551 CA ASN A 37 10.815 2.897 7.402 1.00 10.00 C ATOM 552 C ASN A 37 11.236 2.402 6.015 1.00 10.00 C ATOM 553 O ASN A 37 10.423 1.882 5.251 1.00 10.00 O ATOM 554 CB ASN A 37 11.597 2.161 8.510 1.00 10.00 C ATOM 555 CG ASN A 37 13.016 2.685 8.688 1.00 10.00 C ATOM 556 OD1 ASN A 37 13.365 3.761 8.197 1.00 10.00 O ATOM 557 ND2 ASN A 37 13.841 1.933 9.400 1.00 10.00 N ATOM 0 H ASN A 37 8.876 3.660 7.652 1.00 10.00 H new ATOM 0 HA ASN A 37 11.059 3.958 7.461 1.00 10.00 H new ATOM 0 HB2 ASN A 37 11.059 2.259 9.453 1.00 10.00 H new ATOM 0 HB3 ASN A 37 11.636 1.098 8.274 1.00 10.00 H new ATOM 0 HD21 ASN A 37 14.801 2.238 9.558 1.00 10.00 H new ATOM 0 HD22 ASN A 37 13.516 1.048 9.791 1.00 10.00 H new ATOM 564 N TYR A 38 12.515 2.568 5.695 1.00 10.00 N ATOM 565 CA TYR A 38 13.051 2.166 4.398 1.00 10.00 C ATOM 566 C TYR A 38 13.477 0.702 4.394 1.00 10.00 C ATOM 567 O TYR A 38 14.358 0.312 3.625 1.00 10.00 O ATOM 568 CB TYR A 38 14.264 3.025 4.035 1.00 10.00 C ATOM 569 CG TYR A 38 13.971 4.499 3.897 1.00 10.00 C ATOM 570 CD1 TYR A 38 13.569 5.033 2.681 1.00 10.00 C ATOM 571 CD2 TYR A 38 14.113 5.361 4.977 1.00 10.00 C ATOM 572 CE1 TYR A 38 13.321 6.386 2.546 1.00 10.00 C ATOM 573 CE2 TYR A 38 13.863 6.712 4.851 1.00 10.00 C ATOM 574 CZ TYR A 38 13.468 7.219 3.632 1.00 10.00 C ATOM 575 OH TYR A 38 13.230 8.567 3.498 1.00 10.00 O ATOM 0 H TYR A 38 13.205 2.982 6.322 1.00 10.00 H new ATOM 0 HA TYR A 38 12.255 2.305 3.666 1.00 10.00 H new ATOM 0 HB2 TYR A 38 15.030 2.890 4.799 1.00 10.00 H new ATOM 0 HB3 TYR A 38 14.682 2.662 3.096 1.00 10.00 H new ATOM 0 HD1 TYR A 38 13.448 4.382 1.828 1.00 10.00 H new ATOM 0 HD2 TYR A 38 14.425 4.966 5.933 1.00 10.00 H new ATOM 0 HE1 TYR A 38 13.013 6.788 1.592 1.00 10.00 H new ATOM 0 HE2 TYR A 38 13.976 7.368 5.702 1.00 10.00 H new ATOM 0 HH TYR A 38 13.378 9.012 4.358 1.00 10.00 H new ATOM 585 N ASP A 39 12.865 -0.108 5.244 1.00 10.00 N ATOM 586 CA ASP A 39 13.217 -1.523 5.309 1.00 10.00 C ATOM 587 C ASP A 39 12.591 -2.280 4.148 1.00 10.00 C ATOM 588 O ASP A 39 11.372 -2.461 4.090 1.00 10.00 O ATOM 589 CB ASP A 39 12.786 -2.149 6.638 1.00 10.00 C ATOM 590 CG ASP A 39 13.380 -3.532 6.831 1.00 10.00 C ATOM 591 OD1 ASP A 39 14.594 -3.629 7.114 1.00 10.00 O ATOM 592 OD2 ASP A 39 12.649 -4.530 6.686 1.00 10.00 O ATOM 0 H ASP A 39 12.132 0.182 5.891 1.00 10.00 H new ATOM 0 HA ASP A 39 14.302 -1.596 5.239 1.00 10.00 H new ATOM 0 HB2 ASP A 39 13.094 -1.503 7.460 1.00 10.00 H new ATOM 0 HB3 ASP A 39 11.698 -2.213 6.673 1.00 10.00 H new ATOM 597 N ILE A 40 13.438 -2.715 3.227 1.00 10.00 N ATOM 598 CA ILE A 40 12.996 -3.444 2.046 1.00 10.00 C ATOM 599 C ILE A 40 12.251 -4.718 2.433 1.00 10.00 C ATOM 600 O ILE A 40 11.215 -5.043 1.850 1.00 10.00 O ATOM 601 CB ILE A 40 14.188 -3.806 1.135 1.00 10.00 C ATOM 602 CG1 ILE A 40 14.987 -2.548 0.779 1.00 10.00 C ATOM 603 CG2 ILE A 40 13.699 -4.502 -0.127 1.00 10.00 C ATOM 604 CD1 ILE A 40 16.270 -2.835 0.025 1.00 10.00 C ATOM 0 H ILE A 40 14.447 -2.574 3.276 1.00 10.00 H new ATOM 0 HA ILE A 40 12.319 -2.788 1.499 1.00 10.00 H new ATOM 0 HB ILE A 40 14.843 -4.491 1.674 1.00 10.00 H new ATOM 0 HG12 ILE A 40 14.361 -1.889 0.177 1.00 10.00 H new ATOM 0 HG13 ILE A 40 15.227 -2.009 1.696 1.00 10.00 H new ATOM 0 HG21 ILE A 40 14.552 -4.751 -0.759 1.00 10.00 H new ATOM 0 HG22 ILE A 40 13.169 -5.415 0.143 1.00 10.00 H new ATOM 0 HG23 ILE A 40 13.026 -3.839 -0.670 1.00 10.00 H new ATOM 0 HD11 ILE A 40 16.782 -1.897 -0.193 1.00 10.00 H new ATOM 0 HD12 ILE A 40 16.916 -3.468 0.633 1.00 10.00 H new ATOM 0 HD13 ILE A 40 16.037 -3.346 -0.909 1.00 10.00 H new ATOM 616 N GLY A 41 12.770 -5.428 3.427 1.00 10.00 N ATOM 617 CA GLY A 41 12.141 -6.661 3.868 1.00 10.00 C ATOM 618 C GLY A 41 10.721 -6.449 4.357 1.00 10.00 C ATOM 619 O GLY A 41 9.804 -7.162 3.943 1.00 10.00 O ATOM 0 H GLY A 41 13.616 -5.173 3.937 1.00 10.00 H new ATOM 0 HA2 GLY A 41 12.135 -7.376 3.045 1.00 10.00 H new ATOM 0 HA3 GLY A 41 12.735 -7.101 4.669 1.00 10.00 H new ATOM 623 N ALA A 42 10.542 -5.476 5.241 1.00 10.00 N ATOM 624 CA ALA A 42 9.230 -5.166 5.789 1.00 10.00 C ATOM 625 C ALA A 42 8.279 -4.676 4.702 1.00 10.00 C ATOM 626 O ALA A 42 7.141 -5.134 4.611 1.00 10.00 O ATOM 627 CB ALA A 42 9.346 -4.132 6.897 1.00 10.00 C ATOM 0 H ALA A 42 11.295 -4.885 5.595 1.00 10.00 H new ATOM 0 HA ALA A 42 8.818 -6.084 6.208 1.00 10.00 H new ATOM 0 HB1 ALA A 42 8.355 -3.912 7.295 1.00 10.00 H new ATOM 0 HB2 ALA A 42 9.979 -4.522 7.694 1.00 10.00 H new ATOM 0 HB3 ALA A 42 9.787 -3.219 6.498 1.00 10.00 H new ATOM 633 N ALA A 43 8.761 -3.758 3.868 1.00 10.00 N ATOM 634 CA ALA A 43 7.953 -3.200 2.790 1.00 10.00 C ATOM 635 C ALA A 43 7.500 -4.284 1.814 1.00 10.00 C ATOM 636 O ALA A 43 6.345 -4.302 1.386 1.00 10.00 O ATOM 637 CB ALA A 43 8.728 -2.115 2.055 1.00 10.00 C ATOM 0 H ALA A 43 9.709 -3.385 3.919 1.00 10.00 H new ATOM 0 HA ALA A 43 7.061 -2.758 3.235 1.00 10.00 H new ATOM 0 HB1 ALA A 43 8.112 -1.708 1.253 1.00 10.00 H new ATOM 0 HB2 ALA A 43 8.989 -1.319 2.752 1.00 10.00 H new ATOM 0 HB3 ALA A 43 9.638 -2.541 1.633 1.00 10.00 H new ATOM 643 N LEU A 44 8.404 -5.197 1.488 1.00 10.00 N ATOM 644 CA LEU A 44 8.101 -6.279 0.556 1.00 10.00 C ATOM 645 C LEU A 44 7.150 -7.297 1.186 1.00 10.00 C ATOM 646 O LEU A 44 6.374 -7.952 0.489 1.00 10.00 O ATOM 647 CB LEU A 44 9.394 -6.972 0.128 1.00 10.00 C ATOM 648 CG LEU A 44 9.389 -7.547 -1.286 1.00 10.00 C ATOM 649 CD1 LEU A 44 9.310 -6.439 -2.321 1.00 10.00 C ATOM 650 CD2 LEU A 44 10.627 -8.401 -1.514 1.00 10.00 C ATOM 0 H LEU A 44 9.356 -5.212 1.855 1.00 10.00 H new ATOM 0 HA LEU A 44 7.611 -5.850 -0.318 1.00 10.00 H new ATOM 0 HB2 LEU A 44 10.214 -6.258 0.209 1.00 10.00 H new ATOM 0 HB3 LEU A 44 9.604 -7.779 0.830 1.00 10.00 H new ATOM 0 HG LEU A 44 8.506 -8.176 -1.395 1.00 10.00 H new ATOM 0 HD11 LEU A 44 9.308 -6.874 -3.320 1.00 10.00 H new ATOM 0 HD12 LEU A 44 8.394 -5.867 -2.172 1.00 10.00 H new ATOM 0 HD13 LEU A 44 10.171 -5.779 -2.214 1.00 10.00 H new ATOM 0 HD21 LEU A 44 10.609 -8.804 -2.527 1.00 10.00 H new ATOM 0 HD22 LEU A 44 11.520 -7.790 -1.382 1.00 10.00 H new ATOM 0 HD23 LEU A 44 10.640 -9.222 -0.797 1.00 10.00 H new ATOM 662 N ASP A 45 7.215 -7.426 2.505 1.00 10.00 N ATOM 663 CA ASP A 45 6.361 -8.362 3.232 1.00 10.00 C ATOM 664 C ASP A 45 4.975 -7.765 3.471 1.00 10.00 C ATOM 665 O ASP A 45 4.002 -8.490 3.692 1.00 10.00 O ATOM 666 CB ASP A 45 7.006 -8.722 4.572 1.00 10.00 C ATOM 667 CG ASP A 45 6.224 -9.770 5.337 1.00 10.00 C ATOM 668 OD1 ASP A 45 6.382 -10.972 5.043 1.00 10.00 O ATOM 669 OD2 ASP A 45 5.457 -9.399 6.250 1.00 10.00 O ATOM 0 H ASP A 45 7.852 -6.893 3.097 1.00 10.00 H new ATOM 0 HA ASP A 45 6.249 -9.262 2.628 1.00 10.00 H new ATOM 0 HB2 ASP A 45 8.018 -9.087 4.397 1.00 10.00 H new ATOM 0 HB3 ASP A 45 7.092 -7.823 5.182 1.00 10.00 H new ATOM 674 N THR A 46 4.894 -6.440 3.388 1.00 10.00 N ATOM 675 CA THR A 46 3.646 -5.713 3.608 1.00 10.00 C ATOM 676 C THR A 46 2.533 -6.185 2.671 1.00 10.00 C ATOM 677 O THR A 46 1.369 -6.264 3.069 1.00 10.00 O ATOM 678 CB THR A 46 3.865 -4.191 3.433 1.00 10.00 C ATOM 679 OG1 THR A 46 4.870 -3.729 4.348 1.00 10.00 O ATOM 680 CG2 THR A 46 2.573 -3.417 3.657 1.00 10.00 C ATOM 0 H THR A 46 5.689 -5.841 3.167 1.00 10.00 H new ATOM 0 HA THR A 46 3.333 -5.920 4.631 1.00 10.00 H new ATOM 0 HB THR A 46 4.196 -4.016 2.409 1.00 10.00 H new ATOM 0 HG1 THR A 