USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1141 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 117 SER OG : rot -120:sc= 0.642 USER MOD Set 1.2: A 130 HIS : no HE2:sc= -11! C(o=-10!,f=-24!) USER MOD Set 2.1: A 69 ASN : amide:sc= -8.28! C(o=-18!,f=-24!) USER MOD Set 2.2: A 97 GLN : amide:sc= -9.29! C(o=-18!,f=-34!) USER MOD Set 2.3: A 99 SER OG : rot 34:sc= -0.607! USER MOD Set 3.1: A 6 SER OG : rot -28:sc= 1.1 USER MOD Set 3.2: A 125 THR OG1 : rot 79:sc= 0.968 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -2.69 F(o=-8.5!,f=-2.7) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= -0.0174 (180deg=-0.284) USER MOD Single : A 12 LYS NZ :NH3+ -112:sc= -3.76! (180deg=-7.07!) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-2.7,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc=0.000927 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00237 USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 0.0709 (180deg=-0.122) USER MOD Single : A 34 THR OG1 : rot 3:sc= 1! USER MOD Single : A 35 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.8!) USER MOD Single : A 40 THR OG1 : rot 92:sc= -0.0687 USER MOD Single : A 45 THR OG1 : rot 159:sc= 1.21 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.298 F(o=-1.2,f=-0.3) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= -0.165 (180deg=-0.857) USER MOD Single : A 52 MET CE :methyl -146:sc= -0.211 (180deg=-1.07) USER MOD Single : A 53 THR OG1 : rot 114:sc= 0.678 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.547 X(o=-0.55,f=-0.12) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.148 F(o=-1.8!,f=-0.15) USER MOD Single : A 73 TYR OH : rot -92:sc= -0.195! USER MOD Single : A 74 HIS : no HE2:sc= -4.96! C(o=-5!,f=-10!) USER MOD Single : A 76 THR OG1 : rot -170:sc= -1.02 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -3.08 F(o=-4.8!,f=-3.1) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 0.0265 (180deg=0.00615) USER MOD Single : A 95 THR OG1 : rot -75:sc= -0.273 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 125:sc= -0.117 (180deg=-0.834) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.0169 F(o=-2.1!,f=-0.017) USER MOD Single : A 109 THR OG1 : rot 75:sc= 0.647 USER MOD Single : A 113 ASN : amide:sc= -4.28! C(o=-4.3!,f=-12!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -120:sc= -2.77 USER MOD Single : A 123 MET CE :methyl 148:sc= -0.614 (180deg=-1.13) USER MOD Single : A 124 THR OG1 : rot -28:sc= -1.25! USER MOD Single : A 126 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.7!) USER MOD Single : A 134 LYS NZ :NH3+ -153:sc= -0.387 (180deg=-1.41!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.537 11.986 4.518 1.00 0.00 N ATOM 2 CA GLY A 1 -25.460 13.436 4.396 1.00 0.00 C ATOM 3 C GLY A 1 -24.110 13.866 3.829 1.00 0.00 C ATOM 4 O GLY A 1 -24.042 14.491 2.771 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.464 11.719 4.906 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.416 11.552 3.581 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.786 11.651 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.261 13.793 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.611 13.895 5.373 1.00 0.00 H new ATOM 8 N ALA A 2 -23.040 13.524 4.539 1.00 0.00 N ATOM 9 CA ALA A 2 -21.696 13.878 4.097 1.00 0.00 C ATOM 10 C ALA A 2 -21.158 12.826 3.131 1.00 0.00 C ATOM 11 O ALA A 2 -21.812 11.815 2.876 1.00 0.00 O ATOM 12 CB ALA A 2 -20.763 13.996 5.303 1.00 0.00 C ATOM 0 H ALA A 2 -23.076 13.006 5.417 1.00 0.00 H new ATOM 0 HA ALA A 2 -21.742 14.838 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.762 14.261 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.134 14.769 5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.727 13.043 5.830 1.00 0.00 H new ATOM 18 N MET A 3 -19.966 13.074 2.595 1.00 0.00 N ATOM 19 CA MET A 3 -19.354 12.141 1.654 1.00 0.00 C ATOM 20 C MET A 3 -18.259 11.330 2.328 1.00 0.00 C ATOM 21 O MET A 3 -18.046 10.161 2.009 1.00 0.00 O ATOM 22 CB MET A 3 -18.771 12.907 0.466 1.00 0.00 C ATOM 23 CG MET A 3 -19.831 13.854 -0.099 1.00 0.00 C ATOM 24 SD MET A 3 -19.333 15.568 0.204 1.00 0.00 S ATOM 25 CE MET A 3 -20.993 16.286 0.228 1.00 0.00 C ATOM 0 H MET A 3 -19.409 13.905 2.794 1.00 0.00 H new ATOM 0 HA MET A 3 -20.125 11.455 1.302 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.893 13.472 0.779 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.443 12.209 -0.305 1.00 0.00 H new ATOM 0 HG2 MET A 3 -19.953 13.683 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.796 13.657 0.368 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.923 17.359 0.404 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.481 16.107 -0.730 1.00 0.00 H new ATOM 0 HE3 MET A 3 -21.577 15.825 1.024 1.00 0.00 H new ATOM 35 N GLU A 4 -17.573 11.965 3.260 1.00 0.00 N ATOM 36 CA GLU A 4 -16.491 11.313 3.992 1.00 0.00 C ATOM 37 C GLU A 4 -15.544 10.590 3.036 1.00 0.00 C ATOM 38 O GLU A 4 -15.854 9.506 2.540 1.00 0.00 O ATOM 39 CB GLU A 4 -17.064 10.310 4.993 1.00 0.00 C ATOM 40 CG GLU A 4 -17.716 11.060 6.156 1.00 0.00 C ATOM 41 CD GLU A 4 -18.537 10.093 7.004 1.00 0.00 C ATOM 42 OE1 GLU A 4 -17.993 9.076 7.401 1.00 0.00 O ATOM 43 OE2 GLU A 4 -19.697 10.385 7.243 1.00 0.00 O ATOM 0 H GLU A 4 -17.742 12.933 3.532 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.932 12.083 4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.798 9.671 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.272 9.660 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.950 11.534 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.356 11.855 5.774 1.00 0.00 H new ATOM 50 N LYS A 5 -14.389 11.195 2.785 1.00 0.00 N ATOM 51 CA LYS A 5 -13.404 10.600 1.888 1.00 0.00 C ATOM 52 C LYS A 5 -12.756 9.377 2.532 1.00 0.00 C ATOM 53 O LYS A 5 -11.823 9.500 3.324 1.00 0.00 O ATOM 54 CB LYS A 5 -12.324 11.628 1.545 1.00 0.00 C ATOM 55 CG LYS A 5 -12.877 12.632 0.528 1.00 0.00 C ATOM 56 CD LYS A 5 -12.514 12.191 -0.895 1.00 0.00 C ATOM 57 CE LYS A 5 -13.000 13.244 -1.891 1.00 0.00 C ATOM 58 NZ LYS A 5 -11.985 14.329 -2.000 1.00 0.00 N ATOM 0 H LYS A 5 -14.112 12.091 3.186 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.915 10.288 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.003 12.148 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.447 11.127 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.960 12.706 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.470 13.624 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.435 12.061 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.971 11.226 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.167 12.788 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.955 13.656 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.315 15.046 -2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.847 14.770 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.084 13.929 -2.330 1.00 0.00 H new ATOM 72 N SER A 6 -13.257 8.196 2.186 1.00 0.00 N ATOM 73 CA SER A 6 -12.715 6.961 2.739 1.00 0.00 C ATOM 74 C SER A 6 -11.736 6.330 1.756 1.00 0.00 C ATOM 75 O SER A 6 -11.698 6.700 0.583 1.00 0.00 O ATOM 76 CB SER A 6 -13.846 5.979 3.044 1.00 0.00 C ATOM 77 OG SER A 6 -14.909 6.676 3.681 1.00 0.00 O ATOM 0 H SER A 6 -14.029 8.068 1.532 1.00 0.00 H new ATOM 0 HA SER A 6 -12.189 7.196 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.199 5.515 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.484 5.177 3.687 1.00 0.00 H new ATOM 0 HG SER A 6 -14.550 7.448 4.166 1.00 0.00 H new ATOM 83 N LEU A 7 -10.936 5.388 2.241 1.00 0.00 N ATOM 84 CA LEU A 7 -9.957 4.732 1.385 1.00 0.00 C ATOM 85 C LEU A 7 -10.611 4.259 0.093 1.00 0.00 C ATOM 86 O LEU A 7 -10.273 4.727 -0.994 1.00 0.00 O ATOM 87 CB LEU A 7 -9.331 3.538 2.111 1.00 0.00 C ATOM 88 CG LEU A 7 -8.880 3.969 3.511 1.00 0.00 C ATOM 89 CD1 LEU A 7 -9.992 3.730 4.540 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.641 3.164 3.912 1.00 0.00 C ATOM 0 H LEU A 7 -10.945 5.065 3.209 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.176 5.453 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.053 2.725 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.481 3.159 1.544 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.648 5.034 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.649 4.043 5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.874 4.307 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.244 2.670 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.317 3.467 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.884 2.101 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.839 3.349 3.197 1.00 0.00 H new ATOM 102 N HIS A 8 -11.556 3.335 0.222 1.00 0.00 N ATOM 103 CA HIS A 8 -12.261 2.810 -0.938 1.00 0.00 C ATOM 104 C HIS A 8 -12.595 3.930 -1.915 1.00 0.00 C ATOM 105 O HIS A 8 -12.247 3.861 -3.094 1.00 0.00 O ATOM 106 CB HIS A 8 -13.557 2.128 -0.494 1.00 0.00 C ATOM 107 CG HIS A 8 -13.788 2.341 0.989 1.00 0.00 C ATOM 108 ND1 HIS A 8 -13.116 1.904 2.113 1.00 0.00 N flip ATOM 109 CD2 HIS A 8 -14.852 3.096 1.462 1.00 0.00 C flip ATOM 110 CE1 HIS A 8 -13.754 2.380 3.254 1.00 0.00 C flip ATOM 111 NE2 HIS A 8 -14.790 3.090 2.806 1.00 0.00 N flip ATOM 0 H HIS A 8 -11.850 2.936 1.114 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.614 2.087 -1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.398 2.528 -1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.506 1.061 -0.711 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -15.595 3.598 0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -13.471 2.211 4.282 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.456 3.571 3.410 1.00 0.00 H new ATOM 120 N GLU A 9 -13.271 4.958 -1.422 1.00 0.00 N ATOM 121 CA GLU A 9 -13.642 6.082 -2.271 1.00 0.00 C ATOM 122 C GLU A 9 -12.423 6.596 -3.032 1.00 0.00 C ATOM 123 O GLU A 9 -12.483 6.827 -4.238 1.00 0.00 O ATOM 124 CB GLU A 9 -14.228 7.208 -1.418 1.00 0.00 C ATOM 125 CG GLU A 9 -15.482 7.760 -2.097 1.00 0.00 C ATOM 126 CD GLU A 9 -16.613 6.740 -2.016 1.00 0.00 C ATOM 127 OE1 GLU A 9 -16.484 5.802 -1.246 1.00 0.00 O ATOM 128 OE2 GLU A 9 -17.592 6.912 -2.724 1.00 0.00 O ATOM 0 H GLU A 9 -13.571 5.038 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.391 5.745 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.474 6.836 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.492 8.002 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.786 8.690 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.267 