USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 739 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 78 THR OG1 : rot -73:sc= 0.0335 USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.0325 USER MOD Set 2.1: A 43 ASN :FLIP amide:sc= -1.33! C(o=-1.4!,f=-0.37!) USER MOD Set 2.2: A 45 THR OG1 : rot -37:sc= 0.957 USER MOD Set 3.1: A 29 CYS SG : rot -109:sc= 1.29 USER MOD Set 3.2: A 79 CYS SG : rot -166:sc= 1.24 USER MOD Set 4.1: A 24 MET CE :methyl -127:sc= 0 (180deg=0) USER MOD Set 4.2: A 65 ASN : amide:sc= -1.91! C(o=-1.9!,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 149:sc= 0 (180deg=-0.31) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 7:sc= 0.713 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0183 (180deg=-0.182) USER MOD Single : A 31 THR OG1 : rot 2:sc= 0.257 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -76:sc= 1.17 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -150:sc= 0.0533 USER MOD Single : A 53 HIS : no HD1:sc= -0.746 K(o=-0.75,f=-4.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00838 K(o=-0.0084,f=-4.8!) USER MOD Single : A 63 THR OG1 : rot 19:sc= 0.185 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -8.29! C(o=-9!,f=-8.3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.829 USER MOD Single : A 77 TYR OH : rot -17:sc= 1.25 USER MOD Single : A 80 MET CE :methyl 161:sc= -5.2! (180deg=-5.98!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.747 K(o=-0.75,f=-11!) USER MOD Single : A 87 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.5!) USER MOD Single : A 88 SER OG : rot -170:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.413 K(o=-0.41,f=-4.5!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.539 K(o=-0.54,f=-4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.826 16.388 -13.343 1.00 0.00 N ATOM 2 CA GLY A 1 22.310 15.610 -14.454 1.00 0.00 C ATOM 3 C GLY A 1 21.466 14.437 -13.997 1.00 0.00 C ATOM 4 O GLY A 1 21.995 13.412 -13.568 1.00 0.00 O ATOM 0 H1 GLY A 1 23.396 17.178 -13.707 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.033 16.762 -12.784 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.419 15.782 -12.741 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.712 16.255 -15.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.142 15.243 -15.054 1.00 0.00 H new ATOM 8 N SER A 2 20.148 14.588 -14.088 1.00 0.00 N ATOM 9 CA SER A 2 19.228 13.534 -13.675 1.00 0.00 C ATOM 10 C SER A 2 18.159 13.299 -14.738 1.00 0.00 C ATOM 11 O SER A 2 17.044 13.809 -14.635 1.00 0.00 O ATOM 12 CB SER A 2 18.568 13.897 -12.343 1.00 0.00 C ATOM 13 OG SER A 2 19.395 13.537 -11.249 1.00 0.00 O ATOM 0 H SER A 2 19.694 15.429 -14.444 1.00 0.00 H new ATOM 0 HA SER A 2 19.800 12.615 -13.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.366 14.968 -12.313 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.607 13.389 -12.259 1.00 0.00 H new ATOM 0 HG SER A 2 18.952 13.781 -10.410 1.00 0.00 H new ATOM 19 N SER A 3 18.509 12.523 -15.758 1.00 0.00 N ATOM 20 CA SER A 3 17.582 12.223 -16.843 1.00 0.00 C ATOM 21 C SER A 3 17.021 10.811 -16.703 1.00 0.00 C ATOM 22 O SER A 3 17.581 9.976 -15.994 1.00 0.00 O ATOM 23 CB SER A 3 18.281 12.374 -18.196 1.00 0.00 C ATOM 24 OG SER A 3 19.445 11.570 -18.262 1.00 0.00 O ATOM 0 H SER A 3 19.428 12.090 -15.856 1.00 0.00 H new ATOM 0 HA SER A 3 16.755 12.931 -16.788 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.596 12.093 -18.996 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.547 13.419 -18.356 1.00 0.00 H new ATOM 0 HG SER A 3 19.872 11.683 -19.137 1.00 0.00 H new ATOM 30 N GLY A 4 15.910 10.552 -17.386 1.00 0.00 N ATOM 31 CA GLY A 4 15.291 9.241 -17.325 1.00 0.00 C ATOM 32 C GLY A 4 14.792 8.899 -15.935 1.00 0.00 C ATOM 33 O GLY A 4 14.126 9.710 -15.291 1.00 0.00 O ATOM 0 H GLY A 4 15.428 11.226 -17.980 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.457 9.203 -18.026 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.011 8.488 -17.645 1.00 0.00 H new ATOM 37 N SER A 5 15.111 7.695 -15.472 1.00 0.00 N ATOM 38 CA SER A 5 14.686 7.246 -14.151 1.00 0.00 C ATOM 39 C SER A 5 15.703 6.281 -13.552 1.00 0.00 C ATOM 40 O SER A 5 15.922 5.188 -14.076 1.00 0.00 O ATOM 41 CB SER A 5 13.315 6.573 -14.236 1.00 0.00 C ATOM 42 OG SER A 5 12.324 7.487 -14.673 1.00 0.00 O ATOM 0 H SER A 5 15.662 7.012 -15.992 1.00 0.00 H new ATOM 0 HA SER A 5 14.615 8.119 -13.502 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.363 5.728 -14.923 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.041 6.174 -13.259 1.00 0.00 H new ATOM 0 HG SER A 5 11.457 7.032 -14.721 1.00 0.00 H new ATOM 48 N SER A 6 16.322 6.692 -12.450 1.00 0.00 N ATOM 49 CA SER A 6 17.320 5.866 -11.780 1.00 0.00 C ATOM 50 C SER A 6 17.126 5.900 -10.267 1.00 0.00 C ATOM 51 O SER A 6 17.282 6.943 -9.633 1.00 0.00 O ATOM 52 CB SER A 6 18.729 6.342 -12.136 1.00 0.00 C ATOM 53 OG SER A 6 19.148 5.810 -13.381 1.00 0.00 O ATOM 0 H SER A 6 16.150 7.592 -12.002 1.00 0.00 H new ATOM 0 HA SER A 6 17.194 4.839 -12.122 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.749 7.431 -12.177 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.426 6.040 -11.355 1.00 0.00 H new ATOM 0 HG SER A 6 20.051 6.131 -13.587 1.00 0.00 H new ATOM 59 N GLY A 7 16.785 4.749 -9.694 1.00 0.00 N ATOM 60 CA GLY A 7 16.575 4.668 -8.260 1.00 0.00 C ATOM 61 C GLY A 7 16.721 3.255 -7.732 1.00 0.00 C ATOM 62 O GLY A 7 17.356 2.401 -8.350 1.00 0.00 O ATOM 0 H GLY A 7 16.651 3.872 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.289 5.317 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.579 5.041 -8.020 1.00 0.00 H new ATOM 66 N PRO A 8 16.123 2.992 -6.561 1.00 0.00 N ATOM 67 CA PRO A 8 16.176 1.674 -5.923 1.00 0.00 C ATOM 68 C PRO A 8 15.365 0.629 -6.682 1.00 0.00 C ATOM 69 O PRO A 8 14.979 0.844 -7.832 1.00 0.00 O ATOM 70 CB PRO A 8 15.566 1.923 -4.541 1.00 0.00 C ATOM 71 CG PRO A 8 14.683 3.108 -4.725 1.00 0.00 C ATOM 72 CD PRO A 8 15.348 3.963 -5.769 1.00 0.00 C ATOM 0 HA PRO A 8 17.191 1.278 -5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.000 1.057 -4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.338 2.116 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.686 2.806 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.565 3.655 -3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.617 4.490 -6.382 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.991 4.719 -5.319 1.00 0.00 H new ATOM 80 N PHE A 9 15.109 -0.502 -6.033 1.00 0.00 N ATOM 81 CA PHE A 9 14.344 -1.580 -6.648 1.00 0.00 C ATOM 82 C PHE A 9 12.896 -1.156 -6.879 1.00 0.00 C ATOM 83 O PHE A 9 12.240 -1.631 -7.807 1.00 0.00 O ATOM 84 CB PHE A 9 14.386 -2.831 -5.768 1.00 0.00 C ATOM 85 CG PHE A 9 15.706 -3.547 -5.808 1.00 0.00 C ATOM 86 CD1 PHE A 9 16.836 -2.979 -5.242 1.00 0.00 C ATOM 87 CD2 PHE A 9 15.816 -4.790 -6.412 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.051 -3.636 -5.279 1.00 0.00 C ATOM 89 CE2 PHE A 9 17.029 -5.452 -6.451 1.00 0.00 C ATOM 90 CZ PHE A 9 18.147 -4.875 -5.883 1.00 0.00 C ATOM 0 H PHE A 9 15.420 -0.696 -5.081 1.00 0.00 H new ATOM 0 HA PHE A 9 14.797 -1.808 -7.613 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.166 -2.549 -4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 9 13.600 -3.516 -6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.766 -2.012 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 9 14.944 -5.246 -6.857 1.00 0.00 H new ATOM 0 HE1 PHE A 9 18.925 -3.181 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 9 17.102 -6.420 -6.925 1.00 0.00 H new ATOM 0 HZ PHE A 9 19.095 -5.391 -5.911 1.00 0.00 H new ATOM 100 N ILE A 10 12.405 -0.261 -6.029 1.00 0.00 N ATOM 101 CA ILE A 10 11.036 0.227 -6.141 1.00 0.00 C ATOM 102 C ILE A 10 10.880 1.159 -7.337 1.00 0.00 C ATOM 103 O ILE A 10 11.196 2.345 -7.258 1.00 0.00 O ATOM 104 CB ILE A 10 10.597 0.970 -4.865 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.710 0.049 -3.648 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.174 1.486 -5.015 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.503 0.762 -2.330 1.00 0.00 C ATOM 0 H ILE A 10 12.934 0.141 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 10 10.400 -0.647 -6.280 1.00 0.00 H new ATOM 0 HB ILE A 10 11.258 1.824 -4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.975 -0.751 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.694 -0.420 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.879 2.009 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.123 2.172 -5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.499 0.648 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.597 0.048 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.254 1.544 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.509 1.208 -2.310 1.00 0.00 H new ATOM 119 N MET A 11 10.390 0.613 -8.446 1.00 0.00 N ATOM 120 CA MET A 11 10.189 1.397 -9.659 1.00 0.00 C ATOM 121 C MET A 11 9.369 2.650 -9.367 1.00 0.00 C ATOM 122 O MET A 11 9.694 3.740 -9.839 1.00 0.00 O ATOM 123 CB MET A 11 9.491 0.554 -10.727 1.00 0.00 C ATOM 124 CG MET A 11 10.213 -0.746 -11.043 1.00 0.00 C ATOM 125 SD MET A 11 11.884 -0.478 -11.665 1.00 0.00 S ATOM 126 CE MET A 11 12.673 -2.015 -11.190 1.00 0.00 C ATOM 0 H MET A 11 10.125 -0.368 -8.529 1.00 0.00 H new ATOM 0 HA MET A 11 11.167 1.703 -10.030 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.479 0.326 -10.394 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.401 1.142 -11.641 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.258 -1.360 -10.144 1.00 0.00 H new ATOM 0 HG3 MET A 11 9.640 -1.305 -11.782 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.452 -2.263 -11.912 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.117 -1.905 -10.201 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.931 -2.813 -11.168 1.00 0.00 H new ATOM 136 N ASP A 12 8.306 2.487 -8.587 1.00 0.00 N ATOM 137 CA ASP A 12 7.440 3.606 -8.232 1.00 0.00 C ATOM 138 C ASP A 12 7.119 3.592 -6.741 1.00 0.00 C ATOM 139 O ASP A 12 6.793 2.549 -6.175 1.00 0.00 O ATOM 140 CB ASP A 12 6.146 3.554 -9.046 1.00 0.00 C ATOM 141 CG ASP A 12 5.544 4.928 -9.263 1.00 0.00 C ATOM 142 OD1 ASP A 12 5.393 5.673 -8.273 1.00 0.00 O ATOM 143 OD2 ASP A 12 5.222 5.259 -10.424 1.00 0.00 O ATOM 0 H ASP A 12 8.023 1.592 -8.189 1.00 0.00 H new ATOM 0 HA ASP A 12 7.968 4.531 -8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.346 3.091 -10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.423 2.920 -8.533 1.00 0.00 H new ATOM 148 N ALA A 13 7.216 4.758 -6.110 1.00 0.00 N ATOM 149 CA ALA A 13 6.935 4.881 -4.685 1.00 0.00 C ATOM 150 C ALA A 13 5.521 5.401 -4.446 1.00 0.00 C ATOM 151 O ALA A 13 5.006 6.234 -5.193 1.00 0.00 O ATOM 152 CB ALA A 13 7.955 5.795 -4.023 1.00 0.00 C ATOM 0 H ALA A 13 7.487 5.631 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 13 7.009 3.889 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.733 5.878 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.954 5.380 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.910 6.783 -4.481 1.00 0.00 H new ATOM 158 N PRO A 14 4.877 4.899 -3.382 1.00 0.00 N ATOM 159 CA PRO A 14 3.514 5.300 -3.021 1.00 0.00 C ATOM 160 C PRO A 14 3.447 6.734 -2.509 1.00 0.00 C ATOM 161 O PRO A 14 4.258 7.144 -1.678 1.00 0.00 O ATOM 162 CB PRO A 14 3.138 4.316 -1.910 1.00 0.00 C ATOM 163 CG PRO A 14 4.440 3.899 -1.318 1.00 0.00 C ATOM 164 CD PRO A 14 5.430 3.903 -2.449 1.00 0.00 C ATOM 0 HA PRO A 14 2.841 