46 5.682 -4.268 4.242 1.00 10.00 H new ATOM 0 HG21 THR A 46 2.760 -2.351 3.527 1.00 10.00 H new ATOM 0 HG22 THR A 46 1.823 -3.744 2.937 1.00 10.00 H new ATOM 0 HG23 THR A 46 2.209 -3.601 4.668 1.00 10.00 H new ATOM 688 N ILE A 47 2.890 -6.530 1.440 1.00 10.00 N ATOM 689 CA ILE A 47 1.900 -6.972 0.466 1.00 10.00 C ATOM 690 C ILE A 47 2.039 -8.454 0.126 1.00 10.00 C ATOM 691 O ILE A 47 1.446 -8.928 -0.842 1.00 10.00 O ATOM 692 CB ILE A 47 1.946 -6.130 -0.834 1.00 10.00 C ATOM 693 CG1 ILE A 47 3.267 -6.340 -1.605 1.00 10.00 C ATOM 694 CG2 ILE A 47 1.724 -4.651 -0.518 1.00 10.00 C ATOM 695 CD1 ILE A 47 4.439 -5.520 -1.100 1.00 10.00 C ATOM 0 H ILE A 47 3.850 -6.513 1.094 1.00 10.00 H new ATOM 0 HA ILE A 47 0.931 -6.822 0.942 1.00 10.00 H new ATOM 0 HB ILE A 47 1.139 -6.472 -1.482 1.00 10.00 H new ATOM 0 HG12 ILE A 47 3.534 -7.396 -1.558 1.00 10.00 H new ATOM 0 HG13 ILE A 47 3.100 -6.100 -2.655 1.00 10.00 H new ATOM 0 HG21 ILE A 47 1.759 -4.072 -1.441 1.00 10.00 H new ATOM 0 HG22 ILE A 47 0.750 -4.522 -0.046 1.00 10.00 H new ATOM 0 HG23 ILE A 47 2.504 -4.302 0.159 1.00 10.00 H new ATOM 0 HD11 ILE A 47 5.321 -5.735 -1.704 1.00 10.00 H new ATOM 0 HD12 ILE A 47 4.199 -4.459 -1.173 1.00 10.00 H new ATOM 0 HD13 ILE A 47 4.640 -5.775 -0.060 1.00 10.00 H new ATOM 707 N GLN A 48 2.828 -9.174 0.927 1.00 10.00 N ATOM 708 CA GLN A 48 3.051 -10.620 0.753 1.00 10.00 C ATOM 709 C GLN A 48 3.871 -10.970 -0.494 1.00 10.00 C ATOM 710 O GLN A 48 4.572 -11.981 -0.504 1.00 10.00 O ATOM 711 CB GLN A 48 1.721 -11.377 0.706 1.00 10.00 C ATOM 712 CG GLN A 48 1.433 -12.192 1.957 1.00 10.00 C ATOM 713 CD GLN A 48 2.575 -13.119 2.335 1.00 10.00 C ATOM 714 OE1 GLN A 48 2.654 -14.249 1.858 1.00 10.00 O ATOM 715 NE2 GLN A 48 3.451 -12.654 3.211 1.00 10.00 N ATOM 0 H GLN A 48 3.333 -8.774 1.718 1.00 10.00 H new ATOM 0 HA GLN A 48 3.632 -10.930 1.622 1.00 10.00 H new ATOM 0 HB2 GLN A 48 0.912 -10.662 0.555 1.00 10.00 H new ATOM 0 HB3 GLN A 48 1.723 -12.043 -0.157 1.00 10.00 H new ATOM 0 HG2 GLN A 48 1.232 -11.515 2.787 1.00 10.00 H new ATOM 0 HG3 GLN A 48 0.530 -12.782 1.800 1.00 10.00 H new ATOM 0 HE21 GLN A 48 3.349 -11.710 3.582 1.00 10.00 H new ATOM 0 HE22 GLN A 48 4.229 -13.240 3.515 1.00 10.00 H new ATOM 724 N TYR A 49 3.769 -10.161 -1.543 1.00 10.00 N ATOM 725 CA TYR A 49 4.502 -10.408 -2.781 1.00 10.00 C ATOM 726 C TYR A 49 5.996 -10.155 -2.594 1.00 10.00 C ATOM 727 O TYR A 49 6.529 -9.137 -3.035 1.00 10.00 O ATOM 728 CB TYR A 49 3.953 -9.534 -3.913 1.00 10.00 C ATOM 729 CG TYR A 49 2.490 -9.769 -4.209 1.00 10.00 C ATOM 730 CD1 TYR A 49 2.059 -10.979 -4.734 1.00 10.00 C ATOM 731 CD2 TYR A 49 1.544 -8.780 -3.973 1.00 10.00 C ATOM 732 CE1 TYR A 49 0.725 -11.198 -5.011 1.00 10.00 C ATOM 733 CE2 TYR A 49 0.207 -8.994 -4.246 1.00 10.00 C ATOM 734 CZ TYR A 49 -0.196 -10.202 -4.767 1.00 10.00 C ATOM 735 OH TYR A 49 -1.526 -10.417 -5.036 1.00 10.00 O ATOM 0 H TYR A 49 3.184 -9.326 -1.561 1.00 10.00 H new ATOM 0 HA TYR A 49 4.365 -11.456 -3.049 1.00 10.00 H new ATOM 0 HB2 TYR A 49 4.098 -8.485 -3.653 1.00 10.00 H new ATOM 0 HB3 TYR A 49 4.532 -9.721 -4.817 1.00 10.00 H new ATOM 0 HD1 TYR A 49 2.778 -11.761 -4.929 1.00 10.00 H new ATOM 0 HD2 TYR A 49 1.859 -7.829 -3.570 1.00 10.00 H new ATOM 0 HE1 TYR A 49 0.404 -12.146 -5.417 1.00 10.00 H new ATOM 0 HE2 TYR A 49 -0.518 -8.217 -4.052 1.00 10.00 H new ATOM 0 HH TYR A 49 -2.063 -9.717 -4.610 1.00 10.00 H new ATOM 745 N SER A 50 6.655 -11.084 -1.915 1.00 10.00 N ATOM 746 CA SER A 50 8.082 -10.986 -1.661 1.00 10.00 C ATOM 747 C SER A 50 8.859 -11.931 -2.572 1.00 10.00 C ATOM 748 O SER A 50 10.089 -11.961 -2.546 1.00 10.00 O ATOM 749 CB SER A 50 8.380 -11.314 -0.193 1.00 10.00 C ATOM 750 OG SER A 50 7.443 -10.697 0.677 1.00 10.00 O ATOM 0 H SER A 50 6.218 -11.920 -1.528 1.00 10.00 H new ATOM 0 HA SER A 50 8.398 -9.964 -1.871 1.00 10.00 H new ATOM 0 HB2 SER A 50 8.357 -12.394 -0.048 1.00 10.00 H new ATOM 0 HB3 SER A 50 9.387 -10.980 0.059 1.00 10.00 H new ATOM 0 HG SER A 50 7.234 -9.798 0.348 1.00 10.00 H new ATOM 756 N LYS A 51 8.134 -12.704 -3.376 1.00 10.00 N ATOM 757 CA LYS A 51 8.759 -13.655 -4.286 1.00 10.00 C ATOM 758 C LYS A 51 8.355 -13.380 -5.732 1.00 10.00 C ATOM 759 O LYS A 51 9.199 -13.073 -6.574 1.00 10.00 O ATOM 760 CB LYS A 51 8.392 -15.091 -3.898 1.00 10.00 C ATOM 761 CG LYS A 51 8.831 -15.472 -2.492 1.00 10.00 C ATOM 762 CD LYS A 51 8.632 -16.956 -2.230 1.00 10.00 C ATOM 763 CE LYS A 51 9.726 -17.791 -2.880 1.00 10.00 C ATOM 764 NZ LYS A 51 9.248 -19.151 -3.258 1.00 10.00 N ATOM 0 H LYS A 51 7.115 -12.689 -3.415 1.00 10.00 H new ATOM 0 HA LYS A 51 9.839 -13.534 -4.205 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.312 -15.216 -3.979 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.847 -15.779 -4.611 1.00 10.00 H new ATOM 0 HG2 LYS A 51 9.881 -15.215 -2.355 1.00 10.00 H new ATOM 0 HG3 LYS A 51 8.264 -14.893 -1.763 1.00 10.00 H new ATOM 0 HD2 LYS A 51 8.624 -17.139 -1.155 1.00 10.00 H new ATOM 0 HD3 LYS A 51 7.660 -17.267 -2.613 1.00 10.00 H new ATOM 0 HE2 LYS A 51 10.093 -17.277 -3.768 1.00 10.00 H new ATOM 0 HE3 LYS A 51 10.568 -17.882 -2.193 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 10.026 -19.683 -3.697 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 8.922 -19.653 -2.408 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 8.462 -19.067 -3.934 1.00 10.00 H new ATOM 778 N HIS A 52 7.067 -13.495 -6.013 1.00 10.00 N ATOM 779 CA HIS A 52 6.549 -13.257 -7.349 1.00 10.00 C ATOM 780 C HIS A 52 5.113 -12.764 -7.258 1.00 10.00 C ATOM 781 O HIS A 52 4.604 -12.211 -8.257 1.00 10.00 O ATOM 782 CB HIS A 52 6.611 -14.535 -8.192 1.00 10.00 C ATOM 783 CG HIS A 52 6.709 -14.280 -9.670 1.00 10.00 C ATOM 784 ND1 HIS A 52 5.880 -13.407 -10.346 1.00 10.00 N ATOM 785 CD2 HIS A 52 7.550 -14.791 -10.600 1.00 10.00 C ATOM 786 CE1 HIS A 52 6.211 -13.391 -11.626 1.00 10.00 C ATOM 787 NE2 HIS A 52 7.219 -14.221 -11.807 1.00 10.00 N ATOM 788 OXT HIS A 52 4.503 -12.937 -6.185 1.00 10.00 O ATOM 0 H HIS A 52 6.357 -13.754 -5.328 1.00 10.00 H new ATOM 0 HA HIS A 52 7.165 -12.499 -7.832 1.00 10.00 H new ATOM 0 HB2 HIS A 52 7.471 -15.126 -7.877 1.00 10.00 H new ATOM 0 HB3 HIS A 52 5.722 -15.134 -7.994 1.00 10.00 H new ATOM 0 HD1 HIS A 52 5.130 -12.860 -9.924 1.00 10.00 H new ATOM 0 HD2 HIS A 52 8.335 -15.512 -10.426 1.00 10.00 H new ATOM 0 HE1 HIS A 52 5.736 -12.798 -12.394 1.00 10.00 H new TER 797 HIS A 52 ATOM 798 N GLY B 1 -17.691 18.967 2.846 1.00 10.00 N ATOM 799 CA GLY B 1 -18.787 18.236 3.522 1.00 10.00 C ATOM 800 C GLY B 1 -19.309 17.104 2.666 1.00 10.00 C ATOM 801 O GLY B 1 -18.705 16.763 1.648 1.00 10.00 O ATOM 0 H1 GLY B 1 -16.838 18.940 3.440 1.00 10.00 H new ATOM 0 H2 GLY B 1 -17.489 18.520 1.929 1.00 10.00 H new ATOM 0 H3 GLY B 1 -17.975 19.956 2.693 1.00 10.00 H new ATOM 0 HA2 GLY B 1 -18.429 17.840 4.472 1.00 10.00 H new ATOM 0 HA3 GLY B 1 -19.600 18.926 3.750 1.00 10.00 H new ATOM 807 N SER B 2 -20.429 16.526 3.067 1.00 10.00 N ATOM 808 CA SER B 2 -21.035 15.431 2.327 1.00 10.00 C ATOM 809 C SER B 2 -22.299 15.923 1.628 1.00 10.00 C ATOM 810 O SER B 2 -23.356 16.024 2.251 1.00 10.00 O ATOM 811 CB SER B 2 -21.369 14.276 3.277 1.00 10.00 C ATOM 812 OG SER B 2 -20.489 14.266 4.390 1.00 10.00 O ATOM 0 H SER B 2 -20.940 16.799 3.906 1.00 10.00 H new ATOM 0 HA SER B 2 -20.331 15.071 1.577 1.00 10.00 H new