7.995 -3.140 1.00 0.00 H new ATOM 135 N LYS A 10 -11.318 6.772 -2.315 1.00 0.00 N ATOM 136 CA LYS A 10 -10.086 7.264 -2.927 1.00 0.00 C ATOM 137 C LYS A 10 -9.676 6.390 -4.112 1.00 0.00 C ATOM 138 O LYS A 10 -9.510 6.881 -5.229 1.00 0.00 O ATOM 139 CB LYS A 10 -8.961 7.276 -1.885 1.00 0.00 C ATOM 140 CG LYS A 10 -8.161 8.580 -1.982 1.00 0.00 C ATOM 141 CD LYS A 10 -8.895 9.707 -1.242 1.00 0.00 C ATOM 142 CE LYS A 10 -8.017 10.959 -1.219 1.00 0.00 C ATOM 143 NZ LYS A 10 -7.823 11.458 -2.609 1.00 0.00 N ATOM 0 H LYS A 10 -11.249 6.583 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.264 8.276 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.381 7.173 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.301 6.423 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.169 8.439 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.021 8.853 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.843 9.923 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.129 9.396 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.483 11.731 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.052 10.731 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.452 12.429 -2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.148 10.844 -3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.734 11.450 -3.111 1.00 0.00 H new ATOM 157 N LEU A 11 -9.516 5.097 -3.862 1.00 0.00 N ATOM 158 CA LEU A 11 -9.127 4.161 -4.919 1.00 0.00 C ATOM 159 C LEU A 11 -10.136 4.203 -6.061 1.00 0.00 C ATOM 160 O LEU A 11 -9.775 4.051 -7.229 1.00 0.00 O ATOM 161 CB LEU A 11 -9.054 2.738 -4.359 1.00 0.00 C ATOM 162 CG LEU A 11 -8.372 2.762 -2.990 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.105 1.332 -2.517 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.049 3.523 -3.095 1.00 0.00 C ATOM 0 H LEU A 11 -9.647 4.671 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.147 4.454 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.056 2.319 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.499 2.095 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.024 3.259 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.619 1.356 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.049 0.792 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.456 0.827 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.561 3.541 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.400 3.026 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.242 4.544 -3.423 1.00 0.00 H new ATOM 176 N LYS A 12 -11.401 4.408 -5.715 1.00 0.00 N ATOM 177 CA LYS A 12 -12.459 4.467 -6.717 1.00 0.00 C ATOM 178 C LYS A 12 -12.533 5.856 -7.347 1.00 0.00 C ATOM 179 O LYS A 12 -13.109 6.027 -8.421 1.00 0.00 O ATOM 180 CB LYS A 12 -13.809 4.118 -6.079 1.00 0.00 C ATOM 181 CG LYS A 12 -13.789 2.707 -5.485 1.00 0.00 C ATOM 182 CD LYS A 12 -14.822 2.618 -4.360 1.00 0.00 C ATOM 183 CE LYS A 12 -14.940 1.168 -3.887 1.00 0.00 C ATOM 184 NZ LYS A 12 -13.703 0.785 -3.148 1.00 0.00 N ATOM 0 H LYS A 12 -11.718 4.536 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.229 3.742 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.044 4.841 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.598 4.190 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.012 1.971 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.795 2.475 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.527 3.259 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.789 2.977 -4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.812 1.054 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.086 0.506 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.176 0.076 -3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.108 1.626 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.961 0.385 -2.223 1.00 0.00 H new ATOM 198 N GLN A 13 -11.944 6.845 -6.682 1.00 0.00 N ATOM 199 CA GLN A 13 -11.951 8.207 -7.200 1.00 0.00 C ATOM 200 C GLN A 13 -10.622 8.520 -7.880 1.00 0.00 C ATOM 201 O GLN A 13 -10.507 9.493 -8.626 1.00 0.00 O ATOM 202 CB GLN A 13 -12.188 9.199 -6.061 1.00 0.00 C ATOM 203 CG GLN A 13 -13.690 9.340 -5.797 1.00 0.00 C ATOM 204 CD GLN A 13 -13.931 10.361 -4.691 1.00 0.00 C ATOM 205 OE1 GLN A 13 -13.192 10.332 -3.615 1.00 0.00 O flip ATOM 206 NE2 GLN A 13 -14.817 11.207 -4.808 1.00 0.00 N flip ATOM 0 H GLN A 13 -11.460 6.730 -5.791 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.755 8.297 -7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.682 8.857 -5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.762 10.169 -6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.200 9.652 -6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.109 8.376 -5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.394 11.229 -5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.975 11.887 -4.064 1.00 0.00 H new ATOM 215 N ASP A 14 -9.619 7.687 -7.617 1.00 0.00 N ATOM 216 CA ASP A 14 -8.301 7.880 -8.205 1.00 0.00 C ATOM 217 C ASP A 14 -8.145 7.031 -9.464 1.00 0.00 C ATOM 218 O ASP A 14 -8.298 5.810 -9.424 1.00 0.00 O ATOM 219 CB ASP A 14 -7.223 7.500 -7.193 1.00 0.00 C ATOM 220 CG ASP A 14 -6.907 8.692 -6.295 1.00 0.00 C ATOM 221 OD1 ASP A 14 -5.823 8.716 -5.735 1.00 0.00 O ATOM 222 OD2 ASP