5.274 -3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.497 4.786 -1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.591 3.461 -2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.747 4.585 -0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.365 2.909 -0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.428 4.181 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.514 2.920 -2.913 1.00 0.00 H new ATOM 172 N ARG A 15 2.477 7.492 -3.009 1.00 0.00 N ATOM 173 CA ARG A 15 2.306 8.881 -2.601 1.00 0.00 C ATOM 174 C ARG A 15 0.975 9.076 -1.880 1.00 0.00 C ATOM 175 O ARG A 15 0.021 8.332 -2.106 1.00 0.00 O ATOM 176 CB ARG A 15 2.378 9.805 -3.819 1.00 0.00 C ATOM 177 CG ARG A 15 2.567 11.270 -3.461 1.00 0.00 C ATOM 178 CD ARG A 15 2.123 12.182 -4.595 1.00 0.00 C ATOM 179 NE ARG A 15 3.210 12.463 -5.529 1.00 0.00 N ATOM 180 CZ ARG A 15 4.181 13.337 -5.285 1.00 0.00 C ATOM 181 NH1 ARG A 15 4.199 14.011 -4.143 1.00 0.00 N ATOM 182 NH2 ARG A 15 5.135 13.538 -6.185 1.00 0.00 N ATOM 0 H ARG A 15 1.798 7.168 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 15 3.113 9.133 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.202 9.487 -4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.463 9.697 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.997 11.502 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.616 11.457 -3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.296 11.717 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.749 13.119 -4.182 1.00 0.00 H new ATOM 0 HE ARG A 15 3.225 11.961 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.467 13.859 -3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.945 14.681 -3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.123 13.022 -7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.880 14.209 -5.997 1.00 0.00 H new ATOM 196 N ASP A 16 0.920 10.081 -1.012 1.00 0.00 N ATOM 197 CA ASP A 16 -0.293 10.374 -0.258 1.00 0.00 C ATOM 198 C ASP A 16 -1.524 10.283 -1.154 1.00 0.00 C ATOM 199 O ASP A 16 -1.474 10.631 -2.334 1.00 0.00 O ATOM 200 CB ASP A 16 -0.205 11.766 0.369 1.00 0.00 C ATOM 201 CG ASP A 16 -1.566 12.412 0.540 1.00 0.00 C ATOM 202 OD1 ASP A 16 -2.338 11.949 1.406 1.00 0.00 O ATOM 203 OD2 ASP A 16 -1.858 13.380 -0.192 1.00 0.00 O ATOM 0 H ASP A 16 1.701 10.706 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.387 9.632 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.284 11.693 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.421 12.404 -0.256 1.00 0.00 H new ATOM 208 N LEU A 17 -2.629 9.813 -0.585 1.00 0.00 N ATOM 209 CA LEU A 17 -3.875 9.676 -1.332 1.00 0.00 C ATOM 210 C LEU A 17 -5.071 10.077 -0.475 1.00 0.00 C ATOM 211 O LEU A 17 -5.207 9.635 0.665 1.00 0.00 O ATOM 212 CB LEU A 17 -4.043 8.236 -1.820 1.00 0.00 C ATOM 213 CG LEU A 17 -5.390 7.897 -2.461 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.479 8.489 -3.859 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.596 6.390 -2.503 1.00 0.00 C ATOM 0 H LEU A 17 -2.688 9.521 0.390 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.829 10.343 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.256 8.025 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.887 7.566 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.181 8.335 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.444 8.238 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.377 9.573 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.680 8.081 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.559 6.167 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.800 5.930 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.577 5.992 -1.489 1.00 0.00 H new ATOM 227 N ASN A 18 -5.937 10.917 -1.033 1.00 0.00 N ATOM 228 CA ASN A 18 -7.123 11.377 -0.320 1.00 0.00 C ATOM 229 C ASN A 18 -8.386 10.750 -0.904 1.00 0.00 C ATOM 230 O ASN A 18 -8.824 11.113 -1.996 1.00 0.00 O ATOM 231 CB ASN A 18 -7.222 12.903 -0.384 1.00 0.00 C ATOM 232 CG ASN A 18 -5.877 13.577 -0.196 1.00 0.00 C ATOM 233 OD1 ASN A 18 -5.230 13.420 0.840 1.00 0.00 O ATOM 234 ND2 ASN A 18 -5.450 14.334 -1.200 1.00 0.00 N ATOM 0 H ASN A 18 -5.840 11.293 -1.976 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.033 11.068 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.642 13.197 -1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.911 13.252 0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.553 14.814 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.019 14.436 -2.040 1.00 0.00 H new ATOM 241 N ILE A 19 -8.966 9.808 -0.168 1.00 0.00 N ATOM 242 CA ILE A 19 -10.179 9.132 -0.612 1.00 0.00 C ATOM 243 C ILE A 19 -11.260 9.181 0.463 1.00 0.00 C ATOM 244 O ILE A 19 -10.975 9.431 1.634 1.00 0.00 O ATOM 245 CB ILE A 19 -9.902 7.662 -0.978 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.113 7.053 -1.687 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.555 6.862 0.269 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.759 5.915 -2.619 1.00 0.00 C ATOM 0 H ILE A 19 -8.616 9.496 0.738 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.528 9.660 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.051 7.627 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.819 6.693 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.621 7.832 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.362 5.825 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.666 7.285 0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.388 6.902 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.666 5.532 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.077 6.275 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.278 5.117 -2.053 1.00 0.00 H new ATOM 260 N SER A 20 -12.502 8.941 0.056 1.00 0.00 N ATOM 261 CA SER A 20 -13.627 8.960 0.983 1.00 0.00 C ATOM 262 C SER A 20 -13.852 7.580 1.593 1.00 0.00 C ATOM 263 O SER A 20 -13.277 6.590 1.143 1.00 0.00 O ATOM 264 CB SER A 20 -14.897 9.427 0.268 1.00 0.00 C ATOM 265 OG SER A 20 -15.842 9.942 1.190 1.00 0.00 O ATOM 0 H SER A 20 -12.755 8.731 -0.910 1.00 0.00 H new ATOM 0 HA SER A 20 -13.392 9.659 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.644 10.193 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.336 8.594 -0.281 1.00 0.00 H new ATOM 0 HG SER A 20 -15.437 9.989 2.081 1.00 0.00 H new ATOM 271 N GLU A 21 -14.693 7.524 2.621 1.00 0.00 N ATOM 272 CA GLU A 21 -14.993 6.266 3.294 1.00 0.00 C ATOM 273 C GLU A 21 -15.916 5.400 2.441 1.00 0.00 C ATOM 274 O GLU A 21 -16.863 5.895 1.832 1.00 0.00 O ATOM 275 CB GLU A 21 -15.640 6.532 4.655 1.00 0.00 C ATOM 276 CG GLU A 21 -16.061 5.268 5.386 1.00 0.00 C ATOM 277 CD GLU A 21 -17.133 5.526 6.427 1.00 0.00 C ATOM 278 OE1 GLU A 21 -18.269 5.866 6.036 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.836 5.387 7.632 1.00 0.00 O ATOM 0 H GLU A 21 -15.178 8.335 3.006 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.055 5.731 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.939 7.086 5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.514 7.168 4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.430 4.540 4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.190 4.825 5.869 1.00 0.00 H new ATOM 286 N GLY A 22 -15.630 4.101 2.403 1.00 0.00 N ATOM 287 CA GLY A 22 -16.442 3.186 1.622 1.00 0.00 C ATOM 288 C GLY A 22 -16.185 3.309 0.133 1.00 0.00 C ATOM 289 O GLY A 22 -17.112 3.225 -0.673 1.00 0.00 O ATOM 0 H GLY A 22 -14.851 3.667 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.239 2.163 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.496 3.378 1.823 1.00 0.00 H new ATOM 293 N ARG A 23 -14.923 3.511 -0.233 1.00 0.00 N ATOM 294 CA ARG A 23 -14.548 3.649 -1.635 1.00 0.00 C ATOM 295 C ARG A 23 -13.297 2.833 -1.946 1.00 0.00 C ATOM 296 O ARG A 23 -12.583 2.404 -1.040 1.00 0.00 O ATOM 297 CB ARG A 23 -14.308 5.120 -1.979 1.00 0.00 C ATOM 298 CG ARG A 23 -15.531 6.000 -1.775 1.00 0.00 C ATOM 299 CD ARG A 23 -15.532 7.183 -2.731 1.00 0.00 C ATOM 300 NE ARG A 23 -16.643 8.094 -2.473 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.127 8.938 -3.378 1.00 0.00 C ATOM 302 NH1 ARG A 23 -16.600 8.985 -4.593 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.141 9.736 -3.067 1.00 0.00 N ATOM 0 H ARG A 23 -14.144 3.583 0.421 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.369 3.270 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.491 5.499 -1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.987 5.194 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.435 5.409 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.553 6.362 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.590 7.724 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.592 6.820 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.071 8.082 -1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.821 8.372 -4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.973 9.634 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.549 9.702 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.512 10.384 -3.762 1.00 0.00 H new ATOM 317 N MET A 24 -13.038 2.623 -3.232 1.00 0.00 N ATOM 318 CA MET A 24 -11.872 1.859 -3.662 1.00 0.00 C ATOM 319 C MET A 24 -10.626 2.737 -3.688 1.00 0.00 C ATOM 320 O MET A 24 -10.642 3.838 -4.238 1.00 0.00 O ATOM 321 CB MET A 24 -12.114 1.254 -5.046 1.00 0.00 C ATOM 322 CG MET A 24 -11.370 -0.051 -5.278 1.00 0.00 C ATOM 323 SD MET A 24 -12.084 -1.029 -6.614 1.00 0.00 S ATOM 324 CE MET A 24 -11.266 -2.601 -6.357 1.00 0.00 C ATOM 0 H MET A 24 -13.619 2.971 -3.995 1.00 0.00 H new ATOM 0 HA MET A 24 -11.712 1.054 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.182 1.082 -5.176 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.812 1.975 -5.806 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.327 0.166 -5.509 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.378 -0.638 -4.359 1.00 0.00 H new ATOM 0 HE1 MET A 24 -10.795 -2.922 -7.286 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.506 -2.494 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 24 -11.998 -3.346 -6.045 1.00 0.00 H new ATOM 334 N ALA A 25 -9.546 2.244 -3.090 1.00 0.00 N ATOM 335 CA ALA A 25 -8.291 2.984 -3.047 1.00 0.00 C ATOM 336 C ALA A 25 -7.122 2.107 -3.481 1.00 0.00 C ATOM 337 O ALA A 25 -7.197 0.880 -3.416 1.00 0.00 O ATOM 338 CB ALA A 25 -8.050 3.533 -1.649 1.00 0.00 C ATOM 0 H ALA A 25 -9.515 1.335 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.365 3.818 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.109 4.083 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.866 4.201 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.001 2.708 -0.938 1.00 0.00 H new ATOM 344 N GLU A 26 -6.042 2.744 -3.924 1.00 0.00 N ATOM 345 CA GLU A 26 -4.858 2.020 -4.370 1.00 0.00 C ATOM 346 C GLU A 26 -3.597 2.849 -4.145 1.00 0.00 C ATOM 347 O GLU A 26 -3.621 4.076 -4.240 1.00 0.00 O ATOM 348 CB GLU A 26 -4.984 1.655 -5.851 1.00 0.00 C ATOM 349 CG GLU A 26 -6.235 0.857 -6.177 1.00 0.00 C ATOM 350 CD GLU A 26 -6.260 0.373 -7.614 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.231 -0.162 -8.078 1.00 0.00 O ATOM 352 OE2 GLU A 26 -7.307 0.530 -8.275 1.00 0.00 O ATOM 0 H GLU A 26 -5.963 3.759 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.780 1.105 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.982 2.570 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.108 1.080 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.299 -0.001 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.114 1.474 -5.990 1.00 0.00 H new ATOM 359 N LEU A 27 -2.495 2.169 -3.844 1.00 0.00 N ATOM 360 CA LEU A 27 -1.223 2.841 -3.604 1.00 0.00 C ATOM 361 C LEU A 27 -0.237 2.561 -4.734 1.00 0.00 C ATOM 362 O LEU A 27 -0.038 1.411 -5.128 1.00 0.00 O ATOM 363 CB LEU A 27 -0.629 2.388 -2.269 1.00 0.00 C ATOM 364 CG LEU A 27 -1.116 3.139 -1.029 1.00 0.00 C ATOM 365 CD1 LEU A 27 -0.916 2.293 0.219 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.393 4.471 -0.894 1.00 0.00 C ATOM 0 H LEU A 27 -2.457 1.153 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.408 3.914 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.849 1.329 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.455 2.484 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.182 3.337 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.268 2.843 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.479 1.365 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.143 2.064 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.752 4.992 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.679 4.296 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.587 5.081 -1.776 1.00 0.00 H new ATOM 378 N LYS A 28 0.379 3.618 -5.250 1.00 0.00 N ATOM 379 CA LYS A 28 1.348 3.487 -6.332 1.00 0.00 C ATOM 380 C LYS A 28 2.630 2.824 -5.838 1.00 0.00 C ATOM 381 O LYS A 28 3.446 3.455 -5.164 1.00 0.00 O ATOM 382 CB LYS A 28 1.668 4.861 -6.926 1.00 0.00 C ATOM 383 CG LYS A 28 0.548 5.430 -7.780 1.00 0.00 C ATOM 384 CD LYS A 28 0.497 4.767 -9.147 1.00 0.00 C ATOM 385 CE LYS A 28 1.627 5.250 -10.043 1.00 0.00 C ATOM 386 NZ LYS A 28 1.434 6.665 -10.466 1.00 0.00 N ATOM 0 H LYS A 28 0.225 4.576 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 28 0.909 2.856 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.885 5.557 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.572 4.785 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.406 5.290 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.691 6.504 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.561 3.685 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.461 4.981 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.575 5.155 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.689 4.613 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.068 6.879 -11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.447 6.807 -10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.652 7.298 -9.670 1.00 0.00 H new ATOM 400 N CYS A 29 2.800 1.552 -6.177 1.00 0.00 N ATOM 401 CA CYS A 29 3.984 0.804 -5.768 1.00 0.00 C ATOM 402 C CYS A 29 4.229 -0.378 -6.700 1.00 0.00 C ATOM 403 O CYS A 29 3.345 -1.207 -6.914 1.00 0.00 O ATOM 404 CB CYS A 29 3.829 0.310 -4.329 1.00 0.00 C ATOM 405 SG CYS A 29 5.127 -0.831 -3.795 1.00 0.00 S ATOM 0 H CYS A 29 2.134 1.016 -6.734 1.00 0.00 H new ATOM 0 HA CYS A 29 4.843 1.473 -5.825 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.819 1.171 -3.660 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.862 -0.183 -4.228 1.00 0.00 H new ATOM 0 HG CYS A 29 4.634 -2.029 -3.685 1.00 0.00 H new ATOM 411 N ARG A 30 5.435 -0.448 -7.254 1.00 0.00 N ATOM 412 CA ARG A 30 5.796 -1.526 -8.166 1.00 0.00 C ATOM 413 C ARG A 30 7.106 -2.183 -7.741 1.00 0.00 C ATOM 414 O ARG A 30 8.082 -1.501 -7.426 1.00 0.00 O ATOM 415 CB ARG A 30 5.921 -0.994 -9.595 1.00 0.00 C ATOM 416 CG ARG A 30 4.590 -0.609 -10.219 1.00 0.00 C ATOM 417 CD ARG A 30 4.781 0.307 -11.418 1.00 0.00 C ATOM 418 NE ARG A 30 3.562 1.040 -11.748 1.00 0.00 N ATOM 419 CZ ARG A 30 2.508 0.486 -12.337 1.00 0.00 C ATOM 420 NH1 ARG A 30 2.525 -0.800 -12.659 1.00 0.00 N ATOM 421 NH2 ARG A 30 1.434 1.218 -12.605 1.00 0.00 N ATOM 0 H ARG A 30 6.179 0.230 -7.087 1.00 0.00 H new ATOM 0 HA ARG A 30 5.006 -2.276 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.577 -0.124 -9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.398 -1.752 -10.216 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.058 -1.509 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.968 -0.111 -9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.584 1.014 -11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.093 -0.284 -12.279 1.00 0.00 H new ATOM 0 HE ARG A 30 3.517 2.032 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.348 -1.366 -12.455 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.715 -1.223 -13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.417 2.208 -12.359 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.626 0.791 -13.057 1.00 0.00 H new ATOM 435 N THR A 31 7.121 -3.512 -7.732 1.00 0.00 N ATOM 436 CA THR A 31 8.309 -4.261 -7.344 1.00 0.00 C ATOM 437 C THR A 31 8.687 -5.284 -8.410 1.00 0.00 C ATOM 438 O THR A 31 7.842 -5.781 -9.154 1.00 0.00 O ATOM 439 CB THR A 31 8.101 -4.988 -6.002 1.00 0.00 C ATOM 440 OG1 THR A 31 6.773 -5.518 -5.932 1.00 0.00 O ATOM 441 CG2 THR A 31 8.338 -4.044 -4.833 1.00 0.00 C ATOM 0 H THR A 31 6.323 -4.092 -7.989 1.00 0.00 H new ATOM 0 HA THR A 31 9.117 -3.538 -7.236 1.00 0.00 H new ATOM 0 HB THR A 31 8.821 -5.804 -5.941 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.298 -5.321 -6.766 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.185 -4.580 -3.896 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.359 -3.665 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.639 -3.209 -4.892 1.00 0.00 H new ATOM 449 N PRO A 32 9.987 -5.607 -8.486 1.00 0.00 N ATOM 450 CA PRO A 32 10.506 -6.575 -9.457 1.00 0.00 C ATOM 451 C PRO A 32 10.069 -8.002 -9.144 1.00 0.00 C ATOM 452 O PRO A 32 9.515 -8.288 -8.082 1.00 0.00 O ATOM 453 CB PRO A 32 12.024 -6.438 -9.317 1.00 0.00 C ATOM 454 CG PRO A 32 12.233 -5.930 -7.932 1.00 0.00 C ATOM 455 CD PRO A 32 11.049 -5.053 -7.630 1.00 0.00 C ATOM 0 HA PRO A 32 10.137 -6.380 -10.464 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.523 -7.395 -9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.429 -5.748 -10.057 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.301 -6.753 -7.220 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.164 -5.368 -7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.777 -5.094 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.252 -4.008 -7.867 1.00 0.00 H new ATOM 463 N PRO A 33 10.322 -8.920 -10.088 1.00 0.00 N ATOM 464 CA PRO A 33 9.964 -10.333 -9.935 1.00 0.00 C ATOM 465 C PRO A 33 10.815 -11.036 -8.883 1.00 0.00 C ATOM 466 O PRO A 33 11.937 -10.619 -8.599 1.00 0.00 O ATOM 467 CB PRO A 33 10.234 -10.920 -11.322 1.00 0.00 C ATOM 468 CG PRO A 33 11.263 -10.023 -11.919 1.00 0.00 C ATOM 469 CD PRO A 33 10.979 -8.649 -11.378 1.00 0.00 C ATOM 0 HA PRO A 33 8.935 -10.459 -9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.595 -11.946 -11.254 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.327 -10.940 -11.927 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.268 -10.348 -11.650 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.206 -10.033 -13.007 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.894 -8.071 -11.249 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.333 -8.079 -12.046 1.00 0.00 H new ATOM 477 N MET A 34 10.274 -12.106 -8.310 1.00 0.00 N ATOM 478 CA MET A 34 10.986 -12.869 -7.291 1.00 0.00 C ATOM 479 C MET A 34 11.436 -11.962 -6.149 1.00 0.00 C ATOM 480 O MET A 34 12.549 -12.095 -5.640 1.00 0.00 O ATOM 481 CB MET A 34 12.197 -13.574 -7.904 1.00 0.00 C ATOM 482 CG MET A 34 11.842 -14.498 -9.058 1.00 0.00 C ATOM 483 SD MET A 34 13.037 -15.831 -9.273 1.00 0.00 S ATOM 484 CE MET A 34 12.146 -16.906 -10.396 1.00 0.00 C ATOM 0 H MET A 34 9.346 -12.464 -8.534 1.00 0.00 H new ATOM 0 HA MET A 34 10.303 -13.618 -6.890 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.905 -12.823 -8.255 1.00 0.00 H new ATOM 0 HB3 MET A 34 12.702 -14.151 -7.129 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.854 -14.925 -8.886 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.782 -13.917 -9.978 1.00 0.00 H new ATOM 0 HE1 MET A 34 12.757 -17.779 -10.625 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.214 -17.227 -9.930 1.00 0.00 H new ATOM 0 HE3 MET A 34 11.924 -16.367 -11.317 1.00 0.00 H new ATOM 494 N SER A 35 10.563 -11.042 -5.751 1.00 0.00 N ATOM 495 CA SER A 35 10.872 -10.111 -4.672 1.00 0.00 C ATOM 496 C SER A 35 9.809 -10.173 -3.580 1.00 0.00 C ATOM 497 O SER A 35 8.618 -10.304 -3.864 1.00 0.00 O ATOM 498 CB SER A 35 10.979 -8.685 -5.215 1.00 0.00 C ATOM 499 OG SER A 35 9.711 -8.196 -5.616 1.00 0.00 O ATOM 0 H SER A 35 9.636 -10.921 -6.160 1.00 0.00 H new ATOM 0 HA SER A 35 11.830 -10.400 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.399 -8.032 -4.450 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.664 -8.666 -6.062 1.00 0.00 H new ATOM 0 HG SER A 35 9.458 -8.605 -6.470 1.00 0.00 H new ATOM 505 N SER A 36 10.248 -10.078 -2.329 1.00 0.00 N ATOM 506 CA SER A 36 9.336 -10.127 -1.192 1.00 0.00 C ATOM 507 C SER A 36 8.769 -8.743 -0.891 1.00 0.00 C ATOM 508 O SER A 36 9.496 -7.836 -0.487 1.00 0.00 O ATOM 509 CB SER A 36 10.054 -10.676 0.042 1.00 0.00 C ATOM 510 OG SER A 36 9.153 -11.362 0.893 1.00 0.00 O ATOM 0 H SER A 36 11.230 -9.967 -2.077 1.00 0.00 H new ATOM 0 HA SER A 36 8.511 -10.791 -1.448 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.852 -11.351 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.523 -9.857 0.588 1.00 0.00 H new ATOM 0 HG SER A 36 9.637 -11.705 1.673 1.00 0.00 H new ATOM 516 N VAL A 37 7.464 -8.589 -1.091 1.00 0.00 N ATOM 517 CA VAL A 37 6.797 -7.317 -0.840 1.00 0.00 C ATOM 518 C VAL A 37 5.802 -7.435 0.309 1.00 0.00 C ATOM 519 O VAL A 37 5.085 -8.430 0.425 1.00 0.00 O ATOM 520 CB VAL A 37 6.059 -6.813 -2.094 1.00 0.00 C ATOM 521 CG1 VAL A 37 5.212 -7.923 -2.697 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.203 -5.601 -1.757 1.00 0.00 C ATOM 0 H VAL A 37 6.848 -9.329 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 37 7.573 -6.600 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 37 6.800 -6.511 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.698 -7.548 -3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.853 -8.759 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.477 -8.258 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.689 -5.258 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.468 -5.874 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.838 -4.802 -1.375 1.00 0.00 H new ATOM 532 N LYS A 38 5.761 -6.414 1.158 1.00 0.00 N ATOM 533 CA LYS A 38 4.853 -6.401 2.298 1.00 0.00 C ATOM 534 C LYS A 38 4.254 -5.013 2.500 1.00 0.00 C ATOM 535 O LYS A 38 4.715 -4.035 1.910 1.00 0.00 O ATOM 536 CB LYS A 38 5.587 -6.841 3.566 1.00 0.00 C ATOM 537 CG LYS A 38 5.532 -8.339 3.812 1.00 0.00 C ATOM 538 CD LYS A 38 6.383 -8.740 5.005 1.00 0.00 C ATOM 539 CE LYS A 38 5.828 -9.975 5.696 1.00 0.00 C ATOM 540 NZ LYS A 38 6.219 -11.228 4.993 1.00 0.00 N ATOM 0 H LYS A 38 6.347 -5.583 1.078 1.00 0.00 H new ATOM 0 HA LYS A 38 4.043 -7.101 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.630 -6.530 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.155 -6.324 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.499 -8.643 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.878 -8.867 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.404 -8.934 4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.428 -7.914 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.188 -10.008 6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.741 -9.908 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.821 -12.047 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.854 -11.208 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.256 -11.305 4.972 1.00 0.00 H new ATOM 554 N TRP A 39 3.227 -4.933 3.338 1.00 0.00 N ATOM 555 CA TRP A 39 2.566 -3.664 3.619 1.00 0.00 C ATOM 556 C TRP A 39 2.213 -3.549 5.098 1.00 0.00 C ATOM 557 O TRP A 39 1.396 -4.314 5.613 1.00 0.00 O ATOM 558 CB TRP A 39 1.303 -3.523 2.768 1.00 0.00 C ATOM 559 CG TRP A 39 1.572 -3.019 1.383 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.731 -3.771 0.254 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.717 -1.652 0.982 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.965 -2.953 -0.826 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.961 -1.649 -0.406 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.662 -0.431 1.658 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.151 -0.473 -1.125 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.851 0.736 0.943 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.092 0.709 -0.437 1.00 0.00 C ATOM 0 H TRP A 39 2.834 -5.732 3.835 1.00 0.00 H new ATOM 0 HA TRP A 39 3.257 -2.860 3.366 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.807 -4.491 2.704 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.612 -2.843 3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.680 -4.849 0.215 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.117 -3.266 -1.785 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.475 -0.400 2.