ATOM 0 HB2 SER B 2 -22.398 14.370 3.623 1.00 10.00 H new ATOM 0 HB3 SER B 2 -21.298 13.328 2.743 1.00 10.00 H new ATOM 0 HG SER B 2 -20.721 13.522 4.984 1.00 10.00 H new ATOM 818 N PRO B 3 -22.203 16.258 0.330 1.00 10.00 N ATOM 819 CA PRO B 3 -23.343 16.745 -0.439 1.00 10.00 C ATOM 820 C PRO B 3 -24.274 15.614 -0.879 1.00 10.00 C ATOM 821 O PRO B 3 -23.832 14.483 -1.093 1.00 10.00 O ATOM 822 CB PRO B 3 -22.683 17.406 -1.649 1.00 10.00 C ATOM 823 CG PRO B 3 -21.416 16.648 -1.849 1.00 10.00 C ATOM 824 CD PRO B 3 -20.973 16.187 -0.485 1.00 10.00 C ATOM 0 HA PRO B 3 -23.977 17.417 0.140 1.00 10.00 H new ATOM 0 HB2 PRO B 3 -23.322 17.348 -2.530 1.00 10.00 H new ATOM 0 HB3 PRO B 3 -22.488 18.463 -1.466 1.00 10.00 H new ATOM 0 HG2 PRO B 3 -21.573 15.798 -2.513 1.00 10.00 H new ATOM 0 HG3 PRO B 3 -20.656 17.278 -2.311 1.00 10.00 H new ATOM 0 HD2 PRO B 3 -20.572 15.174 -0.516 1.00 10.00 H new ATOM 0 HD3 PRO B 3 -20.189 16.828 -0.082 1.00 10.00 H new ATOM 832 N PRO B 4 -25.576 15.914 -1.040 1.00 10.00 N ATOM 833 CA PRO B 4 -26.579 14.919 -1.456 1.00 10.00 C ATOM 834 C PRO B 4 -26.367 14.453 -2.894 1.00 10.00 C ATOM 835 O PRO B 4 -27.049 13.549 -3.376 1.00 10.00 O ATOM 836 CB PRO B 4 -27.905 15.670 -1.325 1.00 10.00 C ATOM 837 CG PRO B 4 -27.541 17.107 -1.445 1.00 10.00 C ATOM 838 CD PRO B 4 -26.179 17.243 -0.826 1.00 10.00 C ATOM 0 HA PRO B 4 -26.530 14.013 -0.852 1.00 10.00 H new ATOM 0 HB2 PRO B 4 -28.606 15.373 -2.105 1.00 10.00 H new ATOM 0 HB3 PRO B 4 -28.385 15.462 -0.369 1.00 10.00 H new ATOM 0 HG2 PRO B 4 -27.528 17.420 -2.489 1.00 10.00 H new ATOM 0 HG3 PRO B 4 -28.267 17.737 -0.932 1.00 10.00 H new ATOM 0 HD2 PRO B 4 -25.597 18.031 -1.304 1.00 10.00 H new ATOM 0 HD3 PRO B 4 -26.241 17.491 0.234 1.00 10.00 H new ATOM 846 N GLU B 5 -25.418 15.085 -3.574 1.00 10.00 N ATOM 847 CA GLU B 5 -25.097 14.739 -4.950 1.00 10.00 C ATOM 848 C GLU B 5 -24.306 13.439 -4.986 1.00 10.00 C ATOM 849 O GLU B 5 -24.275 12.734 -6.001 1.00 10.00 O ATOM 850 CB GLU B 5 -24.287 15.864 -5.599 1.00 10.00 C ATOM 851 CG GLU B 5 -24.894 17.246 -5.414 1.00 10.00 C ATOM 852 CD GLU B 5 -26.354 17.304 -5.822 1.00 10.00 C ATOM 853 OE1 GLU B 5 -26.701 16.740 -6.880 1.00 10.00 O ATOM 854 OE2 GLU B 5 -27.160 17.911 -5.085 1.00 10.00 O ATOM 0 H GLU B 5 -24.855 15.844 -3.190 1.00 10.00 H new ATOM 0 HA GLU B 5 -26.024 14.606 -5.508 1.00 10.00 H new ATOM 0 HB2 GLU B 5 -23.280 15.861 -5.181 1.00 10.00 H new ATOM 0 HB3 GLU B 5 -24.190 15.660 -6.665 1.00 10.00 H new ATOM 0 HG2 GLU B 5 -24.801 17.542 -4.369 1.00 10.00 H new ATOM 0 HG3 GLU B 5 -24.328 17.969 -6.002 1.00 10.00 H new ATOM 861 N ALA B 6 -23.670 13.127 -3.867 1.00 10.00 N ATOM 862 CA ALA B 6 -22.883 11.915 -3.752 1.00 10.00 C ATOM 863 C ALA B 6 -23.759 10.764 -3.276 1.00 10.00 C ATOM 864 O ALA B 6 -24.751 10.977 -2.575 1.00 10.00 O ATOM 865 CB ALA B 6 -21.720 12.129 -2.794 1.00 10.00 C ATOM 0 H ALA B 6 -23.686 13.701 -3.024 1.00 10.00 H new ATOM 0 HA ALA B 6 -22.480 11.664 -4.733 1.00 10.00 H new ATOM 0 HB1 ALA B 6 -21.138 11.211 -2.718 1.00 10.00 H new ATOM 0 HB2 ALA B 6 -21.084 12.932 -3.167 1.00 10.00 H new ATOM 0 HB3 ALA B 6 -22.104 12.398 -1.810 1.00 10.00 H new ATOM 871 N ASP B 7 -23.391 9.550 -3.657 1.00 10.00 N ATOM 872 CA ASP B 7 -24.150 8.373 -3.269 1.00 10.00 C ATOM 873 C ASP B 7 -23.778 7.936 -1.852 1.00 10.00 C ATOM 874 O ASP B 7 -22.594 7.813 -1.524 1.00 10.00 O ATOM 875 CB ASP B 7 -23.906 7.234 -4.259 1.00 10.00 C ATOM 876 CG ASP B 7 -24.858 6.082 -4.044 1.00 10.00 C ATOM 877 OD1 ASP B 7 -24.572 5.223 -3.189 1.00 10.00 O ATOM 878 OD2 ASP B 7 -25.906 6.042 -4.719 1.00 10.00 O ATOM 0 H ASP B 7 -22.572 9.355 -4.234 1.00 10.00 H new ATOM 0 HA ASP B 7 -25.210 8.626 -3.283 1.00 10.00 H new ATOM 0 HB2 ASP B 7 -24.015 7.609 -5.277 1.00 10.00 H new ATOM 0 HB3 ASP B 7 -22.880 6.880 -4.158 1.00 10.00 H new ATOM 883 N PRO B 8 -24.792 7.689 -0.997 1.00 10.00 N ATOM 884 CA PRO B 8 -24.585 7.280 0.400 1.00 10.00 C ATOM 885 C PRO B 8 -23.913 5.920 0.533 1.00 10.00 C ATOM 886 O PRO B 8 -23.360 5.597 1.583 1.00 10.00 O ATOM 887 CB PRO B 8 -26.005 7.222 0.976 1.00 10.00 C ATOM 888 CG PRO B 8 -26.888 7.042 -0.208 1.00 10.00 C ATOM 889 CD PRO B 8 -26.226 7.793 -1.328 1.00 10.00 C ATOM 0 HA PRO B 8 -23.921 7.973 0.917 1.00 10.00 H new ATOM 0 HB2 PRO B 8 -26.113 6.396 1.679 1.00 10.00 H new ATOM 0 HB3 PRO B 8 -26.250 8.136 1.517 1.00 10.00 H new ATOM 0 HG2 PRO B 8 -26.999 5.987 -0.456 1.00 10.00 H new ATOM 0 HG3 PRO B 8 -27.888 7.431 -0.013 1.00 10.00 H new ATOM 0 HD2 PRO B 8 -26.449 7.349 -2.298 1.00 10.00 H new ATOM 0 HD3 PRO B 8 -26.556 8.831 -1.368 1.00 10.00 H new ATOM 897 N ARG B 9 -23.978 5.120 -0.522 1.00 10.00 N ATOM 898 CA ARG B 9 -23.365 3.803 -0.514 1.00 10.00 C ATOM 899 C ARG B 9 -21.960 3.878 -1.098 1.00 10.00 C ATOM 900 O ARG B 9 -21.043 3.217 -0.619 1.00 10.00 O ATOM 901 CB ARG B 9 -24.221 2.811 -1.307 1.00 10.00 C ATOM 902 CG ARG B 9 -25.629 2.664 -0.762 1.00 10.00 C ATOM 903 CD ARG B 9 -26.634 2.414 -1.871 1.00 10.00 C ATOM 904 NE ARG B 9 -26.856 3.605 -2.682 1.00 10.00 N ATOM 905 CZ ARG B 9 -28.061 4.093 -2.979 1.00 10.00 C ATOM 906 NH1 ARG B 9 -29.160 3.539 -2.477 1.00 10.00 N ATOM 907 NH2 ARG B 9 -28.163 5.150 -3.767 1.00 10.00 N ATOM 0 H ARG B 9 -24.450 5.362 -1.394 1.00 10.00 H new ATOM 0 HA ARG B 9 -23.298 3.453 0.516 1.00 10.00 H new ATOM 0 HB2 ARG B 9 -24.273 3.136 -2.346 1.00 10.00 H new ATOM 0 HB3 ARG B 9 -23.733 1.836 -1.302 1.00 10.00 H new ATOM 0 HG2 ARG B 9 -25.660 1.840 -0.050 1.00 10.00 H new ATOM 0 HG3 ARG B 9 -25.905 3.567 -0.217 1.00 10.00 H new ATOM 0 HD2 ARG B 9 -26.279 1.603 -2.507 1.00 10.00 H new ATOM 0 HD3 ARG B 9 -27.580 2.089 -1.437 1.00 10.00 H new ATOM 0 HE ARG B 9 -26.039 4.096 -3.045 1.00 10.00 H new ATOM 0 HH11 ARG B 9 -29.087 2.732 -1.858 1.00 10.00 H new ATOM 0 HH12 ARG B 9 -30.076 3.921 -2.711 1.00 10.00 H new ATOM 0 HH21 ARG B 9 -27.323 5.588 -4.144 1.00 10.00 H new ATOM 0 HH22 ARG B 9 -29.082 5.527 -3.998 1.00 10.00 H new ATOM 921 N LEU B 10 -21.795 4.707 -2.124 1.00 10.00 N ATOM 922 CA LEU B 10 -20.500 4.878 -2.777 1.00 10.00 C ATOM 923 C LEU B 10 -19.485 5.508 -1.827 1.00 10.00 C ATOM 924 O LEU B 10 -18.328 5.092 -1.775 1.00 10.00 O ATOM 925 CB LEU B 10 -20.652 5.747 -4.028 1.00 10.00 C ATOM 926 CG LEU B 10 -19.380 5.908 -4.864 1.00 10.00 C ATOM 927 CD1 LEU B 10 -19.072 4.632 -5.631 1.00 10.00 C ATOM 928 CD2 LEU B 10 -19.521 7.082 -5.819 1.00 10.00 C ATOM 0 H LEU B 10 -22.544 5.273 -2.523 1.00 10.00 H new ATOM 0 HA LEU B 10 -20.134 3.893 -3.065 1.00 10.00 H new ATOM 0 HB2 LEU B 10 -21.430 5.317 -4.658 1.00 10.00 H new ATOM 0 HB3 LEU B 10 -20.997 6.736 -3.725 1.00 10.00 H new ATOM 0 HG LEU B 10 -18.549 6.106 -4.188 1.00 10.00 H new ATOM 0 HD11 LEU B 10 -18.164 4.770 -6.218 1.00 10.00 H new ATOM 0 HD12 LEU B 10 -18.929 3.811 -4.929 1.00 10.00 H new ATOM 0 HD13 LEU B 10 -19.902 4.399 -6.297 1.00 10.00 H new ATOM 0 HD21 LEU B 10 -18.609 7.184 -6.407 1.00 10.00 H new ATOM 0 HD22 LEU B 10 -20.365 6.909 -6.486 1.00 10.00 H new ATOM 0 HD23 LEU B 10 -19.690 7.996 -5.250 1.00 10.00 H new ATOM 940 N ILE B 11 -19.919 6.506 -1.067 1.00 10.00 N ATOM 941 CA ILE B 11 -19.037 7.185 -0.124 1.00 10.00 C ATOM 942 C ILE B 11 -18.716 6.286 1.073 1.00 10.00 C ATOM 943 O ILE B 11 -17.737 6.510 1.792 1.00 10.00 O ATOM 944 CB ILE B 11 -19.661 8.513 0.368 1.00 10.00 C ATOM 945 CG1 ILE B 11 -18.615 