A 14 -7.753 9.562 -6.180 1.00 0.00 O ATOM 0 H ASP A 14 -9.695 6.876 -7.003 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.193 8.930 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.561 6.658 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.321 7.177 -7.714 1.00 0.00 H new ATOM 227 N LYS A 15 -7.841 7.686 -10.579 1.00 0.00 N ATOM 228 CA LYS A 15 -7.669 6.984 -11.847 1.00 0.00 C ATOM 229 C LYS A 15 -6.287 6.339 -11.926 1.00 0.00 C ATOM 230 O LYS A 15 -6.025 5.516 -12.805 1.00 0.00 O ATOM 231 CB LYS A 15 -7.849 7.964 -13.009 1.00 0.00 C ATOM 232 CG LYS A 15 -9.317 7.975 -13.438 1.00 0.00 C ATOM 233 CD LYS A 15 -9.522 9.001 -14.556 1.00 0.00 C ATOM 234 CE LYS A 15 -9.268 10.418 -14.028 1.00 0.00 C ATOM 235 NZ LYS A 15 -10.099 11.387 -14.797 1.00 0.00 N ATOM 0 H LYS A 15 -7.709 8.696 -10.632 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.422 6.198 -11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.539 8.964 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.215 7.673 -13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.612 6.984 -13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.953 8.219 -12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.846 8.787 -15.384 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.537 8.927 -14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.513 10.473 -12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.212 10.670 -14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.929 12.349 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.844 11.340 -15.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.105 11.149 -14.683 1.00 0.00 H new ATOM 249 N ARG A 16 -5.410 6.716 -11.003 1.00 0.00 N ATOM 250 CA ARG A 16 -4.054 6.170 -10.971 1.00 0.00 C ATOM 251 C ARG A 16 -4.068 4.760 -10.395 1.00 0.00 C ATOM 252 O ARG A 16 -3.315 3.887 -10.827 1.00 0.00 O ATOM 253 CB ARG A 16 -3.161 7.066 -10.116 1.00 0.00 C ATOM 254 CG ARG A 16 -3.227 8.501 -10.648 1.00 0.00 C ATOM 255 CD ARG A 16 -3.539 9.476 -9.509 1.00 0.00 C ATOM 256 NE ARG A 16 -3.785 10.812 -10.042 1.00 0.00 N ATOM 257 CZ ARG A 16 -4.045 11.834 -9.233 1.00 0.00 C ATOM 258 NH1 ARG A 16 -4.074 11.649 -7.943 1.00 0.00 N ATOM 259 NH2 ARG A 16 -4.279 13.020 -9.729 1.00 0.00 N ATOM 0 H ARG A 16 -5.610 7.395 -10.268 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.664 6.132 -11.988 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.485 7.036 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.133 6.704 -10.140 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.278 8.767 -11.114 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.993 8.575 -11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.412 9.131 -8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.706 9.505 -8.807 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.757 10.964 -11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.897 10.722 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.273 12.432 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.262 13.163 -10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.478 13.803 -9.106 1.00 0.00 H new ATOM 273 N PHE A 17 -4.933 4.556 -9.413 1.00 0.00 N ATOM 274 CA PHE A 17 -5.056 3.252 -8.760 1.00 0.00 C ATOM 275 C PHE A 17 -6.280 2.490 -9.255 1.00 0.00 C ATOM 276 O PHE A 17 -6.788 1.601 -8.573 1.00 0.00 O ATOM 277 CB PHE A 17 -5.147 3.438 -7.248 1.00 0.00 C ATOM 278 CG PHE A 17 -4.280 4.602 -6.826 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.012 4.787 -7.398 1.00 0.00 C ATOM 280 CD2 PHE A 17 -4.741 5.489 -5.846 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.211 5.861 -6.988 1.00 0.00 C ATOM 282 CE2 PHE A 17 -3.941 6.563 -5.440 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.675 6.749 -6.010 1.00 0.00 C ATOM 0 H PHE A 17 -5.561 5.272 -9.048 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.170 2.668 -9.010 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.182 3.618 -6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.825 2.529 -6.740 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.654 4.103 -8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.715 5.344 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.235 6.004 -7.427 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.300 7.249 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.057 7.577 -5.695 1.00 0.00 H new ATOM 293 N SER A 18 -6.739 2.830 -10.449 1.00 0.00 N ATOM 294 CA SER A 18 -7.891 2.163 -11.030 1.00 0.00 C ATOM 295 C SER A 18 -7.571 0.699 -11.330 1.00 0.00 C ATOM 296 O SER A 18 -8.388 -0.201 -11.090 1.00 0.00 O ATOM 297 CB SER A 18 -8.280 2.872 -12.326 1.00 0.00 C ATOM 298 OG SER A 18 -9.383 3.736 -12.083 1.00 0.00 O ATOM 0 H SER A 18 -6.333 3.561 -11.032 1.00 0.00 H new ATOM 0 HA SER A 18 -8.716 2.201 -10.319 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.434 3.444 -12.708 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.540 2.139 -13.090 1.00 0.00 H new ATOM 0 HG SER A 18 -9.631 4.192 -12.914 1.00 0.00 H new ATOM 304 N THR A 19 -6.374 0.464 -11.851 1.00 0.00 N ATOM 305 CA THR A 19 -5.955 -0.892 -12.181 1.00 0.00 C ATOM 306 C THR A 19 -6.059 -1.789 -10.960 1.00 0.00 C ATOM 307 O THR A 19 -6.623 -2.888 -11.018 1.00 0.00 O ATOM 308 CB THR A 