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.338 -0.492 -2.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.812 1.685 1.457 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.234 1.639 -0.968 1.00 0.00 H new ATOM 578 N LEU A 40 2.833 -2.590 5.777 1.00 0.00 N ATOM 579 CA LEU A 40 2.583 -2.375 7.198 1.00 0.00 C ATOM 580 C LEU A 40 1.444 -1.383 7.407 1.00 0.00 C ATOM 581 O LEU A 40 1.249 -0.467 6.607 1.00 0.00 O ATOM 582 CB LEU A 40 3.851 -1.867 7.887 1.00 0.00 C ATOM 583 CG LEU A 40 3.902 -2.034 9.407 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.339 -2.190 9.879 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.238 -0.851 10.096 1.00 0.00 C ATOM 0 H LEU A 40 3.512 -1.949 5.367 1.00 0.00 H new ATOM 0 HA LEU A 40 2.294 -3.329 7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.707 -2.385 7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.968 -0.809 7.654 1.00 0.00 H new ATOM 0 HG LEU A 40 3.354 -2.938 9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.355 -2.308 10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.782 -3.070 9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.911 -1.305 9.601 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.284 -0.987 11.177 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.758 0.067 9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.196 -0.785 9.782 1.00 0.00 H new ATOM 597 N LEU A 41 0.696 -1.569 8.489 1.00 0.00 N ATOM 598 CA LEU A 41 -0.424 -0.688 8.806 1.00 0.00 C ATOM 599 C LEU A 41 -0.125 0.149 10.045 1.00 0.00 C ATOM 600 O LEU A 41 0.641 -0.250 10.923 1.00 0.00 O ATOM 601 CB LEU A 41 -1.697 -1.508 9.024 1.00 0.00 C ATOM 602 CG LEU A 41 -2.010 -2.559 7.959 1.00 0.00 C ATOM 603 CD1 LEU A 41 -1.950 -1.945 6.569 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.046 -3.732 8.068 1.00 0.00 C ATOM 0 H LEU A 41 0.844 -2.321 9.162 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.574 -0.013 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.621 -2.009 9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.541 -0.821 9.087 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.022 -2.929 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.176 -2.708 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.680 -1.139 6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.951 -1.547 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.284 -4.471 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.025 -3.378 7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.138 -4.189 9.053 1.00 0.00 H new ATOM 616 N PRO A 42 -0.743 1.336 10.121 1.00 0.00 N ATOM 617 CA PRO A 42 -0.561 2.253 11.251 1.00 0.00 C ATOM 618 C PRO A 42 -1.199 1.728 12.532 1.00 0.00 C ATOM 619 O PRO A 42 -1.196 2.404 13.560 1.00 0.00 O ATOM 620 CB PRO A 42 -1.265 3.531 10.788 1.00 0.00 C ATOM 621 CG PRO A 42 -2.276 3.068 9.796 1.00 0.00 C ATOM 622 CD PRO A 42 -1.669 1.875 9.111 1.00 0.00 C ATOM 0 HA PRO A 42 0.492 2.395 11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.738 4.048 11.623 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.560 4.231 10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.211 2.801 10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.507 3.855 9.078 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.427 1.144 8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.146 2.159 8.198 1.00 0.00 H new ATOM 630 N ASN A 43 -1.745 0.518 12.464 1.00 0.00 N ATOM 631 CA ASN A 43 -2.387 -0.098 13.619 1.00 0.00 C ATOM 632 C ASN A 43 -1.462 -1.117 14.277 1.00 0.00 C ATOM 633 O ASN A 43 -1.757 -1.636 15.353 1.00 0.00 O ATOM 634 CB ASN A 43 -3.695 -0.774 13.202 1.00 0.00 C ATOM 635 CG ASN A 43 -3.494 -2.221 12.796 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.794 -2.530 11.540 1.00 0.00 O flip ATOM 637 ND2 ASN A 43 -3.074 -3.051 13.603 1.00 0.00 N flip ATOM 0 H ASN A 43 -1.755 -0.055 11.620 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.606 0.687 14.343 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.405 -0.726 14.028 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.136 -0.224 12.371 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.856 -2.768 14.559 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.944 -4.021 13.316 1.00 0.00 H new ATOM 644 N GLY A 44 -0.340 -1.399 13.622 1.00 0.00 N ATOM 645 CA GLY A 44 0.612 -2.355 14.157 1.00 0.00 C ATOM 646 C GLY A 44 0.439 -3.739 13.565 1.00 0.00 C ATOM 647 O GLY A 44 0.151 -4.699 14.282 1.00 0.00 O ATOM 0 H GLY A 44 -0.073 -0.982 12.730 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.625 -2.003 13.960 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.498 -2.410 15.240 1.00 0.00 H new ATOM 651 N THR A 45 0.614 -3.845 12.251 1.00 0.00 N ATOM 652 CA THR A 45 0.473 -5.122 11.562 1.00 0.00 C ATOM 653 C THR A 45 1.044 -5.051 10.151 1.00 0.00 C ATOM 654 O THR A 45 1.258 -3.965 9.611 1.00 0.00 O ATOM 655 CB THR A 45 -1.002 -5.559 11.486 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.647 -5.331 12.744 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.112 -7.030 11.113 1.00 0.00 C ATOM 0 H THR A 45 0.854 -3.062 11.643 1.00 0.00 H new ATOM 0 HA THR A 45 1.033 -5.857 12.140 1.00 0.00 H new ATOM 0 HB THR A 45 -1.494 -4.967 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.022 -5.530 13.473 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.163 -7.316 11.065 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.647 -7.195 10.141 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.605 -7.635 11.865 1.00 0.00 H new ATOM 665 N VAL A 46 1.288 -6.214 9.557 1.00 0.00 N ATOM 666 CA VAL A 46 1.832 -6.284 8.206 1.00 0.00 C ATOM 667 C VAL A 46 1.292 -7.497 7.457 1.00 0.00 C ATOM 668 O VAL A 46 1.314 -8.617 7.969 1.00 0.00 O ATOM 669 CB VAL A 46 3.371 -6.349 8.224 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.918 -6.453 6.808 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.947 -5.136 8.939 1.00 0.00 C ATOM 0 H VAL A 46 1.118 -7.122 9.990 1.00 0.00 H new ATOM 0 HA VAL A 46 1.519 -5.375 7.692 1.00 0.00 H new ATOM 0 HB VAL A 46 3.673 -7.242 8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.007 -6.498 6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.532 -7.355 6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.608 -5.580 6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.035 -5.198 8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.637 -4.228 8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.582 -5.111 9.966 1.00 0.00 H new ATOM 681 N LEU A 47 0.808 -7.267 6.242 1.00 0.00 N ATOM 682 CA LEU A 47 0.261 -8.342 5.420 1.00 0.00 C ATOM 683 C LEU A 47 1.225 -8.713 4.298 1.00 0.00 C ATOM 684 O LEU A 47 2.255 -8.066 4.112 1.00 0.00 O ATOM 685 CB LEU A 47 -1.088 -7.926 4.833 1.00 0.00 C ATOM 686 CG LEU A 47 -2.171 -7.545 5.843 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.282 -6.759 5.164 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.732 -8.788 6.518 1.00 0.00 C ATOM 0 H LEU A 47 0.783 -6.346 5.804 1.00 0.00 H new ATOM 0 HA LEU A 47 0.119 -9.216 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.926 -7.078 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.463 -8.746 4.220 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.720 -6.912 6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.043 -6.497 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.870 -5.849 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.730 -7.367 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.501 -8.498 7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.166 -9.446 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.931 -9.312 7.039 1.00 0.00 H new ATOM 700 N SER A 48 0.881 -9.757 3.551 1.00 0.00 N ATOM 701 CA SER A 48 1.717 -10.216 2.447 1.00 0.00 C ATOM 702 C SER A 48 0.890 -10.990 1.425 1.00 0.00 C ATOM 703 O SER A 48 -0.318 -11.163 1.590 1.00 0.00 O ATOM 704 CB SER A 48 2.854 -11.094 2.971 1.00 0.00 C ATOM 705 OG SER A 48 2.448 -11.826 4.114 1.00 0.00 O ATOM 0 H SER A 48 0.029 -10.301 3.690 1.00 0.00 H new ATOM 0 HA SER A 48 2.141 -9.340 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.176 -11.783 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.713 -10.471 3.220 1.00 0.00 H new ATOM 0 HG SER A 48 3.192 -12.381 4.429 1.00 0.00 H new ATOM 711 N HIS A 49 1.550 -11.454 0.368 1.00 0.00 N ATOM 712 CA HIS A 49 0.877 -12.211 -0.682 1.00 0.00 C ATOM 713 C HIS A 49 0.134 -13.408 -0.097 1.00 0.00 C ATOM 714 O HIS A 49 -0.703 -14.016 -0.763 1.00 0.00 O ATOM 715 CB HIS A 49 1.888 -12.683 -1.726 1.00 0.00 C ATOM 716 CG HIS A 49 1.273 -12.998 -3.055 1.00 0.00 C ATOM 717 ND1 HIS A 49 1.176 -12.077 -4.077 1.00 0.00 N ATOM 718 CD2 HIS A 49 0.724 -14.141 -3.528 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.592 -12.639 -5.120 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.308 -13.892 -4.813 1.00 0.00 N ATOM 0 H HIS A 49 2.550 -11.319 0.216 1.00 0.00 H new ATOM 0 HA HIS A 49 0.151 -11.555 -1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.647 -11.912 -1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.398 -13.571 -1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.630 -15.075 -2.994 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.382 -12.156 -6.063 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.146 -14.565 -5.430 1.00 0.00 H new ATOM 729 N ALA A 50 0.447 -13.741 1.151 1.00 0.00 N ATOM 730 CA ALA A 50 -0.192 -14.864 1.825 1.00 0.00 C ATOM 731 C ALA A 50 -1.554 -14.466 2.384 1.00 0.00 C ATOM 732 O ALA A 50 -2.589 -14.938 1.916 1.00 0.00 O ATOM 733 CB ALA A 50 0.704 -15.391 2.937 1.00 0.00 C ATOM 0 H ALA A 50 1.139 -13.249 1.716 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.347 -15.656 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.214 -16.230 3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.652 -15.723 