9.361 1.096 1.00 10.00 C ATOM 946 CG2 ILE B 11 -20.859 8.243 1.270 1.00 10.00 C ATOM 947 CD1 ILE B 11 -19.050 10.795 1.330 1.00 10.00 C ATOM 0 H ILE B 11 -20.874 6.863 -1.085 1.00 10.00 H new ATOM 0 HA ILE B 11 -18.110 7.411 -0.651 1.00 10.00 H new ATOM 0 HB ILE B 11 -20.009 9.071 -0.501 1.00 10.00 H new ATOM 0 HG12 ILE B 11 -18.389 8.898 2.056 1.00 10.00 H new ATOM 0 HG13 ILE B 11 -17.692 9.360 0.516 1.00 10.00 H new ATOM 0 HG21 ILE B 11 -21.283 9.190 1.605 1.00 10.00 H new ATOM 0 HG22 ILE B 11 -21.613 7.684 0.716 1.00 10.00 H new ATOM 0 HG23 ILE B 11 -20.539 7.662 2.135 1.00 10.00 H new ATOM 0 HD11 ILE B 11 -18.259 11.335 1.850 1.00 10.00 H new ATOM 0 HD12 ILE B 11 -19.248 11.276 0.372 1.00 10.00 H new ATOM 0 HD13 ILE B 11 -19.956 10.806 1.936 1.00 10.00 H new ATOM 959 N GLU B 12 -19.518 5.244 1.252 1.00 10.00 N ATOM 960 CA GLU B 12 -19.335 4.311 2.353 1.00 10.00 C ATOM 961 C GLU B 12 -18.132 3.408 2.128 1.00 10.00 C ATOM 962 O GLU B 12 -17.697 2.714 3.046 1.00 10.00 O ATOM 963 CB GLU B 12 -20.587 3.465 2.565 1.00 10.00 C ATOM 964 CG GLU B 12 -21.612 4.130 3.462 1.00 10.00 C ATOM 965 CD GLU B 12 -21.072 4.421 4.846 1.00 10.00 C ATOM 966 OE1 GLU B 12 -21.183 3.541 5.726 1.00 10.00 O ATOM 967 OE2 GLU B 12 -20.533 5.526 5.059 1.00 10.00 O ATOM 0 H GLU B 12 -20.306 5.024 0.643 1.00 10.00 H new ATOM 0 HA GLU B 12 -19.153 4.904 3.249 1.00 10.00 H new ATOM 0 HB2 GLU B 12 -21.043 3.254 1.598 1.00 10.00 H new ATOM 0 HB3 GLU B 12 -20.301 2.507 2.999 1.00 10.00 H new ATOM 0 HG2 GLU B 12 -21.943 5.061 3.002 1.00 10.00 H new ATOM 0 HG3 GLU B 12 -22.488 3.487 3.546 1.00 10.00 H new ATOM 974 N SER B 13 -17.602 3.408 0.910 1.00 10.00 N ATOM 975 CA SER B 13 -16.438 2.593 0.586 1.00 10.00 C ATOM 976 C SER B 13 -15.280 2.904 1.538 1.00 10.00 C ATOM 977 O SER B 13 -14.492 2.023 1.888 1.00 10.00 O ATOM 978 CB SER B 13 -16.011 2.835 -0.863 1.00 10.00 C ATOM 979 OG SER B 13 -17.115 2.710 -1.745 1.00 10.00 O ATOM 0 H SER B 13 -17.959 3.962 0.132 1.00 10.00 H new ATOM 0 HA SER B 13 -16.708 1.544 0.703 1.00 10.00 H new ATOM 0 HB2 SER B 13 -15.577 3.830 -0.957 1.00 10.00 H new ATOM 0 HB3 SER B 13 -15.236 2.121 -1.142 1.00 10.00 H new ATOM 0 HG SER B 13 -17.400 3.600 -2.040 1.00 10.00 H new ATOM 985 N LEU B 14 -15.207 4.156 1.981 1.00 10.00 N ATOM 986 CA LEU B 14 -14.161 4.586 2.900 1.00 10.00 C ATOM 987 C LEU B 14 -14.403 4.010 4.294 1.00 10.00 C ATOM 988 O LEU B 14 -13.473 3.562 4.969 1.00 10.00 O ATOM 989 CB LEU B 14 -14.113 6.116 2.959 1.00 10.00 C ATOM 990 CG LEU B 14 -13.652 6.799 1.670 1.00 10.00 C ATOM 991 CD1 LEU B 14 -14.185 8.222 1.602 1.00 10.00 C ATOM 992 CD2 LEU B 14 -12.131 6.803 1.587 1.00 10.00 C ATOM 0 H LEU B 14 -15.862 4.891 1.717 1.00 10.00 H new ATOM 0 HA LEU B 14 -13.203 4.215 2.537 1.00 10.00 H new ATOM 0 HB2 LEU B 14 -15.106 6.486 3.213 1.00 10.00 H new ATOM 0 HB3 LEU B 14 -13.446 6.413 3.768 1.00 10.00 H new ATOM 0 HG LEU B 14 -14.047 6.239 0.823 1.00 10.00 H new ATOM 0 HD11 LEU B 14 -13.848 8.693 0.679 1.00 10.00 H new ATOM 0 HD12 LEU B 14 -15.275 8.204 1.623 1.00 10.00 H new ATOM 0 HD13 LEU B 14 -13.815 8.790 2.456 1.00 10.00 H new ATOM 0 HD21 LEU B 14 -11.818 7.292 0.665 1.00 10.00 H new ATOM 0 HD22 LEU B 14 -11.721 7.343 2.441 1.00 10.00 H new ATOM 0 HD23 LEU B 14 -11.763 5.777 1.596 1.00 10.00 H new ATOM 1004 N SER B 15 -15.665 4.015 4.710 1.00 10.00 N ATOM 1005 CA SER B 15 -16.058 3.499 6.014 1.00 10.00 C ATOM 1006 C SER B 15 -15.956 1.975 6.046 1.00 10.00 C ATOM 1007 O SER B 15 -15.589 1.382 7.063 1.00 10.00 O ATOM 1008 CB SER B 15 -17.487 3.947 6.325 1.00 10.00 C ATOM 1009 OG SER B 15 -17.866 5.031 5.483 1.00 10.00 O ATOM 0 H SER B 15 -16.441 4.376 4.154 1.00 10.00 H new ATOM 0 HA SER B 15 -15.383 3.895 6.772 1.00 10.00 H new ATOM 0 HB2 SER B 15 -18.174 3.113 6.185 1.00 10.00 H new ATOM 0 HB3 SER B 15 -17.560 4.248 7.370 1.00 10.00 H new ATOM 0 HG SER B 15 -18.837 5.158 5.530 1.00 10.00 H new ATOM 1015 N GLN B 16 -16.272 1.353 4.915 1.00 10.00 N ATOM 1016 CA GLN B 16 -16.219 -0.100 4.783 1.00 10.00 C ATOM 1017 C GLN B 16 -14.803 -0.607 5.029 1.00 10.00 C ATOM 1018 O GLN B 16 -14.604 -1.588 5.745 1.00 10.00 O ATOM 1019 CB GLN B 16 -16.691 -0.518 3.390 1.00 10.00 C ATOM 1020 CG GLN B 16 -16.893 -2.017 3.226 1.00 10.00 C ATOM 1021 CD GLN B 16 -18.080 -2.542 4.009 1.00 10.00 C ATOM 1022 OE1 GLN B 16 -19.213 -2.528 3.526 1.00 10.00 O ATOM 1023 NE2 GLN B 16 -17.833 -3.023 5.220 1.00 10.00 N ATOM 0 H GLN B 16 -16.570 1.838 4.068 1.00 10.00 H new ATOM 0 HA GLN B 16 -16.880 -0.541 5.529 1.00 10.00 H new ATOM 0 HB2 GLN B 16 -17.629 -0.009 3.168 1.00 10.00 H new ATOM 0 HB3 GLN B 16 -15.962 -0.178 2.654 1.00 10.00 H new ATOM 0 HG2 GLN B 16 -17.031 -2.246 2.169 1.00 10.00 H new ATOM 0 HG3 GLN B 16 -15.992 -2.537 3.550 1.00 10.00 H new ATOM 0 HE21 GLN B 16 -16.881 -3.018 5.586 1.00 10.00 H new ATOM 0 HE22 GLN B 16 -18.595 -3.398 5.785 1.00 10.00 H new ATOM 1032 N MET B 17 -13.825 0.077 4.442 1.00 10.00 N ATOM 1033 CA MET B 17 -12.423 -0.299 4.604 1.00 10.00 C ATOM 1034 C MET B 17 -11.997 -0.141 6.058 1.00 10.00 C ATOM 1035 O MET B 17 -11.251 -0.961 6.591 1.00 10.00 O ATOM 1036 CB MET B 17 -11.520 0.549 3.703 1.00 10.00 C ATOM 1037 CG MET B 17 -11.858 0.441 2.225 1.00 10.00 C ATOM 1038 SD MET B 17 -11.823 -1.258 1.613 1.00 10.00 S ATOM 1039 CE MET B 17 -10.061 -1.548 1.489 1.00 10.00 C ATOM 0 H MET B 17 -13.977 0.894 3.850 1.00 10.00 H new ATOM 0 HA MET B 17 -12.319 -1.344 4.312 1.00 10.00 H new ATOM 0 HB2 MET B 17 -11.594 1.593 4.008 1.00 10.00 H new ATOM 0 HB3 MET B 17 -10.484 0.246 3.853 1.00 10.00 H new ATOM 0 HG2 MET B 17 -12.848 0.863 2.053 1.00 10.00 H new ATOM 0 HG3 MET B 17 -11.152 1.042 1.652 1.00 10.00 H new ATOM 0 HE1 MET B 17 -9.884 -2.559 1.123 1.00 10.00 H new ATOM 0 HE2 MET B 17 -9.622 -0.829 0.797 1.00 10.00 H new ATOM 0 HE3 MET B 17 -9.603 -1.432 2.471 1.00 10.00 H new ATOM 1049 N LEU B 18 -12.497 0.909 6.699 1.00 10.00 N ATOM 1050 CA LEU B 18 -12.181 1.179 8.095 1.00 10.00 C ATOM 1051 C LEU B 18 -12.712 0.060 8.988 1.00 10.00 C ATOM 1052 O LEU B 18 -11.999 -0.453 9.852 1.00 10.00 O ATOM 1053 CB LEU B 18 -12.779 2.525 8.517 1.00 10.00 C ATOM 1054 CG LEU B 18 -12.417 2.994 9.928 1.00 10.00 C ATOM 1055 CD1 LEU B 18 -10.926 3.270 10.038 1.00 10.00 C ATOM 1056 CD2 LEU B 18 -13.213 4.236 10.295 1.00 10.00 C ATOM 0 H LEU B 18 -13.125 1.589 6.271 1.00 10.00 H new ATOM 0 HA LEU B 18 -11.098 1.224 8.206 1.00 10.00 H new ATOM 0 HB2 LEU B 18 -12.455 3.285 7.806 1.00 10.00 H new ATOM 0 HB3 LEU B 18 -13.864 2.460 8.442 1.00 10.00 H new ATOM 0 HG LEU B 18 -12.671 2.198 10.628 1.00 10.00 H new ATOM 0 HD11 LEU B 18 -10.691 3.602 11.049 1.00 10.00 H new ATOM 0 HD12 LEU B 18 -10.370 2.359 9.817 1.00 10.00 H new ATOM 0 HD13 LEU B 18 -10.646 4.047 9.327 1.00 10.00 H new ATOM 0 HD21 LEU B 18 -12.944 4.557 11.301 1.00 10.00 H new ATOM 0 HD22 LEU B 18 -12.988 5.034 9.588 1.00 10.00 H new ATOM 0 HD23 LEU B 18 -14.278 4.009 10.259 1.00 10.00 H new ATOM 1068 N SER B 19 -13.957 -0.338 8.751 1.00 10.00 N ATOM 1069 CA SER B 19 -14.588 -1.393 9.528 1.00 10.00 C ATOM 1070 C SER B 19 -13.964 -2.748 9.205 1.00 10.00 C ATOM 1071 O SER B 19 -14.094 -3.701 9.973 1.00 10.00 O ATOM 1072 CB SER B 19 -16.093 -1.428 9.250 1.00 10.00 C ATOM 1073 OG SER B 19 -16.763 -2.294 10.154 1.00 10.00 O ATOM 0 H SER B 19 -14.550 0.058 8.022 1.00 10.00 H new ATOM 0 HA SER B 19 -14.428 -1.182 10.585 1.00 10.00 H new ATOM 0 HB2 SER B 19 -16.504 -0.422 9.334 1.00 10.00 H new ATOM 0 HB3 SER B 19 -16.269 -1.760 8.227 1.00 10.00 H new ATOM 0 HG SER B 19 -17.723 -2.296 9.955 1.00 10.00 H new ATOM 1079 N MET B 20 -13.291 -2.829 8.065 1.00 10.00 N ATOM 1080 CA MET B 20 -12.640 -4.063 7.647 1.00 10.00 C ATOM 1081 C MET B 20 -11.283 -4.209 8.331 1.00 10.00 C ATOM 1082 O MET B 20 -10.664 -5.275 8.300 1.00 10.00 O ATOM 1083 CB MET B 20 -12.476 -4.086 6.123 1.00 10.00 C ATOM 1084 CG MET B 20 -12.240 -5.477 5.551 1.00 10.00 C ATOM 1085 SD MET B 20 -12.518 -5.553 3.772 1.00 10.00 S ATOM 1086 CE MET B 20 -14.227 -5.023 3.677 1.00 10.00 C ATOM 0 H MET B 20 -13.182 -2.053 7.412 1.00 10.00 H new ATOM 0 HA MET B 20 -13.267 -4.904 7.943 1.00 10.00 H new ATOM 0 HB2 MET B 20 -13.369 -3.662 5.664 1.00 10.00 H new ATOM 0 HB3 MET B 20 -11.640 -3.443 5.847 1.00 10.00 H new ATOM 0 HG2 MET B 20 -11.218 -5.786 5.768 1.00 10.00 H new ATOM 0 HG3 MET B 20 -12.901 -6.187 6.049 1.00 10.00 H new ATOM 0 HE1 MET B 20 -14.757 -5.633 2.945 1.00 10.00 H new ATOM 0 HE2 MET B 20 -14.698 -5.137 4.653 1.00 10.00 H new ATOM 0 HE3 MET B 20 -14.267 -3.977 3.374 1.00 10.00 H new ATOM 1096 N GLY B 21 -10.829 -3.127 8.956 1.00 10.00 N ATOM 1097 CA GLY B 21 -9.560 -3.148 9.650 1.00 10.00 C ATOM 1098 C GLY B 21 -8.445 -2.519 8.844 1.00 10.00 C ATOM 1099 O GLY B 21 -7.271 -2.647 9.189 1.00 10.00 O ATOM 0 H GLY B 21 -11.321 -2.234 8.993 1.00 10.00 H new ATOM 0 HA2 GLY B 21 -9.660 -2.620 10.598 1.00 10.00 H new ATOM 0 HA3 GLY B 21 -9.296 -4.179 9.885 1.00 10.00 H new ATOM 1103 N PHE B 22 -8.807 -1.834 7.764 1.00 10.00 N ATOM 1104 CA PHE B 22 -7.827 -1.190 6.908 1.00 10.00 C ATOM 1105 C PHE B 22 -7.713 0.290 7.255 1.00 10.00 C ATOM 1106 O PHE B 22 -8.713 1.010 7.279 1.00 10.00 O ATOM 1107 CB PHE B 22 -8.216 -1.360 5.436 1.00 10.00 C ATOM 1108 CG PHE B 22 -7.048 -1.577 4.511 1.00 10.00 C ATOM 1109 CD1 PHE B 22 -5.895 -0.821 4.631 1.00 10.00 C ATOM 1110 CD2 PHE B 22 -7.106 -2.544 3.518 1.00 10.00 C ATOM 1111 CE1 PHE B 22 -4.823 -1.026 3.784 1.00 10.00 C ATOM 1112 CE2 PHE B 22 -6.039 -2.750 2.667 1.00 10.00 C ATOM 1113 CZ PHE B 22 -4.894 -1.987 2.801 1.00 10.00 C ATOM 0 H PHE B 22 -9.774 -1.713 7.464 1.00 10.00 H new ATOM 0 HA PHE B 22 -6.858 -1.662 7.071 1.00 10.00 H new ATOM 0 HB2 PHE B 22 -8.898 -2.206 5.347 1.00 10.00 H new ATOM 0 HB3 PHE B 22 -8.763 -0.475 5.112 1.00 10.00 H new ATOM 0 HD1 PHE B 22 -5.832 -0.061 5.396 1.00 10.00 H new ATOM 0 HD2 PHE B 22 -7.998 -3.144 3.409 1.00 10.00 H new ATOM 0 HE1 PHE B 22 -3.928 -0.431 3.893 1.00 10.00 H new ATOM 0 HE2 PHE B 22 -6.099 -3.506 1.898 1.00 10.00 H new ATOM 0 HZ PHE B 22 -4.057 -2.144 2.136 1.00 10.00 H new ATOM 1123 N SER B 23 -6.502 0.727 7.562 1.00 10.00 N ATOM 1124 CA SER B 23 -6.245 2.119 7.898 1.00 10.00 C ATOM 1125 C SER B 23 -4.824 2.501 7.502 1.00 10.00 C ATOM 1126 O SER B 23 -3.920 1.658 7.507 1.00 10.00 O ATOM 1127 CB SER B 23 -6.455 2.355 9.398 1.00 10.00 C ATOM 1128 OG SER B 23 -7.745 1.923 9.806 1.00 10.00 O ATOM 0 H SER B 23 -5.674 0.132 7.585 1.00 10.00 H new ATOM 0 HA SER B 23 -6.946 2.745 7.345 1.00 10.00 H new ATOM 0 HB2 SER B 23 -5.693 1.820 9.964 1.00 10.00 H new ATOM 0 HB3 SER B 23 -6.334 3.415 9.623 1.00 10.00 H new ATOM 0 HG SER B 23 -7.855 2.082 10.767 1.00 10.00 H new ATOM 1134 N ASP B 24 -4.628 3.759 7.140 1.00 10.00 N ATOM 1135 CA ASP B 24 -3.314 4.239 6.742 1.00 10.00 C ATOM 1136 C ASP B 24 -2.746 5.207 7.776 1.00 10.00 C ATOM 1137 O ASP B 24 -3.456 6.064 8.300 1.00 10.00 O ATOM 1138 CB ASP B 24 -3.360 4.903 5.358 1.00 10.00 C ATOM 1139 CG ASP B 24 -4.532 5.855 5.154 1.00 10.00 C ATOM 1140 OD1 ASP B 24 -5.263 6.148 6.118 1.00 10.00 O ATOM 1141 OD2 ASP B 24 -4.717 6.312 4.008 1.00 10.00 O ATOM 0 H ASP B 24 -5.362 4.466 7.114 1.00 10.00 H new ATOM 0 HA ASP B 24 -2.654 3.373 6.683 1.00 10.00 H new ATOM 0 HB2 ASP B 24 -2.431 5.451 5.201 1.00 10.00 H new ATOM 0 HB3 ASP B 24 -3.404 4.124 4.596 1.00 10.00 H new ATOM 1146 N GLU B 25 -1.463 5.059 8.067 1.00 10.00 N ATOM 1147 CA GLU B 25 -0.789 5.906 9.044 1.00 10.00 C ATOM 1148 C GLU B 25 -0.268 7.180 8.385 1.00 10.00 C ATOM 1149 O GLU B 25 -0.051 8.192 9.048 1.00 10.00 O ATOM 1150 CB GLU B 25 0.377 5.154 9.703 1.00 10.00 C ATOM 1151 CG GLU B 25 0.229 3.639 9.687 1.00 10.00 C ATOM 1152 CD GLU B 25 0.803 2.997 8.436 1.00 10.00 C ATOM 1153 OE1 GLU B 25 0.138 3.044 7.375 1.00 10.00 O ATOM 1154 OE2 GLU B 25 1.913 2.427 8.510 1.00 10.00 O ATOM 0 H GLU B 25 -0.862 4.355 7.638 1.00 10.00 H new ATOM 0 HA GLU B 25 -1.516 6.174 9.810 1.00 10.00 H new ATOM 0 HB2 GLU B 25 1.303 5.423 9.194 1.00 10.00 H new ATOM 0 HB3 GLU B 25 0.473 5.488 10.736 1.00 10.00 H new ATOM 0 HG2 GLU B 25 0.726 3.222 10.563 1.00 10.00 H new ATOM 0 HG3 GLU B 25 -0.827 3.382 9.768 1.00 10.00 H new ATOM 1161 N GLY B 26 -0.068 7.121 7.077 1.00 10.00 N ATOM 1162 CA GLY B 26 0.434 8.273 6.358 1.00 10.00 C ATOM 1163 C GLY B 26 -0.479 8.692 5.226 1.00 10.00 C ATOM 1164 O GLY B 26 -0.043 9.362 4.291 1.00 10.00 O ATOM 0 H GLY B 26 -0.244 6.297 6.501 1.00 10.00 H new ATOM 0 HA2 GLY B 26 0.554 9.106 7.051 1.00 10.00 H new ATOM 0 HA3 GLY B 26 1.422 8.046 5.958 1.00 10.00 H new ATOM 1168 N GLY B 27 -1.745 8.302 5.311 1.00 10.00 N ATOM 1169 CA GLY B 27 -2.709 8.652 4.279 1.00 10.00 C ATOM 1170 C GLY B 27 -2.337 8.089 2.922 1.00 10.00 C ATOM 1171 O GLY B 27 -2.437 8.775 1.906 1.00 10.00 O ATOM 0 H GLY B 27 -2.125 7.747 6.078 1.00 10.00 H new ATOM 0 HA2 GLY B 27 -3.693 8.281 4.565 1.00 10.00 H new ATOM 0 HA3 GLY B 27 -2.785 9.737 4.210 1.00 10.00 H new ATOM 1175 N TRP B 28 -1.898 6.838 2.902 1.00 10.00 N ATOM 1176 CA TRP B 28 -1.504 6.195 1.659 1.00 10.00 C ATOM 1177 C TRP B 28 -2.651 5.361 1.080 1.00 10.00 C ATOM 1178 O TRP B 28 -2.744 5.176 -0.132 1.00 10.00 O ATOM 1179 CB TRP B 28 -0.240 5.343 1.862 1.00 10.00 C ATOM 1180 CG TRP B 28 -0.443 4.081 2.656 1.00 10.00 C ATOM 1181 CD1 TRP B 28 -0.235 3.915 3.993 1.00 10.00 C ATOM 1182 CD2 TRP B 28 -0.868 2.807 2.155 1.00 10.00 C ATOM 1183 NE1 TRP B 28 -0.513 2.620 4.355 1.00 10.00 N ATOM 1184 CE2 TRP B 28 -0.901 1.918 3.245 1.00 10.00 C ATOM 1185 CE3 TRP B 28 -1.226 2.333 0.891 1.00 10.00 C ATOM 1186 CZ2 TRP B 28 -1.276 0.580 3.102 1.00 10.00 C ATOM 1187 CZ3 TRP B 28 -1.600 1.012 0.753 1.00 10.00 C ATOM 1188 CH2 TRP B 28 -1.622 0.148 1.854 1.00 10.00 C ATOM 0 H TRP B 28 -1.806 6.251 3.731 1.00 10.00 H new ATOM 0 HA TRP B 28 -1.269 6.975 0.935 1.00 10.00 H new ATOM 0 HB2 TRP B 28 0.162 5.078 0.884 1.00 10.00 H new ATOM 0 HB3 TRP B 28 0.513 5.952 2.362 1.00 10.00 H new ATOM 0 HD1 TRP B 28 0.099 4.689 4.668 1.00 10.00 H new ATOM 0 HE1 TRP B 28 -0.442 2.241 5.299 1.00 10.00 H new ATOM 0 HE3 TRP B 28 -1.210 2.991 0.034 1.00 10.00 H new ATOM 0 HZ2 TRP B 28 -1.292 -0.089 3.949 1.00 10.00 H new ATOM 0 HZ3 TRP B 28 -1.880 0.638 -0.221 1.00 10.00 H new ATOM 0 HH2 TRP B 28 -1.919 -0.881 1.713 1.00 10.00 H new ATOM 1199 N LEU B 29 -3.543 4.889 1.947 1.00 10.00 N ATOM 1200 CA LEU B 29 -4.680 4.086 1.510 1.00 10.00 C ATOM 1201 C LEU B 29 -5.708 4.985 0.844 1.00 10.00 C ATOM 1202 O LEU B 29 -6.323 4.619 -0.158 1.00 10.00 O ATOM 1203 CB LEU B 29 -5.308 3.344 2.695 1.00 10.00 C ATOM 1204 CG LEU B 29 -6.686 2.726 2.425 1.00 10.00 C ATOM 1205 CD1 LEU B 29 -6.557 1.475 1.566 1.00 10.00 C ATOM 1206 CD2 LEU B 29 -7.390 2.405 3.735 1.00 10.00 C ATOM 0 H LEU B 29 -3.500 5.048 