19 -4.510 -0.890 -12.681 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.356 0.099 -13.689 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.172 -2.266 -13.257 1.00 0.00 C ATOM 0 H THR A 19 -5.682 1.186 -12.053 1.00 0.00 H new ATOM 0 HA THR A 19 -6.611 -1.272 -12.964 1.00 0.00 H new ATOM 0 HB THR A 19 -3.838 -0.667 -11.852 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.429 0.100 -14.007 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.142 -2.268 -13.614 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.288 -3.023 -12.482 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.844 -2.489 -14.086 1.00 0.00 H new ATOM 318 N PHE A 20 -5.502 -1.312 -9.856 1.00 0.00 N ATOM 319 CA PHE A 20 -5.524 -2.062 -8.616 1.00 0.00 C ATOM 320 C PHE A 20 -6.956 -2.394 -8.234 1.00 0.00 C ATOM 321 O PHE A 20 -7.257 -3.510 -7.823 1.00 0.00 O ATOM 322 CB PHE A 20 -4.851 -1.251 -7.512 1.00 0.00 C ATOM 323 CG PHE A 20 -3.414 -0.887 -7.885 1.00 0.00 C ATOM 324 CD1 PHE A 20 -2.713 -0.012 -7.048 1.00 0.00 C ATOM 325 CD2 PHE A 20 -2.773 -1.402 -9.044 1.00 0.00 C ATOM 326 CE1 PHE A 20 -1.397 0.351 -7.351 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.458 -1.032 -9.333 1.00 0.00 C ATOM 328 CZ PHE A 20 -0.773 -0.159 -8.493 1.00 0.00 C ATOM 0 H PHE A 20 -5.031 -0.409 -9.797 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.977 -2.995 -8.750 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.422 -0.341 -7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.854 -1.823 -6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.190 0.385 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.302 -2.078 -9.700 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.861 1.027 -6.701 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.970 -1.425 -10.213 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.243 0.125 -8.724 1.00 0.00 H new ATOM 338 N LEU A 21 -7.846 -1.425 -8.386 1.00 0.00 N ATOM 339 CA LEU A 21 -9.245 -1.646 -8.058 1.00 0.00 C ATOM 340 C LEU A 21 -9.773 -2.849 -8.831 1.00 0.00 C ATOM 341 O LEU A 21 -10.530 -3.661 -8.296 1.00 0.00 O ATOM 342 CB LEU A 21 -10.066 -0.402 -8.423 1.00 0.00 C ATOM 343 CG LEU A 21 -11.223 -0.227 -7.432 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.062 0.956 -7.842 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.086 -1.491 -7.410 1.00 0.00 C ATOM 0 H LEU A 21 -7.628 -0.490 -8.730 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.334 -1.837 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.428 0.482 -8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.456 -0.498 -9.436 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.819 -0.056 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.884 1.080 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.446 1.856 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.463 0.789 -8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.906 -1.360 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.490 -1.673 -8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.477 -2.342 -7.105 1.00 0.00 H new ATOM 357 N SER A 22 -9.370 -2.955 -10.097 1.00 0.00 N ATOM 358 CA SER A 22 -9.828 -4.058 -10.950 1.00 0.00 C ATOM 359 C SER A 22 -9.287 -5.412 -10.495 1.00 0.00 C ATOM 360 O SER A 22 -10.050 -6.334 -10.194 1.00 0.00 O ATOM 361 CB SER A 22 -9.397 -3.817 -12.396 1.00 0.00 C ATOM 362 OG SER A 22 -9.079 -5.066 -13.003 1.00 0.00 O ATOM 0 H SER A 22 -8.735 -2.300 -10.553 1.00 0.00 H new ATOM 0 HA SER A 22 -10.915 -4.084 -10.873 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.196 -3.323 -12.949 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.532 -3.154 -12.425 1.00 0.00 H new ATOM 0 HG SER A 22 -8.803 -4.918 -13.932 1.00 0.00 H new ATOM 368 N LEU A 23 -7.971 -5.537 -10.461 1.00 0.00 N ATOM 369 CA LEU A 23 -7.336 -6.799 -10.064 1.00 0.00 C ATOM 370 C LEU A 23 -7.612 -7.139 -8.596 1.00 0.00 C ATOM 371 O LEU A 23 -7.898 -8.287 -8.261 1.00 0.00 O ATOM 372 CB LEU A 23 -5.823 -6.714 -10.301 1.00 0.00 C ATOM 373 CG LEU A 23 -5.256 -5.494 -9.554 1.00 0.00 C ATOM 374 CD1 LEU A 23 -4.663 -5.921 -8.210 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.150 -4.820 -10.377 1.00 0.00 C ATOM 0 H LEU A 23 -7.319 -4.790 -10.700 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.764 -7.594 -10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.337 -7.626 -9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.615 -6.630 -11.368 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.076 -4.793 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.266 -5.047 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.440 -6.382 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.860 -6.639 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.763 -3.960 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.343 -5.531 -10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.558 -4.490 -11.332 1.00 0.00 H new ATOM 387 N LEU A 24 -7.518 -6.141 -7.717 1.00 0.00 N ATOM 388 CA LEU A 24 -7.752 -6.381 -6.295 1.00 0.00 C ATOM 389 C LEU A 24 -9.204 -6.753 -6.063 1.00 0.00 C ATOM 390 O LEU A 24 -9.523 -7.496 -5.135 1.00 0.00 O ATOM 391 CB LEU A 24 -7.354 -5.152 -5.456 1.00 0.00 C ATOM 392 CG LEU A 24 -8.536 -4.174 -5.305 1.00 0.00 C ATOM 393 CD1 LEU A 