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.888 -14.599 3.662 1.00 0.00 H new ATOM 739 N SER A 51 -1.545 -13.596 3.389 1.00 0.00 N ATOM 740 CA SER A 51 -2.780 -13.139 4.015 1.00 0.00 C ATOM 741 C SER A 51 -3.900 -13.022 2.985 1.00 0.00 C ATOM 742 O SER A 51 -3.678 -12.576 1.859 1.00 0.00 O ATOM 743 CB SER A 51 -2.559 -11.789 4.701 1.00 0.00 C ATOM 744 OG SER A 51 -1.259 -11.707 5.259 1.00 0.00 O ATOM 0 H SER A 51 -0.696 -13.194 3.787 1.00 0.00 H new ATOM 0 HA SER A 51 -3.074 -13.875 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.700 -10.984 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.304 -11.649 5.484 1.00 0.00 H new ATOM 0 HG SER A 51 -1.277 -11.124 6.046 1.00 0.00 H new ATOM 750 N ARG A 52 -5.103 -13.426 3.380 1.00 0.00 N ATOM 751 CA ARG A 52 -6.258 -13.368 2.493 1.00 0.00 C ATOM 752 C ARG A 52 -7.195 -12.232 2.894 1.00 0.00 C ATOM 753 O ARG A 52 -8.404 -12.428 3.023 1.00 0.00 O ATOM 754 CB ARG A 52 -7.012 -14.698 2.515 1.00 0.00 C ATOM 755 CG ARG A 52 -7.771 -14.990 1.231 1.00 0.00 C ATOM 756 CD ARG A 52 -9.050 -14.172 1.142 1.00 0.00 C ATOM 757 NE ARG A 52 -9.989 -14.727 0.172 1.00 0.00 N ATOM 758 CZ ARG A 52 -11.290 -14.460 0.172 1.00 0.00 C ATOM 759 NH1 ARG A 52 -11.804 -13.648 1.086 1.00 0.00 N ATOM 760 NH2 ARG A 52 -12.081 -15.004 -0.745 1.00 0.00 N ATOM 0 H ARG A 52 -5.303 -13.797 4.309 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.899 -13.179 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.303 -15.505 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.714 -14.694 3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.136 -14.769 0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.013 -16.052 1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.524 -14.132 2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.806 -13.147 0.864 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.626 -15.355 -0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.200 -13.227 1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.804 -13.445 1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.690 -15.628 -1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.080 -14.798 -0.744 1.00 0.00 H new ATOM 774 N HIS A 53 -6.629 -11.046 3.089 1.00 0.00 N ATOM 775 CA HIS A 53 -7.414 -9.879 3.475 1.00 0.00 C ATOM 776 C HIS A 53 -8.296 -9.411 2.322 1.00 0.00 C ATOM 777 O HIS A 53 -7.841 -9.235 1.191 1.00 0.00 O ATOM 778 CB HIS A 53 -6.493 -8.743 3.920 1.00 0.00 C ATOM 779 CG HIS A 53 -7.121 -7.817 4.916 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.122 -6.926 4.588 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.888 -7.647 6.238 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.475 -6.248 5.665 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.741 -6.667 6.680 1.00 0.00 N ATOM 0 H HIS A 53 -5.630 -10.867 2.986 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.056 -10.164 4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.588 -9.169 4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.188 -8.169 3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.165 -8.183 6.835 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.235 -5.481 5.708 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.799 -6.319 7.637 1.00 0.00 H new ATOM 792 N PRO A 54 -9.590 -9.206 2.611 1.00 0.00 N ATOM 793 CA PRO A 54 -10.563 -8.757 1.610 1.00 0.00 C ATOM 794 C PRO A 54 -10.329 -7.313 1.181 1.00 0.00 C ATOM 795 O PRO A 54 -10.241 -7.016 -0.010 1.00 0.00 O ATOM 796 CB PRO A 54 -11.904 -8.889 2.337 1.00 0.00 C ATOM 797 CG PRO A 54 -11.564 -8.778 3.783 1.00 0.00 C ATOM 798 CD PRO A 54 -10.202 -9.396 3.936 1.00 0.00 C ATOM 0 HA PRO A 54 -10.501 -9.339 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.598 -8.106 2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.382 -9.843 2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.558 -7.736 4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.299 -9.297 4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.624 -8.906 4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.267 -10.451 4.201 1.00 0.00 H new ATOM 806 N ARG A 55 -10.228 -6.419 2.159 1.00 0.00 N ATOM 807 CA ARG A 55 -10.005 -5.005 1.882 1.00 0.00 C ATOM 808 C ARG A 55 -8.586 -4.769 1.373 1.00 0.00 C ATOM 809 O ARG A 55 -8.383 -4.418 0.211 1.00 0.00 O ATOM 810 CB ARG A 55 -10.252 -4.171 3.140 1.00 0.00 C ATOM 811 CG ARG A 55 -11.692 -3.708 3.290 1.00 0.00 C ATOM 812 CD ARG A 55 -11.857 -2.778 4.482 1.00 0.00 C ATOM 813 NE ARG A 55 -10.913 -1.665 4.443 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.677 -1.732 4.925 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.239 -2.854 5.480 1.00 0.00 N ATOM 816 NH2 ARG A 55 -8.876 -0.677 4.853 1.00 0.00 N ATOM 0 H ARG A 55 -10.297 -6.649 3.150 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.707 -4.697 1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.975 -4.758 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.599 -3.299 3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.007 -3.196 2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.343 -4.574 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.875 -2.389 4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.715 -3.342 5.404 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.219 -0.788 4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.852 -3.668 5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.290 -2.903 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.209 0.188 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.927 -0.731 5.224 1.00 0.00 H new ATOM 830 N ILE A 56 -7.608 -4.963 2.252 1.00 0.00 N ATOM 831 CA ILE A 56 -6.208 -4.771 1.892 1.00 0.00 C ATOM 832 C ILE A 56 -5.722 -5.882 0.967 1.00 0.00 C ATOM 833 O ILE A 56 -5.372 -6.971 1.419 1.00 0.00 O ATOM 834 CB ILE A 56 -5.307 -4.726 3.139 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.780 -3.630 4.097 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.858 -4.496 2.738 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.165 -3.727 5.476 1.00 0.00 C ATOM 0 H ILE A 56 -7.759 -5.253 3.218 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.144 -3.815 1.373 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.374 -5.685 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.541 -2.656 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.865 -3.681 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.234 -4.467 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.527 -5.307 2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.774 -3.549 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.545 -2.919 6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.425 -4.686 5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.081 -3.646 5.397 1.00 0.00 H new ATOM 849 N SER A 57 -5.701 -5.596 -0.331 1.00 0.00 N ATOM 850 CA SER A 57 -5.259 -6.572 -1.321 1.00 0.00 C ATOM 851 C SER A 57 -3.887 -6.199 -1.876 1.00 0.00 C ATOM 852 O SER A 57 -3.691 -5.097 -2.388 1.00 0.00 O ATOM 853 CB SER A 57 -6.274 -6.669 -2.461 1.00 0.00 C ATOM 854 OG SER A 57 -7.577 -6.921 -1.964 1.00 0.00 O ATOM 0 H SER A 57 -5.985 -4.697 -0.722 1.00 0.00 H new ATOM 0 HA SER A 57 -5.182 -7.542 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.273 -5.741 -3.033 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.982 -7.466 -3.145 1.00 0.00 H new ATOM 0 HG SER A 57 -8.207 -6.977 -2.712 1.00 0.00 H new ATOM 860 N VAL A 58 -2.941 -7.127 -1.770 1.00 0.00 N ATOM 861 CA VAL A 58 -1.588 -6.898 -2.262 1.00 0.00 C ATOM 862 C VAL A 58 -1.400 -7.494 -3.652 1.00 0.00 C ATOM 863 O VAL A 58 -1.237 -8.706 -3.803 1.00 0.00 O ATOM 864 CB VAL A 58 -0.536 -7.499 -1.311 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.865 -7.294 -1.866 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.663 -6.889 0.077 1.00 0.00 C ATOM 0 H VAL A 58 -3.087 -8.044 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.448 -5.818 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.715 -8.571 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.595 -7.725 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.947 -7.782 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.059 -6.227 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.088 -7.325 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.511 -5.811 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.657 -7.093 0.475 1.00 0.00 H new ATOM 876 N LEU A 59 -1.423 -6.636 -4.666 1.00 0.00 N ATOM 877 CA LEU A 59 -1.255 -7.078 -6.046 1.00 0.00 C ATOM 878 C LEU A 59 0.158 -7.604 -6.281 1.00 0.00 C ATOM 879 O LEU A 59 1.128 -7.063 -5.752 1.00 0.00 O ATOM 880 CB LEU A 59 -1.550 -5.927 -7.010 1.00 0.00 C ATOM 881 CG LEU A 59 -2.807 -5.109 -6.714 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.223 -4.307 -7.937 1.00 0.00 C ATOM 883 CD2 LEU A 59 -3.939 -6.017 -6.258 1.00 0.00 C ATOM 0 H LEU A 59 -1.556 -5.630 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.960 -7.889 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.694 -5.252 -7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.636 -6.336 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.581 -4.411 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.119 -3.731 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.418 -3.628 -8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.430 -4.986 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.826 -5.418 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.164 -6.740 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.640 -6.545 -5.353 1.00 0.00 H new ATOM 895 N ASN A 60 0.265 -8.661 -7.079 1.00 0.00 N ATOM 896 CA ASN A 60 1.559 -9.259 -7.386 1.00 0.00 C ATOM 897 C ASN A 60 2.569 -8.191 -7.792 1.00 0.00 C ATOM 898 O ASN A 60 3.761 -8.307 -7.504 1.00 0.00 O ATOM 899 CB ASN A 60 1.414 -10.292 -8.505 1.00 0.00 C ATOM 900 CG ASN A 60 0.566 -9.784 -9.655 1.00 0.00 C ATOM 901 OD1 ASN A 60 -0.581 -9.380 -9.463 1.00 0.00 O ATOM 902 ND2 ASN A 60 1.128 -9.803 -10.858 1.00 0.00 N ATOM 0 H ASN A 60 -0.529 -9.121 -7.525 1.00 0.00 H new ATOM 0 HA ASN A 60 1.924 -9.756 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.402 -10.561 -8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.967 -11.201 -8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.606 -9.474 -11.670 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.082 -10.147 -10.970 1.00 0.00 H new ATOM 909 N ASP A 61 2.086 -7.151 -8.462 1.00 0.00 N ATOM 910 CA ASP A 61 2.946 -6.060 -8.906 1.00 0.00 C ATOM 911 C ASP A 61 3.580 -5.348 -7.716 1.00 0.00 C ATOM 912 O ASP A 61 4.763 -5.014 -7.738 1.00 0.00 O ATOM 913 CB ASP A 61 2.147 -5.063 -9.747 1.00 0.00 C ATOM 914 CG ASP A 61 1.773 -5.620 -11.107 1.00 0.00 C ATOM 915 OD1 ASP A 61 1.049 -6.636 -11.153 1.00 0.00 O ATOM 916 OD2 ASP A 61 2.205 -5.039 -12.124 1.00 0.00 O ATOM 0 H ASP A 61 1.103 -7.040 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 61 3.742 -6.484 -9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.240 -4.784 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.732 -4.153 -9.879 1.00 0.00 H new ATOM 921 N GLY A 62 2.783 -5.119 -6.676 1.00 0.00 N ATOM 922 CA GLY A 62 3.283 -4.447 -5.492 1.00 0.00 C ATOM 923 C GLY A 62 2.371 -3.328 -5.031 1.00 0.00 C ATOM 924 O GLY A 62 2.702 -2.587 -4.104 1.00 0.00 O ATOM 0 H GLY A 62 1.800 -5.387 -6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.397 -5.173 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.274 -4.042 -5.699 1.00 0.00 