2.954 1.00 10.00 H new ATOM 0 HA LEU B 29 -4.333 3.342 0.793 1.00 10.00 H new ATOM 0 HB2 LEU B 29 -4.628 2.552 3.008 1.00 10.00 H new ATOM 0 HB3 LEU B 29 -5.397 4.038 3.531 1.00 10.00 H new ATOM 0 HG LEU B 29 -7.287 3.453 1.879 1.00 10.00 H new ATOM 0 HD11 LEU B 29 -7.546 1.053 1.387 1.00 10.00 H new ATOM 0 HD12 LEU B 29 -6.095 1.734 0.613 1.00 10.00 H new ATOM 0 HD13 LEU B 29 -5.938 0.741 2.082 1.00 10.00 H new ATOM 0 HD21 LEU B 29 -8.366 1.967 3.526 1.00 10.00 H new ATOM 0 HD22 LEU B 29 -6.790 1.697 4.307 1.00 10.00 H new ATOM 0 HD23 LEU B 29 -7.519 3.320 4.312 1.00 10.00 H new ATOM 1218 N THR B 30 -5.871 6.177 1.404 1.00 10.00 N ATOM 1219 CA THR B 30 -6.803 7.153 0.869 1.00 10.00 C ATOM 1220 C THR B 30 -6.413 7.535 -0.566 1.00 10.00 C ATOM 1221 O THR B 30 -7.263 7.885 -1.381 1.00 10.00 O ATOM 1222 CB THR B 30 -6.876 8.405 1.790 1.00 10.00 C ATOM 1223 OG1 THR B 30 -8.247 8.775 2.011 1.00 10.00 O ATOM 1224 CG2 THR B 30 -6.117 9.594 1.211 1.00 10.00 C ATOM 0 H THR B 30 -5.365 6.489 2.233 1.00 10.00 H new ATOM 0 HA THR B 30 -7.797 6.707 0.839 1.00 10.00 H new ATOM 0 HB THR B 30 -6.403 8.136 2.735 1.00 10.00 H new ATOM 0 HG1 THR B 30 -8.284 9.563 2.593 1.00 10.00 H new ATOM 0 HG21 THR B 30 -6.198 10.443 1.890 1.00 10.00 H new ATOM 0 HG22 THR B 30 -5.067 9.329 1.085 1.00 10.00 H new ATOM 0 HG23 THR B 30 -6.543 9.861 0.244 1.00 10.00 H new ATOM 1232 N ARG B 31 -5.117 7.420 -0.871 1.00 10.00 N ATOM 1233 CA ARG B 31 -4.605 7.734 -2.199 1.00 10.00 C ATOM 1234 C ARG B 31 -4.785 6.534 -3.119 1.00 10.00 C ATOM 1235 O ARG B 31 -5.076 6.679 -4.306 1.00 10.00 O ATOM 1236 CB ARG B 31 -3.123 8.109 -2.119 1.00 10.00 C ATOM 1237 CG ARG B 31 -2.840 9.278 -1.193 1.00 10.00 C ATOM 1238 CD ARG B 31 -2.964 10.608 -1.917 1.00 10.00 C ATOM 1239 NE ARG B 31 -1.735 10.960 -2.628 1.00 10.00 N ATOM 1240 CZ ARG B 31 -1.018 12.058 -2.395 1.00 10.00 C ATOM 1241 NH1 ARG B 31 -1.442 12.966 -1.517 1.00 10.00 N ATOM 1242 NH2 ARG B 31 0.117 12.250 -3.057 1.00 10.00 N ATOM 0 H ARG B 31 -4.405 7.110 -0.210 1.00 10.00 H new ATOM 0 HA ARG B 31 -5.162 8.581 -2.600 1.00 10.00 H new ATOM 0 HB2 ARG B 31 -2.556 7.242 -1.780 1.00 10.00 H new ATOM 0 HB3 ARG B 31 -2.764 8.353 -3.119 1.00 10.00 H new ATOM 0 HG2 ARG B 31 -3.535 9.254 -0.353 1.00 10.00 H new ATOM 0 HG3 ARG B 31 -1.836 9.180 -0.779 1.00 10.00 H new ATOM 0 HD2 ARG B 31 -3.792 10.560 -2.625 1.00 10.00 H new ATOM 0 HD3 ARG B 31 -3.204 11.391 -1.198 1.00 10.00 H new ATOM 0 HE ARG B 31 -1.405 10.321 -3.351 1.00 10.00 H new ATOM 0 HH11 ARG B 31 -2.320 12.822 -1.019 1.00 10.00 H new ATOM 0 HH12 ARG B 31 -0.888 13.805 -1.343 1.00 10.00 H new ATOM 0 HH21 ARG B 31 0.433 11.559 -3.738 1.00 10.00 H new ATOM 0 HH22 ARG B 31 0.672 13.088 -2.885 1.00 10.00 H new ATOM 1256 N LEU B 32 -4.624 5.346 -2.547 1.00 10.00 N ATOM 1257 CA LEU B 32 -4.760 4.095 -3.286 1.00 10.00 C ATOM 1258 C LEU B 32 -6.169 3.951 -3.860 1.00 10.00 C ATOM 1259 O LEU B 32 -6.354 3.440 -4.966 1.00 10.00 O ATOM 1260 CB LEU B 32 -4.456 2.914 -2.359 1.00 10.00 C ATOM 1261 CG LEU B 32 -4.201 1.581 -3.059 1.00 10.00 C ATOM 1262 CD1 LEU B 32 -2.712 1.388 -3.302 1.00 10.00 C ATOM 1263 CD2 LEU B 32 -4.764 0.427 -2.242 1.00 10.00 C ATOM 0 H LEU B 32 -4.396 5.222 -1.561 1.00 10.00 H new ATOM 0 HA LEU B 32 -4.051 4.104 -4.114 1.00 10.00 H new ATOM 0 HB2 LEU B 32 -3.582 3.162 -1.757 1.00 10.00 H new ATOM 0 HB3 LEU B 32 -5.292 2.790 -1.671 1.00 10.00 H new ATOM 0 HG LEU B 32 -4.711 1.595 -4.022 1.00 10.00 H new ATOM 0 HD11 LEU B 32 -2.546 0.434 -3.802 1.00 10.00 H new ATOM 0 HD12 LEU B 32 -2.338 2.196 -3.930 1.00 10.00 H new ATOM 0 HD13 LEU B 32 -2.184 1.395 -2.349 1.00 10.00 H new ATOM 0 HD21 LEU B 32 -4.571 -0.513 -2.759 1.00 10.00 H new ATOM 0 HD22 LEU B 32 -4.286 0.407 -1.263 1.00 10.00 H new ATOM 0 HD23 LEU B 32 -5.839 0.559 -2.118 1.00 10.00 H new ATOM 1275 N LEU B 33 -7.154 4.425 -3.107 1.00 10.00 N ATOM 1276 CA LEU B 33 -8.552 4.347 -3.523 1.00 10.00 C ATOM 1277 C LEU B 33 -8.857 5.324 -4.654 1.00 10.00 C ATOM 1278 O LEU B 33 -9.946 5.305 -5.224 1.00 10.00 O ATOM 1279 CB LEU B 33 -9.468 4.619 -2.330 1.00 10.00 C ATOM 1280 CG LEU B 33 -9.406 3.575 -1.214 1.00 10.00 C ATOM 1281 CD1 LEU B 33 -10.156 4.069 0.008 1.00 10.00 C ATOM 1282 CD2 LEU B 33 -9.975 2.245 -1.688 1.00 10.00 C ATOM 0 H LEU B 33 -7.011 4.870 -2.200 1.00 10.00 H new ATOM 0 HA LEU B 33 -8.734 3.340 -3.897 1.00 10.00 H new ATOM 0 HB2 LEU B 33 -9.213 5.592 -1.911 1.00 10.00 H new ATOM 0 HB3 LEU B 33 -10.495 4.685 -2.688 1.00 10.00 H new ATOM 0 HG LEU B 33 -8.361 3.420 -0.944 1.00 10.00 H new ATOM 0 HD11 LEU B 33 -10.104 3.317 0.795 1.00 10.00 H new ATOM 0 HD12 LEU B 33 -9.705 4.996 0.362 1.00 10.00 H new ATOM 0 HD13 LEU B 33 -11.199 4.250 -0.253 1.00 10.00 H new ATOM 0 HD21 LEU B 33 -9.921 1.517 -0.879 1.00 10.00 H new ATOM 0 HD22 LEU B 33 -11.015 2.380 -1.986 1.00 10.00 H new ATOM 0 HD23 LEU B 33 -9.397 1.885 -2.539 1.00 10.00 H new ATOM 1294 N GLN B 34 -7.903 6.189 -4.966 1.00 10.00 N ATOM 1295 CA GLN B 34 -8.090 7.150 -6.040 1.00 10.00 C ATOM 1296 C GLN B 34 -7.503 6.605 -7.339 1.00 10.00 C ATOM 1297 O GLN B 34 -8.142 6.648 -8.389 1.00 10.00 O ATOM 1298 CB GLN B 34 -7.445 8.499 -5.701 1.00 10.00 C ATOM 1299 CG GLN B 34 -7.837 9.045 -4.338 1.00 10.00 C ATOM 1300 CD GLN B 34 -9.338 9.080 -4.120 1.00 10.00 C ATOM 1301 OE1 GLN B 34 -10.116 9.341 -5.040 1.00 10.00 O ATOM 1302 NE2 GLN B 34 -9.753 8.811 -2.896 1.00 10.00 N ATOM 0 H GLN B 34 -7.000 6.245 -4.495 1.00 10.00 H new ATOM 0 HA GLN B 34 -9.161 7.309 -6.165 1.00 10.00 H new ATOM 0 HB2 GLN B 34 -6.361 8.392 -5.740 1.00 10.00 H new ATOM 0 HB3 GLN B 34 -7.722 9.225 -6.465 1.00 10.00 H new ATOM 0 HG2 GLN B 34 -7.377 8.433 -3.562 1.00 10.00 H new ATOM 0 HG3 GLN B 34 -7.436 10.053 -4.228 1.00 10.00 H new ATOM 0 HE21 GLN B 34 -9.076 8.600 -2.163 1.00 10.00 H new ATOM 0 HE22 GLN B 34 -10.751 8.814 -2.683 1.00 10.00 H new ATOM 1311 N THR B 35 -6.291 6.068 -7.249 1.00 10.00 N ATOM 1312 CA THR B 35 -5.599 5.528 -8.412 1.00 10.00 C ATOM 1313 C THR B 35 -6.126 4.147 -8.802 1.00 10.00 C ATOM 1314 O THR B 35 -6.310 3.856 -9.985 1.00 10.00 O ATOM 1315 CB THR B 35 -4.077 5.444 -8.157 1.00 10.00 C ATOM 1316 OG1 THR B 35 -3.829 5.034 -6.804 1.00 10.00 O ATOM 1317 CG2 THR B 35 -3.415 6.793 -8.412 1.00 10.00 C ATOM 0 H THR B 35 -5.766 5.995 -6.378 1.00 10.00 H new ATOM 0 HA THR B 35 -5.792 6.213 -9.238 1.00 10.00 H new ATOM 0 HB THR B 35 -3.653 4.710 -8.842 1.00 10.00 H new ATOM 0 HG1 THR B 35 -2.878 5.149 -6.596 1.00 10.00 H new ATOM 0 HG21 THR B 35 -2.344 6.713 -8.227 1.00 10.00 H new ATOM 0 HG22 THR B 35 -3.583 7.091 -9.447 1.00 10.00 H new ATOM 0 HG23 THR B 35 -3.844 7.541 -7.745 1.00 10.00 H new ATOM 1325 N LYS B 36 -6.395 3.310 -7.810 1.00 10.00 N ATOM 1326 CA LYS B 36 -6.877 1.960 -8.068 1.00 10.00 C ATOM 1327 C LYS B 36 -8.385 1.866 -7.850 1.00 10.00 C ATOM 1328 O LYS B 36 -8.952 0.772 -7.850 1.00 10.00 O ATOM 1329 CB LYS B 36 -6.132 0.965 -7.173 1.00 10.00 C ATOM 1330 CG LYS B 36 -4.665 1.322 -6.963 1.00 10.00 C ATOM 1331 CD LYS B 36 -3.838 0.113 -6.556 1.00 10.00 C ATOM 1332 CE LYS B 36 -3.173 -0.530 -7.759 1.00 10.00 C ATOM 1333 NZ LYS B 36 -2.087 0.316 -8.322 1.00 10.00 N ATOM 0 H LYS B 36 -6.288 3.541 -6.822 1.00 10.00 H new ATOM 0 HA LYS B 36 -6.680 1.711 -9.111 1.00 10.00 H new ATOM 0 HB2 LYS B 36 -6.629 0.916 -6.204 1.00 10.00 H new ATOM 0 HB3 LYS B 36 -6.197 -0.029 -7.615 1.00 10.00 H new ATOM 0 HG2 LYS B 36 -4.260 1.746 -7.882 1.00 10.00 H new ATOM 0 HG3 LYS B 36 -4.585 2.091 -6.195 1.00 10.00 H new ATOM 0 HD2 LYS B 36 -3.078 0.415 -5.836 1.00 10.00 H new ATOM 0 HD3 LYS B 36 -4.477 -0.616 -6.058 1.00 10.00 H new ATOM 0 HE2 LYS B 36 -2.764 -1.498 -7.471 1.00 10.00 H new ATOM 0 HE3 LYS B 36 -3.922 -0.716 -8.529 1.00 10.00 H new ATOM 0 HZ1 LYS B 36 -2.309 0.554 -9.310 1.00 10.00 H new ATOM 0 HZ2 LYS B 36 -2.004 1.191 -7.765 1.00 10.00 H new ATOM 0 HZ3 LYS B 36 -1.187 -0.204 -8.285 1.00 10.00 H new ATOM 1347 N ASN B 37 -9.017 3.027 -7.673 1.00 10.00 N ATOM 1348 CA ASN B 37 -10.466 3.131 -7.466 1.00 10.00 C ATOM 1349 C ASN B 37 -10.884 2.571 -6.101 1.00 10.00 C ATOM 1350 O ASN B 37 -10.055 2.078 -5.336 1.00 10.00 O ATOM 1351 CB ASN B 37 -11.235 2.432 -8.597 1.00 10.00 C ATOM 1352 CG ASN B 37 -12.614 3.026 -8.815 1.00 10.00 C ATOM 1353 OD1 ASN B 37 -13.589 2.594 -8.203 1.00 10.00 O ATOM 1354 ND2 ASN B 37 -12.706 4.026 -9.676 1.00 10.00 N ATOM 0 H ASN B 37 -8.538 3.927 -7.669 1.00 10.00 H new ATOM 0 HA ASN B 37 -10.721 4.191 -7.481 1.00 10.00 H new ATOM 0 HB2 ASN B 37 -10.661 2.505 -9.521 1.00 10.00 H new ATOM 0 HB3 ASN B 37 -11.332 1.372 -8.365 1.00 10.00 H new ATOM 0 HD21 ASN B 37 -13.609 4.467 -9.851 1.00 10.00 H new ATOM 0 HD22 ASN B 37 -11.874 4.357 -10.165 1.00 10.00 H new ATOM 1361 N TYR B 38 -12.176 2.644 -5.805 1.00 10.00 N ATOM 1362 CA TYR B 38 -12.714 2.183 -4.531 1.00 10.00 C ATOM 1363 C TYR B 38 -13.170 0.730 -4.614 1.00 10.00 C ATOM 1364 O TYR B 38 -14.155 0.347 -3.984 1.00 10.00 O ATOM 1365 CB TYR B 38 -13.897 3.065 -4.120 1.00 10.00 C ATOM 1366 CG TYR B 38 -13.515 4.474 -3.731 1.00 10.00 C ATOM 1367 CD1 TYR B 38 -13.396 5.473 -4.689 1.00 10.00 C ATOM 1368 CD2 TYR B 38 -13.286 4.806 -2.402 1.00 10.00 C ATOM 1369 CE1 TYR B 38 -13.057 6.763 -4.331 1.00 10.00 C ATOM 1370 CE2 TYR B 38 -12.952 6.096 -2.037 1.00 10.00 C ATOM 1371 CZ TYR B 38 -12.839 7.069 -3.004 1.00 10.00 C ATOM 1372 OH TYR B 38 -12.517 8.358 -2.644 1.00 10.00 O ATOM 0 H TYR B 38 -12.879 3.023 -6.440 1.00 10.00 H new ATOM 0 HA TYR B 38 -11.921 2.251 -3.786 1.00 10.00 H new ATOM 0 HB2 TYR B 38 -14.607 3.108 -4.946 1.00 10.00 H new ATOM 0 HB3 TYR B 38 -14.411 2.596 -3.281 1.00 10.00 H new ATOM 0 HD1 TYR B 38 -13.571 5.237 -5.728 1.00 10.00 H new ATOM 0 HD2 TYR B 38 -13.370 4.044 -1.642 1.00 10.00 H new ATOM 0 HE1 TYR B 38 -12.963 7.529 -5.087 1.00 10.00 H new ATOM 0 HE2 TYR B 38 -12.781 6.340 -0.999 1.00 10.00 H new ATOM 0 HH TYR B 38 -12.396 8.406 -1.673 1.00 10.00 H new ATOM 1382 N ASP B 39 -12.459 -0.079 -5.380 1.00 10.00 N ATOM 1383 CA ASP B 39 -12.818 -1.486 -5.520 1.00 10.00 C ATOM 1384 C ASP B 39 -12.191 -2.295 -4.389 1.00 10.00 C ATOM 1385 O ASP B 39 -10.980 -2.526 -4.377 1.00 10.00 O ATOM 1386 CB ASP B 39 -12.370 -2.034 -6.879 1.00 10.00 C ATOM 1387 CG ASP B 39 -12.994 -3.382 -7.190 1.00 10.00 C ATOM 1388 OD1 ASP B 39 -12.521 -4.402 -6.646 1.00 10.00 O ATOM 1389 OD2 ASP B 39 -13.969 -3.432 -7.971 1.00 10.00 O ATOM 0 H ASP B 39 -11.637 0.207 -5.911 1.00 10.00 H new ATOM 0 HA ASP B 39 -13.903 -1.573 -5.463 1.00 10.00 H new ATOM 0 HB2 ASP B 39 -12.637 -1.323 -7.661 1.00 10.00 H new ATOM 0 HB3 ASP B 39 -11.284 -2.127 -6.891 1.00 10.00 H new ATOM 1394 N ILE B 40 -13.025 -2.710 -3.446 1.00 10.00 N ATOM 1395 CA ILE B 40 -12.586 -3.477 -2.281 1.00 10.00 C ATOM 1396 C ILE B 40 -11.854 -4.756 -2.685 1.00 10.00 C ATOM 1397 O ILE B 40 -10.780 -5.058 -2.155 1.00 10.00 O ATOM 1398 CB ILE B 40 -13.785 -3.837 -1.379 1.00 10.00 C ATOM 1399 CG1 ILE B 40 -14.554 -2.571 -0.991 1.00 10.00 C ATOM 1400 CG2 ILE B 40 -13.319 -4.578 -0.136 1.00 10.00 C ATOM 1401 CD1 ILE B 40 -15.887 -2.842 -0.328 1.00 10.00 C ATOM 0 H ILE B 40 -14.028 -2.526 -3.464 1.00 10.00 H new ATOM 0 HA ILE B 40 -11.892 -2.844 -1.728 1.00 10.00 H new ATOM 0 HB ILE B 40 -14.452 -4.494 -1.937 1.00 10.00 H new ATOM 0 HG12 ILE B 40 -13.938 -1.976 -0.317 1.00 10.00 H new ATOM 0 HG13 ILE B 40 -14.720 -1.970 -1.885 1.00 10.00 H new ATOM 0 HG21 ILE B 40 -14.180 -4.822 0.486 1.00 10.00 H new ATOM 0 HG22 ILE B 40 -12.811 -5.497 -0.429 1.00 10.00 H new ATOM 0 HG23 ILE B 40 -12.632 -3.947 0.427 1.00 10.00 H new ATOM 0 HD11 ILE B 40 -16.371 -1.896 -0.083 1.00 10.00 H new ATOM 0 HD12 ILE B 40 -16.523 -3.410 -1.008 1.00 10.00 H new ATOM 0 HD13 ILE B 40 -15.729 -3.416 0.585 1.00 10.00 H new ATOM 1413 N GLY B 41 -12.428 -5.488 -3.631 1.00 10.00 N ATOM 1414 CA GLY B 41 -11.825 -6.729 -4.091 1.00 10.00 C ATOM 1415 C GLY B 41 -10.417 -6.535 -4.615 1.00 10.00 C ATOM 1416 O GLY B 41 -9.486 -7.214 -4.178 1.00 10.00 O ATOM 0 H GLY B 41 -13.305 -5.245 -4.092 1.00 10.00 H new ATOM 0 HA2 GLY B 41 -11.807 -7.446 -3.270 1.00 10.00 H new ATOM 0 HA3 GLY B 41 -12.445 -7.160 -4.877 1.00 10.00 H new ATOM 1420 N ALA B 42 -10.257 -5.594 -5.533 1.00 10.00 N ATOM 1421 CA ALA B 42 -8.952 -5.306 -6.114 1.00 10.00 C ATOM 1422 C ALA B 42 -7.986 -4.796 -5.053 1.00 10.00 C ATOM 1423 O ALA B 42 -6.811 -5.164 -5.036 1.00 10.00 O ATOM 1424 CB ALA B 42 -9.085 -4.293 -7.240 1.00 10.00 C ATOM 0 H ALA B 42 -11.016 -5.015 -5.893 1.00 10.00 H new ATOM 0 HA ALA B 42 -8.550 -6.233 -6.523 1.00 10.00 H new ATOM 0 HB1 ALA B 42 -8.102 -4.089 -7.663 1.00 10.00 H new ATOM 0 HB2 ALA B 42 -9.738 -4.694 -8.015 1.00 10.00 H new ATOM 0 HB3 ALA B 42 -9.511 -3.369 -6.850 1.00 10.00 H new ATOM 1430 N ALA B 43 -8.496 -3.962 -4.152 1.00 10.00 N ATOM 1431 CA ALA B 43 -7.687 -3.390 -3.082 1.00 10.00 C ATOM 1432 C ALA B 43 -7.109 -4.476 -2.175 1.00 10.00 C ATOM 1433 O ALA B 43 -5.918 -4.467 -1.864 1.00 10.00 O ATOM 1434 CB ALA B 43 -8.512 -2.405 -2.265 1.00 10.00 C ATOM 0 H ALA B 43 -9.472 -3.666 -4.142 1.00 10.00 H new ATOM 0 HA ALA B 43 -6.853 -2.861 -3.542 1.00 10.00 H new ATOM 0 HB1 ALA B 43 -7.896 -1.986 -1.470 1.00 10.00 H new ATOM 0 HB2 ALA B 43 -8.865 -1.602 -2.912 1.00 10.00 H new ATOM 0 HB3 ALA B 43 -9.367 -2.921 -1.828 1.00 10.00 H new ATOM 1440 N LEU B 44 -7.953 -5.419 -1.771 1.00 10.00 N ATOM 1441 CA LEU B 44 -7.528 -6.511 -0.898 1.00 10.00 C ATOM 1442 C LEU B 44 -6.511 -7.408 -1.594 1.00 10.00 C ATOM 1443 O LEU B 44 -5.513 -7.810 -0.995 1.00 10.00 O ATOM 1444 CB LEU B 44 -8.734 -7.342 -0.455 1.00 10.00 C ATOM 1445 CG LEU B 44 -9.088 -7.233 1.028 1.00 10.00 C ATOM 1446 CD1 LEU B 44 -9.525 -5.819 1.378 1.00 10.00 C ATOM 1447 CD2 LEU B 44 -10.174 -8.230 1.387 1.00 10.00 C ATOM 0 H LEU B 44 -8.938 -5.450 -2.034 1.00 10.00 H new ATOM 0 HA LEU B 44 -7.055 -6.070 -0.020 1.00 10.00 H new ATOM 0 HB2 LEU B 44 -9.600 -7.038 -1.043 1.00 10.00 H new ATOM 0 HB3 LEU B 44 -8.540 -8.389 -0.690 1.00 10.00 H new ATOM 0 HG LEU B 44 -8.196 -7.466 1.610 1.00 10.00 H new ATOM 0 HD11 LEU B 44 -9.772 -5.766 2.438 1.00 10.00 H new ATOM 0 HD12 LEU B 44 -8.715 -5.123 1.159 1.00 10.00 H new ATOM 0 HD13 LEU B 44 -10.402 -5.553 0.788 1.00 10.00 H new ATOM 0 HD21 LEU B 44 -10.415 -8.140 2.446 1.00 10.00 H new ATOM 0 HD22 LEU B 44 -11.065 -8.026 0.794 1.00 10.00 H new ATOM 0 HD23 LEU B 44 -9.823 -9.241 1.179 1.00 10.00 H new ATOM 1459 N ASP B 45 -6.759 -7.705 -2.863 1.00 10.00 N ATOM 1460 CA ASP B 45 -5.862 -8.558 -3.647 1.00 10.00 C ATOM 1461 C ASP B 45 -4.499 -7.890 -3.839 1.00 10.00 C ATOM 1462 O ASP B 45 -3.475 -8.567 -3.965 1.00 10.00 O ATOM 1463 CB ASP B 45 -6.479 -8.881 -5.009 1.00 10.00 C ATOM 1464 CG ASP B 45 -5.624 -9.830 -5.821 1.00 10.00 C ATOM 1465 