24 -9.513 -4.632 -4.215 1.00 0.00 C ATOM 394 CD2 LEU A 24 -7.994 -2.814 -4.900 1.00 0.00 C ATOM 0 H LEU A 24 -7.286 -5.177 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.126 -7.214 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.017 -5.475 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.515 -4.642 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.063 -4.133 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.333 -3.918 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.910 -5.614 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.991 -4.690 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.820 -2.111 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.463 -2.902 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.310 -2.452 -5.667 1.00 0.00 H new ATOM 406 N GLU A 25 -10.084 -6.242 -6.915 1.00 0.00 N ATOM 407 CA GLU A 25 -11.501 -6.545 -6.793 1.00 0.00 C ATOM 408 C GLU A 25 -11.756 -8.018 -7.088 1.00 0.00 C ATOM 409 O GLU A 25 -12.526 -8.674 -6.391 1.00 0.00 O ATOM 410 CB GLU A 25 -12.287 -5.678 -7.777 1.00 0.00 C ATOM 411 CG GLU A 25 -13.637 -6.319 -8.069 1.00 0.00 C ATOM 412 CD GLU A 25 -14.593 -5.275 -8.637 1.00 0.00 C ATOM 413 OE1 GLU A 25 -14.116 -4.238 -9.069 1.00 0.00 O ATOM 414 OE2 GLU A 25 -15.785 -5.529 -8.635 1.00 0.00 O ATOM 0 H GLU A 25 -9.844 -5.623 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.825 -6.333 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.431 -4.680 -7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.723 -5.560 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.515 -7.138 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.052 -6.747 -7.156 1.00 0.00 H new ATOM 421 N ALA A 26 -11.098 -8.535 -8.117 1.00 0.00 N ATOM 422 CA ALA A 26 -11.268 -9.935 -8.477 1.00 0.00 C ATOM 423 C ALA A 26 -10.777 -10.838 -7.351 1.00 0.00 C ATOM 424 O ALA A 26 -11.363 -11.892 -7.086 1.00 0.00 O ATOM 425 CB ALA A 26 -10.501 -10.255 -9.763 1.00 0.00 C ATOM 0 H ALA A 26 -10.451 -8.015 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.330 -10.116 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.639 -11.306 -10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.877 -9.633 -10.575 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.440 -10.055 -9.613 1.00 0.00 H new ATOM 431 N ALA A 27 -9.703 -10.422 -6.687 1.00 0.00 N ATOM 432 CA ALA A 27 -9.151 -11.205 -5.585 1.00 0.00 C ATOM 433 C ALA A 27 -10.103 -11.188 -4.396 1.00 0.00 C ATOM 434 O ALA A 27 -9.932 -11.952 -3.447 1.00 0.00 O ATOM 435 CB ALA A 27 -7.800 -10.637 -5.159 1.00 0.00 C ATOM 0 H ALA A 27 -9.202 -9.557 -6.889 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.019 -12.232 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.399 -11.230 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.109 -10.671 -6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.926 -9.604 -4.834 1.00 0.00 H new ATOM 441 N ASP A 28 -11.102 -10.312 -4.460 1.00 0.00 N ATOM 442 CA ASP A 28 -12.091 -10.195 -3.388 1.00 0.00 C ATOM 443 C ASP A 28 -11.521 -9.413 -2.209 1.00 0.00 C ATOM 444 O ASP A 28 -11.720 -9.788 -1.053 1.00 0.00 O ATOM 445 CB ASP A 28 -12.546 -11.585 -2.914 1.00 0.00 C ATOM 446 CG ASP A 28 -12.584 -12.562 -4.088 1.00 0.00 C ATOM 447 OD1 ASP A 28 -12.005 -13.630 -3.963 1.00 0.00 O ATOM 448 OD2 ASP A 28 -13.189 -12.226 -5.091 1.00 0.00 O ATOM 0 H ASP A 28 -11.250 -9.673 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.951 -9.657 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.866 -11.955 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.534 -11.516 -2.458 1.00 0.00 H new ATOM 453 N LEU A 29 -10.823 -8.317 -2.510 1.00 0.00 N ATOM 454 CA LEU A 29 -10.238 -7.479 -1.463 1.00 0.00 C ATOM 455 C LEU A 29 -11.013 -6.179 -1.333 1.00 0.00 C ATOM 456 O LEU A 29 -10.512 -5.192 -0.795 1.00 0.00 O ATOM 457 CB LEU A 29 -8.756 -7.192 -1.759 1.00 0.00 C ATOM 458 CG LEU A 29 -7.857 -8.052 -0.855 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.947 -7.599 0.596 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.277 -9.521 -0.933 1.00 0.00 C ATOM 0 H LEU A 29 -10.650 -7.991 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.299 -8.019 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.539 -7.403 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.543 -6.135 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.831 -7.936 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.302 -8.224 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.627 -6.560 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.977 -7.688 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.632 -10.118 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.312 -9.622 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.187 -9.871 -1.961 1.00 0.00 H new ATOM 472 N LYS A 30 -12.245 -6.198 -1.822 1.00 0.00 N ATOM 473 CA LYS A 30 -13.105 -5.029 -1.755 1.00 0.00 C ATOM 474 C LYS A 30 -14.258 -5.264 -0.781 1.00 0.00 C ATOM 475 O LYS A 30 -15.088 -4.384 -0.554 1.00 0.00 O ATOM 476 CB LYS A 30 -13.643 -4.660 -3.147 1.00 0.00 C ATOM 477 CG LYS A 30 -14.091 -5.904 -3.933 1.00 0.00 C ATOM 478 CD LYS A 30 -15.571 -6.201 -3.671 1.00 0.00 C ATOM 479 CE LYS A 30 -15.802 -7.707 -3.771 1.00 0.00 C ATOM 480 NZ LYS A 30 -15.451 -8.166 -5.145 1.00 0.00 N ATOM 0 H LYS A 30 -12.670 -7.011 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.508 -4.193 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.483 -3.974 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.870 -4.134 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.929 -5.745 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.485 -6.762 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.858 -5.841 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.194 -5.676 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.194 -8.230 -3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.843 -7.943 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.866 -9.104 -5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.825 -7.491 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.417 -8.223 -5.238 1.00 0.00 H new ATOM 494 N GLU A 31 -14.307 -6.459 -0.211 1.00 0.00 N ATOM 495 CA GLU A 31 -15.362 -6.795 0.747 1.00 0.00 C ATOM 496 C GLU A 31 -14.971 -6.369 2.165 1.00 0.00 C ATOM 497 O GLU A 31 -15.826 -6.068 2.993 1.00 0.00 O ATOM 498 CB GLU A 31 -15.653 -8.293 0.710 1.00 0.00 C ATOM 499 CG GLU A 31 -17.146 -8.512 0.453 1.00 0.00 C ATOM 500 CD GLU A 31 -17.441 -10.002 0.332 1.00 0.00 C ATOM 501 OE1 GLU A 31 -18.337 -10.465 1.016 1.00 0.00 O ATOM 502 OE2 GLU A 31 -16.767 -10.657 -0.446 1.00 0.00 O ATOM 0 H GLU A 31 -13.638 -7.208 -0.389 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.263 -6.251 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.064 -8.770 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.363 -8.755 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.730 -8.082 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.445 -7.998 -0.461 1.00 0.00 H new ATOM 509 N LEU A 32 -13.673 -6.362 2.434 1.00 0.00 N ATOM 510 CA LEU A 32 -13.158 -5.977 3.751 1.00 0.00 C ATOM 511 C LEU A 32 -12.969 -4.462 3.876 1.00 0.00 C ATOM 512 O LEU A 32 -13.155 -3.887 4.945 1.00 0.00 O ATOM 513 CB LEU A 32 -11.817 -6.698 4.019 1.00 0.00 C ATOM 514 CG LEU A 32 -10.608 -5.932 3.417 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.318 -6.636 3.847 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.674 -5.946 1.890 1.00 0.00 C ATOM 0 H LEU A 32 -12.952 -6.618 1.760 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.896 -6.277 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.675 -6.810 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.856 -7.702 3.596 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.630 -4.901 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.460 -6.108 3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.250 -6.639 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.325 -7.663 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.819 -5.405 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.654 -6.976 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.596 -5.467 1.561 1.00 0.00 H new ATOM 528 N LEU A 33 -12.557 -3.825 2.783 1.00 0.00 N ATOM 529 CA LEU A 33 -12.298 -2.391 2.798 1.00 0.00 C ATOM 530 C LEU A 33 -13.576 -1.597 3.012 1.00 0.00 C ATOM 531 O LEU A 33 -13.534 -0.399 3.289 1.00 0.00 O ATOM 532 CB LEU A 33 -11.592 -1.981 1.489 1.00 0.00 C ATOM 533 CG LEU A 33 -12.570 -1.352 0.493 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.850 -1.033 -0.818 1.00 0.00 C ATOM 535 CD2 LEU A 33 -13.710 -2.309 0.207 1.00 0.00 C ATOM 0 H LEU A 33 -12.397 -4.277 1.883 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.642 -2.162 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.794 -1.273 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.125 -2.856 1.038 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.964 -0.434 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.554 -0.586 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.036 -0.334 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.446 -1.951 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.400 -1.852 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.313 -3.232 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.238 -2.533 1.134 1.00 0.00 H new ATOM 547 N THR A 34 -14.709 -2.255 2.863 1.00 0.00 N ATOM 548 CA THR A 34 -15.989 -1.579 3.026 1.00 0.00 C ATOM 549 C THR A 34 -16.440 -1.660 4.472 1.00 0.00 C ATOM 550 O THR A 34 -17.495 -1.147 4.830 1.00 0.00 O ATOM 551 CB THR A 34 -17.046 -2.217 2.124 1.00 0.00 C ATOM 552 OG1 THR A 34 -18.338 -1.841 2.577 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.903 -3.734 2.185 1.00 0.00 C ATOM 0 H THR A 34 -14.774 -3.246 2.632 1.00 0.00 H new ATOM 0 HA THR A 34 -15.866 -0.533 2.745 1.00 0.00 H new ATOM 0 HB THR A 34 -16.911 -1.879 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.253 -1.221 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.654 -4.196 1.544 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.908 -4.020 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.045 -4.072 3.212 1.00 0.00 H new ATOM 561 N GLN A 35 -15.633 -2.317 5.300 1.00 0.00 N ATOM 562 CA GLN A 35 -15.967 -2.467 6.709 1.00 0.00 C ATOM 563 C GLN A 35 -15.128 -1.500 7.565 1.00 0.00 C ATOM 564 O GLN A 35 -13.901 -1.586 7.558 1.00 0.00 O ATOM 565 CB GLN A 35 -15.707 -3.909 7.164 1.00 0.00 C ATOM 566 CG GLN A 35 -16.125 -4.902 