H new ATOM 928 N THR A 63 1.217 -3.201 -5.680 1.00 0.00 N ATOM 929 CA THR A 63 0.255 -2.163 -5.333 1.00 0.00 C ATOM 930 C THR A 63 -0.706 -2.642 -4.252 1.00 0.00 C ATOM 931 O THR A 63 -1.113 -3.805 -4.239 1.00 0.00 O ATOM 932 CB THR A 63 -0.557 -1.716 -6.564 1.00 0.00 C ATOM 933 OG1 THR A 63 0.256 -0.902 -7.418 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.795 -0.939 -6.143 1.00 0.00 C ATOM 0 H THR A 63 0.927 -3.805 -6.449 1.00 0.00 H new ATOM 0 HA THR A 63 0.827 -1.315 -4.956 1.00 0.00 H new ATOM 0 HB THR A 63 -0.874 -2.607 -7.106 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.201 -1.047 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.352 -0.634 -7.029 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.426 -1.571 -5.517 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.496 -0.055 -5.580 1.00 0.00 H new ATOM 942 N LEU A 64 -1.066 -1.741 -3.345 1.00 0.00 N ATOM 943 CA LEU A 64 -1.981 -2.072 -2.258 1.00 0.00 C ATOM 944 C LEU A 64 -3.376 -1.518 -2.533 1.00 0.00 C ATOM 945 O LEU A 64 -3.587 -0.307 -2.520 1.00 0.00 O ATOM 946 CB LEU A 64 -1.453 -1.518 -0.934 1.00 0.00 C ATOM 947 CG LEU A 64 -2.002 -2.173 0.334 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.649 -3.652 0.368 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.470 -1.467 1.573 1.00 0.00 C ATOM 0 H LEU A 64 -0.738 -0.775 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.047 -3.158 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.367 -1.616 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.677 -0.452 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.088 -2.080 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.048 -4.101 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.080 -4.149 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.565 -3.768 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.871 -1.947 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.382 -1.527 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.775 -0.421 1.555 1.00 0.00 H new ATOM 961 N ASN A 65 -4.325 -2.416 -2.781 1.00 0.00 N ATOM 962 CA ASN A 65 -5.700 -2.017 -3.057 1.00 0.00 C ATOM 963 C ASN A 65 -6.556 -2.104 -1.797 1.00 0.00 C ATOM 964 O ASN A 65 -6.292 -2.916 -0.909 1.00 0.00 O ATOM 965 CB ASN A 65 -6.298 -2.900 -4.155 1.00 0.00 C ATOM 966 CG ASN A 65 -7.629 -2.375 -4.657 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.558 -2.160 -3.879 1.00 0.00 O ATOM 968 ND2 ASN A 65 -7.727 -2.166 -5.965 1.00 0.00 N ATOM 0 H ASN A 65 -4.167 -3.424 -2.796 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.690 -0.981 -3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.598 -2.964 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.431 -3.912 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.598 -1.813 -6.361 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.931 -2.358 -6.573 1.00 0.00 H new ATOM 975 N PHE A 66 -7.582 -1.263 -1.725 1.00 0.00 N ATOM 976 CA PHE A 66 -8.476 -1.244 -0.574 1.00 0.00 C ATOM 977 C PHE A 66 -9.936 -1.276 -1.018 1.00 0.00 C ATOM 978 O PHE A 66 -10.543 -0.236 -1.269 1.00 0.00 O ATOM 979 CB PHE A 66 -8.219 0.000 0.278 1.00 0.00 C ATOM 980 CG PHE A 66 -6.883 -0.010 0.966 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.712 0.113 0.236 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.800 -0.143 2.343 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.482 0.104 0.866 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.572 -0.153 2.978 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.412 -0.030 2.239 1.00 0.00 C ATOM 0 H PHE A 66 -7.815 -0.585 -2.451 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.276 -2.133 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.286 0.885 -0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.005 0.085 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.761 0.217 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.704 -0.240 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.577 0.202 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.520 -0.257 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.452 -0.039 2.734 1.00 0.00 H new ATOM 995 N SER A 67 -10.492 -2.480 -1.114 1.00 0.00 N ATOM 996 CA SER A 67 -11.879 -2.650 -1.532 1.00 0.00 C ATOM 997 C SER A 67 -12.743 -1.499 -1.027 1.00 0.00 C ATOM 998 O SER A 67 -13.538 -0.929 -1.776 1.00 0.00 O ATOM 999 CB SER A 67 -12.430 -3.981 -1.016 1.00 0.00 C ATOM 1000 OG SER A 67 -13.729 -4.227 -1.526 1.00 0.00 O ATOM 0 H SER A 67 -10.004 -3.351 -0.908 1.00 0.00 H new ATOM 0 HA SER A 67 -11.907 -2.652 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.762 -4.792 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.460 -3.968 0.074 1.00 0.00 H new ATOM 0 HG SER A 67 -14.058 -5.084 -1.183 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.582 -1.161 0.248 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.347 -0.077 0.855 1.00 0.00 C ATOM 1008 C HIS A 68 -12.667 0.424 2.125 1.00 0.00 C ATOM 1009 O HIS A 68 -12.690 -0.245 3.159 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.768 -0.543 1.173 1.00 0.00 C ATOM 1011 CG HIS A 68 -14.833 -1.556 2.275 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.285 -1.453 3.546 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.399 -2.856 2.128 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.117 -2.680 4.139 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.581 -3.510 3.262 1.00 0.00 N flip ATOM 0 H HIS A 68 -11.929 -1.622 0.881 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.394 0.745 0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.372 0.321 1.449 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.212 -0.968 0.273 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -15.678 -0.619 3.983 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -13.976 -3.275 1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.380 -2.927 5.157 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.061 1.604 2.041 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.374 2.194 3.183 1.00 0.00 C ATOM 1026 C VAL A 69 -12.364 2.607 4.267 1.00 0.00 C ATOM 1027 O VAL A 69 -13.559 2.757 4.007 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.545 3.423 2.766 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.387 3.008 1.872 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.426 4.448 2.069 1.00 0.00 C ATOM 0 H VAL A 69 -12.032 2.170 1.193 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.704 1.430 3.578 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.133 3.883 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.813 3.890 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.742 2.313 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.775 2.523 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.824 5.310 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.869 4.002 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.217 4.768 2.747 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.860 2.789 5.482 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.701 3.186 6.607 1.00 0.00 C ATOM 1042 C LEU A 70 -12.066 4.336 7.382 1.00 0.00 C ATOM 1043 O LEU A 70 -10.855 4.552 7.313 1.00 0.00 O ATOM 1044 CB LEU A 70 -12.934 1.995 7.539 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.175 0.647 6.858 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -12.953 -0.493 7.840 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.580 0.587 6.277 1.00 0.00 C ATOM 0 H LEU A 70 -10.874 2.668 5.714 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.659 3.524 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.069 1.898 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.792 2.218 8.173 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.461 0.541 6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.129 -1.445 7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.928 -0.461 8.209 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.643 -0.391 8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.734 -0.379 5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.310 0.715 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.704 1.382 5.542 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.890 5.071 8.121 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.410 6.198 8.911 1.00 0.00 C ATOM 1061 C LEU A 71 -11.322 5.756 9.886 1.00 0.00 C ATOM 1062 O LEU A 71 -10.511 6.565 10.335 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.568 6.839 9.678 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.527 7.696 8.852 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.593 8.314 9.743 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.764 8.778 8.101 1.00 0.00 C ATOM 0 H LEU A 71 -13.894 4.906 8.189 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.984 6.933 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.142 6.047 10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.152 7.458 10.473 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.020 7.054 8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.266 8.921 9.137 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -16.160 7.523 10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.118 8.942 10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.463 9.378 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.243 9.417 8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.039 8.314 7.432 1.00 0.00 H new ATOM 1078 N SER A 72 -11.312 4.466 10.207 1.00 0.00 N ATOM 1079 CA SER A 72 -10.325 3.916 11.129 1.00 0.00 C ATOM 1080 C SER A 72 -9.062 3.494 10.385 1.00 0.00 C ATOM 1081 O SER A 72 -8.022 3.248 10.995 1.00 0.00 O ATOM 1082 CB SER A 72 -10.911 2.721 11.883 1.00 0.00 C ATOM 1083 OG SER A 72 -12.011 3.113 12.685 1.00 0.00 O ATOM 0 H SER A 72 -11.976 3.783 9.842 1.00 0.00 H new ATOM 0 HA SER A 72 -10.060 4.694 11.845 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.229 1.959 11.172 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.142 2.270 12.510 1.00 0.00 H new ATOM 0 HG SER A 72 -12.368 2.331 13.155 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.162 3.411 9.063 1.00 0.00 N ATOM 1090 CA ASP A 73 -8.028 3.019 8.233 1.00 0.00 C ATOM 1091 C ASP A 73 -7.084 4.197 8.012 1.00 0.00 C ATOM 1092 O ASP A 73 -5.918 4.014 7.659 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.516 2.480 6.887 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.122 1.096 7.003 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -8.372 0.142 7.301 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -10.347 0.966 6.797 1.00 0.00 O ATOM 0 H ASP A 73 -10.016 3.610 8.543 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.482 2.232 8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.256 3.164 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.681 2.450 6.187 1.00 0.00 H new ATOM 1101 N THR A 74 -7.595 5.406 8.220 1.00 0.00 N ATOM 1102 CA THR A 74 -6.799 6.614 8.041 1.00 0.00 C ATOM 1103 C THR A 74 -5.497 6.536 8.830 1.00 0.00 C ATOM 1104 O THR A 74 -5.500 6.238 10.024 1.00 0.00 O ATOM 1105 CB THR A 74 -7.577 7.869 8.479 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.771 8.002 7.701 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.722 9.117 8.322 1.00 0.00 C ATOM 0 H THR A 74 -8.557 5.575 8.513 1.00 0.00 H new ATOM 0 HA THR A 74 -6.572 6.689 6.977 1.00 0.00 H new ATOM 0 HB THR A 74 -7.840 7.758 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.260 