OD1 ASP B 45 -5.774 -11.064 -5.659 1.00 10.00 O ATOM 1466 OD2 ASP B 45 -4.803 -9.356 -6.629 1.00 10.00 O ATOM 0 H ASP B 45 -7.574 -7.369 -3.376 1.00 10.00 H new ATOM 0 HA ASP B 45 -5.719 -9.486 -3.094 1.00 10.00 H new ATOM 0 HB2 ASP B 45 -7.466 -9.321 -4.862 1.00 10.00 H new ATOM 0 HB3 ASP B 45 -6.622 -7.956 -5.568 1.00 10.00 H new ATOM 1471 N THR B 46 -4.494 -6.562 -3.839 1.00 10.00 N ATOM 1472 CA THR B 46 -3.268 -5.792 -4.018 1.00 10.00 C ATOM 1473 C THR B 46 -2.241 -6.111 -2.928 1.00 10.00 C ATOM 1474 O THR B 46 -1.044 -6.201 -3.204 1.00 10.00 O ATOM 1475 CB THR B 46 -3.565 -4.273 -4.029 1.00 10.00 C ATOM 1476 OG1 THR B 46 -4.482 -3.962 -5.090 1.00 10.00 O ATOM 1477 CG2 THR B 46 -2.288 -3.463 -4.214 1.00 10.00 C ATOM 0 H THR B 46 -5.331 -5.993 -3.716 1.00 10.00 H new ATOM 0 HA THR B 46 -2.847 -6.078 -4.982 1.00 10.00 H new ATOM 0 HB THR B 46 -4.006 -4.010 -3.068 1.00 10.00 H new ATOM 0 HG1 THR B 46 -5.370 -4.312 -4.868 1.00 10.00 H new ATOM 0 HG21 THR B 46 -2.529 -2.400 -4.218 1.00 10.00 H new ATOM 0 HG22 THR B 46 -1.600 -3.676 -3.396 1.00 10.00 H new ATOM 0 HG23 THR B 46 -1.820 -3.732 -5.161 1.00 10.00 H new ATOM 1485 N ILE B 47 -2.708 -6.307 -1.698 1.00 10.00 N ATOM 1486 CA ILE B 47 -1.806 -6.619 -0.596 1.00 10.00 C ATOM 1487 C ILE B 47 -1.828 -8.113 -0.285 1.00 10.00 C ATOM 1488 O ILE B 47 -1.200 -8.562 0.673 1.00 10.00 O ATOM 1489 CB ILE B 47 -2.143 -5.815 0.677 1.00 10.00 C ATOM 1490 CG1 ILE B 47 -3.498 -6.247 1.254 1.00 10.00 C ATOM 1491 CG2 ILE B 47 -2.137 -4.318 0.380 1.00 10.00 C ATOM 1492 CD1 ILE B 47 -3.690 -5.845 2.698 1.00 10.00 C ATOM 0 H ILE B 47 -3.694 -6.256 -1.442 1.00 10.00 H new ATOM 0 HA ILE B 47 -0.805 -6.332 -0.917 1.00 10.00 H new ATOM 0 HB ILE B 47 -1.377 -6.022 1.424 1.00 10.00 H new ATOM 0 HG12 ILE B 47 -4.296 -5.810 0.654 1.00 10.00 H new ATOM 0 HG13 ILE B 47 -3.592 -7.330 1.170 1.00 10.00 H new ATOM 0 HG21 ILE B 47 -2.377 -3.766 1.289 1.00 10.00 H new ATOM 0 HG22 ILE B 47 -1.150 -4.021 0.025 1.00 10.00 H new ATOM 0 HG23 ILE B 47 -2.880 -4.096 -0.386 1.00 10.00 H new ATOM 0 HD11 ILE B 47 -4.668 -6.181 3.042 1.00 10.00 H new ATOM 0 HD12 ILE B 47 -2.913 -6.303 3.310 1.00 10.00 H new ATOM 0 HD13 ILE B 47 -3.628 -4.760 2.785 1.00 10.00 H new ATOM 1504 N GLN B 48 -2.571 -8.859 -1.102 1.00 10.00 N ATOM 1505 CA GLN B 48 -2.714 -10.317 -0.978 1.00 10.00 C ATOM 1506 C GLN B 48 -3.554 -10.713 0.236 1.00 10.00 C ATOM 1507 O GLN B 48 -4.495 -11.495 0.100 1.00 10.00 O ATOM 1508 CB GLN B 48 -1.349 -11.016 -0.922 1.00 10.00 C ATOM 1509 CG GLN B 48 -1.210 -12.191 -1.885 1.00 10.00 C ATOM 1510 CD GLN B 48 -2.102 -13.367 -1.530 1.00 10.00 C ATOM 1511 OE1 GLN B 48 -2.396 -13.615 -0.362 1.00 10.00 O ATOM 1512 NE2 GLN B 48 -2.530 -14.109 -2.538 1.00 10.00 N ATOM 0 H GLN B 48 -3.100 -8.466 -1.881 1.00 10.00 H new ATOM 0 HA GLN B 48 -3.239 -10.650 -1.874 1.00 10.00 H new ATOM 0 HB2 GLN B 48 -0.570 -10.286 -1.142 1.00 10.00 H new ATOM 0 HB3 GLN B 48 -1.176 -11.371 0.094 1.00 10.00 H new ATOM 0 HG2 GLN B 48 -1.448 -11.855 -2.894 1.00 10.00 H new ATOM 0 HG3 GLN B 48 -0.171 -12.522 -1.896 1.00 10.00 H new ATOM 0 HE21 GLN B 48 -2.265 -13.872 -3.494 1.00 10.00 H new ATOM 0 HE22 GLN B 48 -3.125 -14.918 -2.359 1.00 10.00 H new ATOM 1521 N TYR B 49 -3.210 -10.184 1.409 1.00 10.00 N ATOM 1522 CA TYR B 49 -3.930 -10.490 2.650 1.00 10.00 C ATOM 1523 C TYR B 49 -5.426 -10.219 2.509 1.00 10.00 C ATOM 1524 O TYR B 49 -5.874 -9.076 2.597 1.00 10.00 O ATOM 1525 CB TYR B 49 -3.378 -9.664 3.817 1.00 10.00 C ATOM 1526 CG TYR B 49 -1.900 -9.857 4.075 1.00 10.00 C ATOM 1527 CD1 TYR B 49 -1.431 -10.968 4.765 1.00 10.00 C ATOM 1528 CD2 TYR B 49 -0.973 -8.922 3.632 1.00 10.00 C ATOM 1529 CE1 TYR B 49 -0.082 -11.141 5.005 1.00 10.00 C ATOM 1530 CE2 TYR B 49 0.376 -9.090 3.868 1.00 10.00 C ATOM 1531 CZ TYR B 49 0.815 -10.200 4.551 1.00 10.00 C ATOM 1532 OH TYR B 49 2.161 -10.369 4.781 1.00 10.00 O ATOM 0 H TYR B 49 -2.431 -9.536 1.529 1.00 10.00 H new ATOM 0 HA TYR B 49 -3.782 -11.551 2.853 1.00 10.00 H new ATOM 0 HB2 TYR B 49 -3.565 -8.608 3.620 1.00 10.00 H new ATOM 0 HB3 TYR B 49 -3.929 -9.922 4.721 1.00 10.00 H new ATOM 0 HD1 TYR B 49 -2.133 -11.708 5.119 1.00 10.00 H new ATOM 0 HD2 TYR B 49 -1.314 -8.050 3.094 1.00 10.00 H new ATOM 0 HE1 TYR B 49 0.267 -12.009 5.545 1.00 10.00 H new ATOM 0 HE2 TYR B 49 1.084 -8.353 3.518 1.00 10.00 H new ATOM 0 HH TYR B 49 2.661 -9.651 4.340 1.00 10.00 H new ATOM 1542 N SER B 50 -6.192 -11.276 2.284 1.00 10.00 N ATOM 1543 CA SER B 50 -7.633 -11.149 2.129 1.00 10.00 C ATOM 1544 C SER B 50 -8.358 -11.882 3.249 1.00 10.00 C ATOM 1545 O SER B 50 -9.410 -11.445 3.718 1.00 10.00 O ATOM 1546 CB SER B 50 -8.065 -11.714 0.775 1.00 10.00 C ATOM 1547 OG SER B 50 -7.185 -11.300 -0.257 1.00 10.00 O ATOM 0 H SER B 50 -5.840 -12.230 2.205 1.00 10.00 H new ATOM 0 HA SER B 50 -7.894 -10.092 2.177 1.00 10.00 H new ATOM 0 HB2 SER B 50 -8.087 -12.803 0.823 1.00 10.00 H new ATOM 0 HB3 SER B 50 -9.078 -11.384 0.547 1.00 10.00 H new ATOM 0 HG SER B 50 -6.271 -11.578 -0.039 1.00 10.00 H new ATOM 1553 N LYS B 51 -7.790 -12.999 3.674 1.00 10.00 N ATOM 1554 CA LYS B 51 -8.378 -13.797 4.733 1.00 10.00 C ATOM 1555 C LYS B 51 -7.775 -13.416 6.079 1.00 10.00 C ATOM 1556 O LYS B 51 -8.442 -12.812 6.920 1.00 10.00 O ATOM 1557 CB LYS B 51 -8.170 -15.287 4.456 1.00 10.00 C ATOM 1558 CG LYS B 51 -8.718 -15.734 3.110 1.00 10.00 C ATOM 1559 CD LYS B 51 -8.293 -17.153 2.770 1.00 10.00 C ATOM 1560 CE LYS B 51 -8.907 -18.170 3.719 1.00 10.00 C ATOM 1561 NZ LYS B 51 -8.585 -19.565 3.322 1.00 10.00 N ATOM 0 H LYS B 51 -6.919 -13.373 3.299 1.00 10.00 H new ATOM 0 HA LYS B 51 -9.449 -13.598 4.764 1.00 10.00 H new ATOM 0 HB2 LYS B 51 -7.104 -15.511 4.498 1.00 10.00 H new ATOM 0 HB3 LYS B 51 -8.649 -15.866 5.245 1.00 10.00 H new ATOM 0 HG2 LYS B 51 -9.806 -15.674 3.123 1.00 10.00 H new ATOM 0 HG3 LYS B 51 -8.370 -15.054 2.332 1.00 10.00 H new ATOM 0 HD2 LYS B 51 -8.589 -17.386 1.747 1.00 10.00 H new ATOM 0 HD3 LYS B 51 -7.206 -17.227 2.812 1.00 10.00 H new ATOM 0 HE2 LYS B 51 -8.544 -17.988 4.730 1.00 10.00 H new ATOM 0 HE3 LYS B 51 -9.989 -18.039 3.740 1.00 10.00 H new ATOM 0 HZ1 LYS B 51 -9.022 -20.227 3.994 1.00 10.00 H new ATOM 0 HZ2 LYS B 51 -8.954 -19.748 2.367 1.00 10.00 H new ATOM 0 HZ3 LYS B 51 -7.554 -19.698 3.326 1.00 10.00 H new ATOM 1575 N HIS B 52 -6.508 -13.749 6.265 1.00 10.00 N ATOM 1576 CA HIS B 52 -5.804 -13.448 7.502 1.00 10.00 C ATOM 1577 C HIS B 52 -4.303 -13.564 7.289 1.00 10.00 C ATOM 1578 O HIS B 52 -3.581 -12.593 7.592 1.00 10.00 O ATOM 1579 CB HIS B 52 -6.255 -14.397 8.622 1.00 10.00 C ATOM 1580 CG HIS B 52 -5.567 -14.156 9.929 1.00 10.00 C ATOM 1581 ND1 HIS B 52 -5.033 -15.169 10.694 1.00 10.00 N ATOM 1582 CD2 HIS B 52 -5.325 -13.009 10.608 1.00 10.00 C ATOM 1583 CE1 HIS B 52 -4.490 -14.659 11.781 1.00 10.00 C ATOM 1584 NE2 HIS B 52 -4.652 -13.351 11.753 1.00 10.00 N ATOM 1585 OXT HIS B 52 -3.853 -14.626 6.815 1.00 10.00 O ATOM 0 H HIS B 52 -5.941 -14.232 5.568 1.00 10.00 H new ATOM 0 HA HIS B 52 -6.042 -12.426 7.798 1.00 10.00 H new ATOM 0 HB2 HIS B 52 -7.331 -14.293 8.763 1.00 10.00 H new ATOM 0 HB3 HIS B 52 -6.073 -15.425 8.310 1.00 10.00 H new ATOM 0 HD2 HIS B 52 -5.609 -12.012 10.305 1.00 10.00 H new ATOM 0 HE1 HIS B 52 -3.996 -15.218 12.562 1.00 10.00 H new ATOM 0 HE2 HIS B 52 -4.329 -12.699 12.468 1.00 10.00 H new TER 1594 HIS B 52