8.801 7.987 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.292 9.991 8.637 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.828 9.025 8.939 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.432 9.231 7.277 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.384 6.805 8.155 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.090 6.761 8.810 1.00 0.00 C ATOM 1117 C GLY A 75 -1.940 6.751 7.822 1.00 0.00 C ATOM 1118 O GLY A 75 -1.973 7.455 6.813 1.00 0.00 O ATOM 0 H GLY A 75 -4.355 7.053 7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.991 7.623 9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.034 5.871 9.437 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.919 5.951 8.112 1.00 0.00 N ATOM 1123 CA VAL A 76 0.247 5.852 7.242 1.00 0.00 C ATOM 1124 C VAL A 76 0.576 4.397 6.927 1.00 0.00 C ATOM 1125 O VAL A 76 0.608 3.550 7.820 1.00 0.00 O ATOM 1126 CB VAL A 76 1.480 6.520 7.879 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.742 6.148 7.116 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.302 8.029 7.928 1.00 0.00 C ATOM 0 H VAL A 76 -0.876 5.362 8.943 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.002 6.373 6.318 1.00 0.00 H new ATOM 0 HB VAL A 76 1.582 6.156 8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.603 6.629 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.875 5.066 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.654 6.482 6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.182 8.485 8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.175 8.413 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.421 8.272 8.522 1.00 0.00 H new ATOM 1138 N TYR A 77 0.820 4.115 5.652 1.00 0.00 N ATOM 1139 CA TYR A 77 1.145 2.761 5.218 1.00 0.00 C ATOM 1140 C TYR A 77 2.565 2.693 4.665 1.00 0.00 C ATOM 1141 O TYR A 77 2.894 3.355 3.681 1.00 0.00 O ATOM 1142 CB TYR A 77 0.149 2.291 4.157 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.272 2.190 4.662 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.962 3.319 5.086 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.927 0.965 4.714 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.260 3.232 5.549 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.226 0.868 5.174 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.888 2.004 5.591 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.182 1.913 6.050 1.00 0.00 O ATOM 0 H TYR A 77 0.799 4.805 4.901 1.00 0.00 H new ATOM 0 HA TYR A 77 1.080 2.103 6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.178 2.981 3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.463 1.316 3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.474 4.282 5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.411 0.073 4.389 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.781 4.120 5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.720 -0.092 5.207 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.410 2.725 6.549 1.00 0.00 H new ATOM 1159 N THR A 78 3.405 1.885 5.307 1.00 0.00 N ATOM 1160 CA THR A 78 4.790 1.729 4.881 1.00 0.00 C ATOM 1161 C THR A 78 4.980 0.439 4.092 1.00 0.00 C ATOM 1162 O THR A 78 4.692 -0.651 4.588 1.00 0.00 O ATOM 1163 CB THR A 78 5.750 1.727 6.085 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.571 2.921 6.857 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.196 1.628 5.624 1.00 0.00 C ATOM 0 H THR A 78 3.150 1.329 6.123 1.00 0.00 H new ATOM 0 HA THR A 78 5.022 2.580 4.241 1.00 0.00 H new ATOM 0 HB THR A 78 5.521 0.858 6.702 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.947 3.684 6.371 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.855 1.628 6.492 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.336 0.705 5.062 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.434 2.480 4.987 1.00 0.00 H new ATOM 1173 N CYS A 79 5.467 0.569 2.863 1.00 0.00 N ATOM 1174 CA CYS A 79 5.696 -0.587 2.005 1.00 0.00 C ATOM 1175 C CYS A 79 7.124 -1.103 2.156 1.00 0.00 C ATOM 1176 O CYS A 79 8.085 -0.351 2.000 1.00 0.00 O ATOM 1177 CB CYS A 79 5.424 -0.226 0.544 1.00 0.00 C ATOM 1178 SG CYS A 79 5.589 -1.615 -0.603 1.00 0.00 S ATOM 0 H CYS A 79 5.711 1.464 2.439 1.00 0.00 H new ATOM 0 HA CYS A 79 5.009 -1.376 2.311 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.416 0.180 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.111 0.564 0.242 1.00 0.00 H new ATOM 0 HG CYS A 79 5.642 -1.167 -1.822 1.00 0.00 H new ATOM 1184 N MET A 80 7.253 -2.390 2.462 1.00 0.00 N ATOM 1185 CA MET A 80 8.564 -3.005 2.635 1.00 0.00 C ATOM 1186 C MET A 80 8.967 -3.785 1.388 1.00 0.00 C ATOM 1187 O MET A 80 8.131 -4.413 0.739 1.00 0.00 O ATOM 1188 CB MET A 80 8.559 -3.933 3.852 1.00 0.00 C ATOM 1189 CG MET A 80 7.931 -3.310 5.088 1.00 0.00 C ATOM 1190 SD MET A 80 8.249 -4.265 6.584 1.00 0.00 S ATOM 1191 CE MET A 80 6.616 -4.917 6.924 1.00 0.00 C ATOM 0 H MET A 80 6.467 -3.026 2.595 1.00 0.00 H new ATOM 0 HA MET A 80 9.292 -2.210 2.796 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.019 -4.846 3.601 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.584 -4.223 4.082 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.318 -2.299 5.217 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.855 -3.222 4.939 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.698 -5.774 7.592 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.008 -4.146 7.397 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.147 -5.228 5.991 1.00 0.00 H new ATOM 1201 N VAL A 81 10.254 -3.741 1.058 1.00 0.00 N ATOM 1202 CA VAL A 81 10.768 -4.444 -0.112 1.00 0.00 C ATOM 1203 C VAL A 81 12.085 -5.145 0.204 1.00 0.00 C ATOM 1204 O VAL A 81 13.093 -4.499 0.492 1.00 0.00 O ATOM 1205 CB VAL A 81 10.982 -3.482 -1.296 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.422 -4.249 -2.534 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.715 -2.688 -1.572 1.00 0.00 C ATOM 0 H VAL A 81 10.960 -3.226 1.584 1.00 0.00 H new ATOM 0 HA VAL A 81 10.021 -5.188 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 81 11.773 -2.780 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.568 -3.553 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.358 -4.768 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.656 -4.976 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.884 -2.013 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.902 -3.373 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.449 -2.108 -0.688 1.00 0.00 H new ATOM 1217 N THR A 82 12.070 -6.473 0.147 1.00 0.00 N ATOM 1218 CA THR A 82 13.262 -7.264 0.427 1.00 0.00 C ATOM 1219 C THR A 82 13.645 -8.124 -0.772 1.00 0.00 C ATOM 1220 O THR A 82 12.814 -8.847 -1.320 1.00 0.00 O ATOM 1221 CB THR A 82 13.057 -8.174 1.653 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.624 -7.395 2.774 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.344 -8.906 2.004 1.00 0.00 C ATOM 0 H THR A 82 11.245 -7.024 -0.091 1.00 0.00 H new ATOM 0 HA THR A 82 14.067 -6.560 0.637 1.00 0.00 H new ATOM 0 HB THR A 82 12.293 -8.912 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.494 -7.981 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.175 -9.542 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.655 -9.520 1.159 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.125 -8.180 2.232 1.00 0.00 H new ATOM 1231 N ASN A 83 14.909 -8.041 -1.174 1.00 0.00 N ATOM 1232 CA ASN A 83 15.403 -8.813 -2.309 1.00 0.00 C ATOM 1233 C ASN A 83 16.808 -9.342 -2.037 1.00 0.00 C ATOM 1234 O ASN A 83 17.435 -8.985 -1.040 1.00 0.00 O ATOM 1235 CB ASN A 83 15.405 -7.954 -3.575 1.00 0.00 C ATOM 1236 CG ASN A 83 15.471 -8.787 -4.839 1.00 0.00 C ATOM 1237 OD1 ASN A 83 16.523 -9.322 -5.189 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.344 -8.902 -5.532 1.00 0.00 N ATOM 0 H ASN A 83 15.610 -7.447 -0.731 1.00 0.00 H new ATOM 0 HA ASN A 83 14.736 -9.663 -2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.505 -7.339 -3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.256 -7.273 -3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.328 -9.451 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.495 -8.441 -5.205 1.00 0.00 H new ATOM 1245 N VAL A 84 17.296 -10.195 -2.932 1.00 0.00 N ATOM 1246 CA VAL A 84 18.628 -10.772 -2.791 1.00 0.00 C ATOM 1247 C VAL A 84 19.690 -9.858 -3.391 1.00 0.00 C ATOM 1248 O VAL A 84 20.884 -10.043 -3.161 1.00 0.00 O ATOM 1249 CB VAL A 84 18.715 -12.154 -3.465 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.231 -12.077 -4.905 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.137 -12.689 -3.400 1.00 0.00 C ATOM 0 H VAL A 84 16.789 -10.502 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 84 18.812 -10.885 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 84 18.066 -12.844 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.300 -13.063 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.195 -11.740 -4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.851 -11.373 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.180 -13.666 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.808 -12.001 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.443 -12.783 -2.358 1.00 0.00 H new ATOM 1261 N ALA A 85 19.245 -8.870 -4.162 1.00 0.00 N ATOM 1262 CA ALA A 85 20.157 -7.925 -4.794 1.00 0.00 C ATOM 1263 C ALA A 85 20.203 -6.609 -4.025 1.00 0.00 C ATOM 1264 O ALA A 85 21.169 -5.854 -4.124 1.00 0.00 O ATOM 1265 CB ALA A 85 19.747 -7.681 -6.239 1.00 0.00 C ATOM 0 H ALA A 85 18.259 -8.704 -4.363 1.00 0.00 H new ATOM 0 HA ALA A 85 21.157 -8.358 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.437 -6.973 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.773 -8.622 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.737 -7.273 -6.267 1.00 0.00 H new ATOM 1271 N GLY A 86 19.149 -6.339 -3.260 1.00 0.00 N ATOM 1272 CA GLY A 86 19.089 -5.112 -2.487 1.00 0.00 C ATOM 1273 C GLY A 86 17.802 -4.988 -1.696 1.00 0.00 C ATOM 1274 O GLY A 86 16.996 -5.916 -1.660 1.00 0.00 O ATOM 0 H GLY A 86 18.336 -6.948 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.937 -5.075 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.183 -4.258 -3.158 1.00 0.00 H new ATOM 1278 N ASN A 87 17.610 -3.838 -1.058 1.00 0.00 N ATOM 1279 CA ASN A 87 16.413 -3.596 -0.261 1.00 0.00 C ATOM 1280 C ASN A 87 15.946 -2.151 -0.405 1.00 0.00 C ATOM 1281 O ASN A 87 16.700 -1.286 -0.850 1.00 0.00 O ATOM 1282 CB ASN A 87 16.682 -3.914 1.211 1.00 0.00 C ATOM 1283 CG ASN A 87 17.944 -3.247 1.725 1.00 0.00 C ATOM 1284 OD1 ASN A 87 18.091 -2.027 1.644 1.00 0.00 O ATOM 1285 ND2 ASN A 87 18.861 -4.046 2.257 1.00 0.00 N ATOM 0 H ASN A 87 18.268 -3.059 -1.077 1.00 0.00 H new ATOM 0 HA ASN A 87 15.624 -4.252 -0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.832 -3.589 1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.767 -4.993 1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.730 -3.654 2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.696 -5.052 2.303 1.00 0.00 H new ATOM 1292 N SER A 88 14.698 -1.897 -0.023 1.00 0.00 N ATOM 1293 CA SER A 88 14.130 -0.557 -0.112 1.00 0.00 C ATOM 1294 C SER A 88 12.838 -0.461 0.694 1.00 0.00 C ATOM 1295 O SER A 88 12.272 -1.474 1.102 1.00 0.00 O ATOM 1296 CB SER A 88 13.861 -0.190 -1.573 1.00 0.00 C ATOM 1297 OG SER A 88 13.797 1.215 -1.742 1.00 0.00 O ATOM 0 H SER A 88 14.062 -2.601 0.351 1.00 0.00 H new ATOM 0 HA SER A 88 14.852 0.146 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.649 -0.600 -2.205 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.924 -0.642 -1.898 1.00 0.00 H new ATOM 0 HG SER A 88 13.470 1.422 -2.643 1.00 0.00 H new ATOM 1303 N ASN A 89 12.377 0.766 0.918 1.00 0.00 N ATOM 1304 CA ASN A 89 11.153 0.996 1.675 1.00 0.00 C ATOM 1305 C ASN A 89 10.497 2.310 1.263 1.00 0.00 C ATOM 1306 O ASN A 89 11.165 3.224 0.781 1.00 0.00 O ATOM 1307 CB ASN A 89 11.452 1.011 3.176 1.00 0.00 C ATOM 1308 CG ASN A 89 12.419 2.113 3.562 1.00 0.00 C ATOM 1309 OD1 ASN A 89 13.201 2.585 2.736 1.00 0.00 O ATOM 1310 ND2 ASN A 89 12.369 2.529 4.822 1.00 0.00 N ATOM 0 H ASN A 89 12.833 1.616 0.586 1.00 0.00 H new ATOM 0 HA ASN A 89 10.462 0.182 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.521 1.139 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.867 0.047 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.995 3.269 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.705 2.109 5.472 1.00 0.00 H new ATOM 1317 N ALA A 90 9.185 2.397 1.456 1.00 0.00 N ATOM 1318 CA ALA A 90 8.439 3.599 1.107 1.00 0.00 C ATOM 1319 C ALA A 90 7.312 3.855 2.102 1.00 0.00 C ATOM 1320 O ALA A 90 6.984 2.993 2.917 1.00 0.00 O ATOM 1321 CB ALA A 90 7.883 3.485 -0.305 1.00 0.00 C ATOM 0 H ALA A 90 8.617 1.648 1.853 1.00 0.00 H new ATOM 0 HA ALA A 90 9.124 4.446 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.328 4.390 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.704 3.359 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.218 2.624 -0.366 1.00 0.00 H new ATOM 1327 N SER A 91 6.724 5.045 2.030 1.00 0.00 N ATOM 1328 CA SER A 91 5.636 5.415 2.928 1.00 0.00 C ATOM 1329 C SER A 91 4.615 6.292 2.211 1.00 0.00 C ATOM 1330 O SER A 91 4.904 6.873 1.166 1.00 0.00 O ATOM 1331 CB SER A 91 6.186 6.149 4.153 1.00 0.00 C ATOM 1332 OG SER A 91 6.902 5.265 4.999 1.00 0.00 O ATOM 0 H SER A 91 6.983 5.769 1.360 1.00 0.00 H new ATOM 0 HA SER A 91 5.139 4.501 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.840 6.959 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.365 6.603 4.708 1.00 0.00 H new ATOM 0 HG SER A 91 7.244 5.759 5.773 1.00 0.00 H new ATOM 1338 N ALA A 92 3.418 6.383 2.782 1.00 0.00 N ATOM 1339 CA ALA A 92 2.353 7.191 2.200 1.00 0.00 C ATOM 1340 C ALA A 92 1.190 7.349 3.173 1.00 0.00 C ATOM 1341 O ALA A 92 0.975 6.503 4.041 1.00 0.00 O ATOM 1342 CB ALA A 92 1.874 6.571 0.896 1.00 0.00 C ATOM 0 H ALA A 92 3.162 5.907 3.647 1.00 0.00 H new ATOM 0 HA ALA A 92 2.754 8.183 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.079 7.184 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.705 6.517 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.495 5.567 1.088 1.00 0.00 H new ATOM 1348 N TYR A 93 0.442 8.436 3.022 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.698 8.706 3.890 1.00 0.00 C ATOM 1350 C TYR A 93 -2.012 8.433 3.163 1.00 0.00 C ATOM 1351 O TYR A 93 -2.084 8.510 1.936 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.664 10.156 4.376 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.691 10.461 5.443 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -1.474 10.099 6.767 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -2.877 11.111 5.128 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -2.410 10.375 7.745 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.818 11.392 6.100 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.580 11.022 7.407 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.515 11.299 8.377 1.00 0.00 O ATOM 0 H TYR A 93 0.605 9.145 2.307 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.633 8.040 4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.330 10.376 4.766 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.827 10.819 3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.558 9.593 7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.067 11.402 4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.226 10.085 8.769 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.735 11.899 5.838 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.280 11.759 7.972 1.00 0.00 H new ATOM 1369 N LEU A 94 -3.049 8.115 3.930 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.362 7.830 3.362 1.00 0.00 C ATOM 1371 C LEU A 94 -5.463 8.516 4.165 1.00 0.00 C ATOM 1372 O LEU A 94 -5.776 8.107 5.282 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.607 6.321 3.324 1.00 0.00 C ATOM 1374 CG LEU A 94 -6.024 5.880 2.954 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.219 5.920 1.447 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.306 4.486 3.494 1.00 0.00 C ATOM 0 H LEU A 94 -3.006 8.048 4.947 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.383 8.220 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.912 5.878 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.364 5.909 4.303 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.731 6.574 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.233 5.603 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.060 6.936 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.504 5.249 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.319 4.188 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.593 3.780 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.209 4.490 4.580 1.00 0.00 H new ATOM 1388 N ASN A 95 -6.048 9.560 3.586 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.115 10.301 4.247 1.00 0.00 C ATOM 1390 C ASN A 95 -8.478 9.696 3.925 1.00 0.00 C ATOM 1391 O ASN A 95 -8.818 9.488 2.760 1.00 0.00 O ATOM 1392 CB ASN A 95 -7.084 11.770 3.822 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.216 12.574 4.432 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.870 12.128 5.375 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.452 13.766 3.896 1.00 0.00 N ATOM 0 H ASN A 95 -5.801 9.911 2.661 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.954 10.238 5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.131 12.210 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.143 11.832 2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.201 14.352 4.265 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.885 14.095 3.115 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.256 9.415 4.966 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.583 8.835 4.795 1.00 0.00 C ATOM 1404 C VAL A 96 -11.647 9.686 5.480 1.00 0.00 C ATOM 1405 O VAL A 96 -11.649 9.830 6.702 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.646 7.403 5.357 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.972 6.748 5.003 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.479 6.576 4.840 1.00 0.00 C ATOM 0 H VAL A 96 -8.990 9.580 5.937 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.780 8.805 3.723 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.572 7.454 6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.998 5.737 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.790 7.330 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.080 6.707 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.540 5.567 5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.519 6.531 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.541 7.037 5.150 1.00 0.00 H new ATOM 1418 N SER A 97 -12.551 10.247 4.683 1.00 0.00 N ATOM 1419 CA SER A 97 -13.619 11.087 5.212 1.00 0.00 C ATOM 1420 C SER A 97 -14.975 10.405 5.053 1.00 0.00 C ATOM 1421 O SER A 97 -15.299 9.883 3.986 1.00 0.00 O ATOM 1422 CB SER A 97 -13.631 12.442 4.501 1.00 0.00 C ATOM 1423 OG SER A 97 -14.693 13.254 4.970 1.00 0.00 O ATOM 0 H SER A 97 -12.565 10.135 3.669 1.00 0.00 H new ATOM 0 HA SER A 97 -13.432 11.244 6.274 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.681 12.950 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.731 12.291 3.426 1.00 0.00 H new ATOM 0 HG SER A 97 -14.678 14.115 4.502 1.00 0.00 H new ATOM 1429 N SER A 98 -15.763 10.413 6.123 1.00 0.00 N ATOM 1430 CA SER A 98 -17.083 9.792 6.105 1.00 0.00 C ATOM 1431 C SER A 98 -17.884 10.254 4.892 1.00 0.00 C ATOM 1432 O SER A 98 -17.983 11.450 4.618 1.00 0.00 O ATOM 1433 CB SER A 98 -17.844 10.126 7.390 1.00 0.00 C ATOM 1434 OG SER A 98 -19.181 9.661 7.326 1.00 0.00 O ATOM 0 H SER A 98 -15.511 10.842 7.013 1.00 0.00 H new ATOM 0 HA SER A 98 -16.949 8.712 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.339 9.674 8.244 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.838 11.204 7.550 1.00 0.00 H new ATOM 0 HG SER A 98 -19.646 9.885 8.159 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.454 9.296 4.167 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.239 9.623 2.992 1.00 0.00 C ATOM 1442 C GLY A 99 -20.731 9.526 3.245 1.00 0.00 C ATOM 1443 O GLY A 99 -21.182 8.844 4.165 1.00 0.00 O ATOM 0 H GLY A 99 -18.386 8.299 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -18.994 10.634 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -18.967 8.950 2.179 1.00 0.00 H new ATOM 1447 N PRO A 100 -21.523 10.220 2.414 1.00 0.00 N ATOM 1448 CA PRO A 100 -22.984 10.225 2.533 1.00 0.00 C ATOM 1449 C PRO A 100 -23.601 8.883 2.156 1.00 0.00 C ATOM 1450 O PRO A 100 -24.816 8.703 2.239 1.00 0.00 O ATOM 1451 CB PRO A 100 -23.416 11.310 1.543 1.00 0.00 C ATOM 1452 CG PRO A 100 -22.315 11.369 0.542 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.053 11.054 1.295 1.00 0.00 C ATOM 0 HA PRO A 100 -23.309 10.409 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -24.367 11.060 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -23.550 12.270 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -22.479 10.651 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.259 12.355 0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.335 10.522 0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.559 11.959 1.648 1.00 0.00 H new ATOM 1461 N SER A 101 -22.756 7.944 1.743 1.00 0.00 N ATOM 1462 CA SER A 101 -23.220 6.618 1.350 1.00 0.00 C ATOM 1463 C SER A 101 -24.239 6.080 2.350 1.00 0.00 C ATOM 1464 O SER A 101 -24.120 6.303 3.555 1.00 0.00 O ATOM 1465 CB SER A 101 -22.038 5.653 1.241 1.00 0.00 C ATOM 1466 OG SER A 101 -21.250 5.676 2.419 1.00 0.00 O ATOM 0 H SER A 101 -21.747 8.076 1.672 1.00 0.00 H new ATOM 0 HA SER A 101 -23.702 6.703 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.405 4.642 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.422 5.922 0.383 1.00 0.00 H new ATOM 0 HG SER A 101 -20.502 5.050 2.325 1.00 0.00 H new ATOM 1472 N SER A 102 -25.241 5.372 1.841 1.00 0.00 N ATOM 1473 CA SER A 102 -26.285 4.805 2.687 1.00 0.00 C ATOM 1474 C SER A 102 -25.764 3.592 3.453 1.00 0.00 C ATOM 1475 O SER A 102 -24.947 2.826 2.943 1.00 0.00 O ATOM 1476 CB SER A 102 -27.496 4.407 1.842 1.00 0.00 C ATOM 1477 OG SER A 102 -28.656 4.273 2.645 1.00 0.00 O ATOM 0 H SER A 102 -25.353 5.177 0.846 1.00 0.00 H new ATOM 0 HA SER A 102 -26.588 5.565 3.407 1.00 0.00 H new ATOM 0 HB2 SER A 102 -27.668 5.158 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 102 -27.293 3.466 1.331 1.00 0.00 H new ATOM 0 HG SER A 102 -29.417 4.020 2.081 1.00 0.00 H new ATOM 1483 N GLY A 103 -26.244 3.425 4.682 1.00 0.00 N ATOM 1484 CA GLY A 103 -25.816 2.305 5.499 1.00 0.00 C ATOM 1485 C GLY A 103 -24.335 2.351 5.817 1.00 0.00 C ATOM 1486 O GLY A 103 -23.792 3.413 6.124 1.00 0.00 O ATOM 0 H GLY A 103 -26.921 4.045 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -26.384 2.300 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -26.044 1.373 4.981 1.00 0.00 H new TER 1490 GLY A 103