6.066 1.00 0.00 C ATOM 567 CD GLN A 35 -17.631 -4.812 5.803 1.00 0.00 C ATOM 568 OE1 GLN A 35 -18.352 -4.125 6.525 1.00 0.00 O ATOM 569 NE2 GLN A 35 -18.151 -5.478 4.807 1.00 0.00 N ATOM 0 H GLN A 35 -14.752 -2.749 5.022 1.00 0.00 H new ATOM 0 HA GLN A 35 -17.024 -2.233 6.838 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.650 -4.038 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.263 -4.114 8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.577 -4.690 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.863 -5.916 6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.554 -6.048 4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -19.154 -5.428 4.629 1.00 0.00 H new ATOM 578 N PRO A 36 -15.738 -0.584 8.297 1.00 0.00 N ATOM 579 CA PRO A 36 -14.986 0.387 9.149 1.00 0.00 C ATOM 580 C PRO A 36 -13.783 -0.249 9.846 1.00 0.00 C ATOM 581 O PRO A 36 -13.879 -1.350 10.386 1.00 0.00 O ATOM 582 CB PRO A 36 -16.035 0.833 10.167 1.00 0.00 C ATOM 583 CG PRO A 36 -17.331 0.767 9.433 1.00 0.00 C ATOM 584 CD PRO A 36 -17.197 -0.356 8.403 1.00 0.00 C ATOM 0 HA PRO A 36 -14.561 1.204 8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.041 0.180 11.040 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.834 1.843 10.525 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -18.154 0.567 10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.547 1.717 8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.718 -1.257 8.727 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.625 -0.068 7.443 1.00 0.00 H new ATOM 592 N GLY A 37 -12.650 0.456 9.832 1.00 0.00 N ATOM 593 CA GLY A 37 -11.440 -0.047 10.466 1.00 0.00 C ATOM 594 C GLY A 37 -10.258 0.859 10.148 1.00 0.00 C ATOM 595 O GLY A 37 -10.297 1.619 9.187 1.00 0.00 O ATOM 0 H GLY A 37 -12.550 1.370 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.584 -0.103 11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.234 -1.060 10.119 1.00 0.00 H new ATOM 599 N ASP A 38 -9.213 0.771 10.962 1.00 0.00 N ATOM 600 CA ASP A 38 -8.018 1.591 10.761 1.00 0.00 C ATOM 601 C ASP A 38 -6.829 0.727 10.351 1.00 0.00 C ATOM 602 O ASP A 38 -6.392 -0.145 11.104 1.00 0.00 O ATOM 603 CB ASP A 38 -7.680 2.344 12.048 1.00 0.00 C ATOM 604 CG ASP A 38 -8.817 2.197 13.052 1.00 0.00 C ATOM 605 OD1 ASP A 38 -8.863 1.178 13.722 1.00 0.00 O ATOM 606 OD2 ASP A 38 -9.627 3.105 13.137 1.00 0.00 O ATOM 0 H ASP A 38 -9.166 0.144 11.765 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.224 2.304 9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.755 1.955 12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.512 3.398 11.829 1.00 0.00 H new ATOM 611 N TRP A 39 -6.307 0.975 9.153 1.00 0.00 N ATOM 612 CA TRP A 39 -5.168 0.213 8.654 1.00 0.00 C ATOM 613 C TRP A 39 -4.353 1.044 7.670 1.00 0.00 C ATOM 614 O TRP A 39 -4.799 2.100 7.219 1.00 0.00 O ATOM 615 CB TRP A 39 -5.656 -1.055 7.957 1.00 0.00 C ATOM 616 CG TRP A 39 -7.133 -1.190 8.135 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.739 -1.744 9.209 1.00 0.00 C ATOM 618 CD2 TRP A 39 -8.198 -0.777 7.231 1.00 0.00 C ATOM 619 NE1 TRP A 39 -9.109 -1.690 9.025 1.00 0.00 N ATOM 620 CE2 TRP A 39 -9.442 -1.105 7.821 1.00 0.00 C ATOM 621 CE3 TRP A 39 -8.205 -0.156 5.969 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -10.650 -0.823 7.183 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -9.420 0.129 5.324 1.00 0.00 C ATOM 624 CH2 TRP A 39 -10.639 -0.206 5.929 1.00 0.00 C ATOM 0 H TRP A 39 -6.652 1.692 8.515 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.537 -0.052 9.502 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.410 -1.016 6.896 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.149 -1.927 8.370 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.236 -2.160 10.069 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.790 -2.040 9.698 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.271 0.103 5.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -11.587 -1.080 7.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.415 0.609 4.357 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -11.570 0.013 5.426 1.00 0.00 H new ATOM 635 N THR A 40 -3.162 0.550 7.331 1.00 0.00 N ATOM 636 CA THR A 40 -2.294 1.246 6.386 1.00 0.00 C ATOM 637 C THR A 40 -2.092 0.405 5.130 1.00 0.00 C ATOM 638 O THR A 40 -1.892 -0.807 5.209 1.00 0.00 O ATOM 639 CB THR A 40 -0.935 1.544 7.025 1.00 0.00 C ATOM 640 OG1 THR A 40 -1.133 2.072 8.329 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.176 2.562 6.169 1.00 0.00 C ATOM 0 H THR A 40 -2.780 -0.323 7.695 1.00 0.00 H new ATOM 0 HA THR A 40 -2.774 2.186 6.114 1.00 0.00 H new ATOM 0 HB THR A 40 -0.354 0.624 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.118 1.342 8.983 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.791 2.773 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.024 2.155 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.754 3.484 6.102 1.00 0.00 H new ATOM 649 N LEU A 41 -2.149 1.060 3.975 1.00 0.00 N ATOM 650 CA LEU A 41 -1.975 0.371 2.702 1.00 0.00 C ATOM 651 C LEU A 41 -0.947 1.097 1.840 1.00 0.00 C ATOM 652 O LEU A 41 -0.849 2.327 1.873 1.00 0.00 O ATOM 653 CB LEU A 41 -3.326 0.292 1.969 1.00 0.00 C ATOM 654 CG LEU A 41 -3.546 1.553 1.115 1.00 0.00 C ATOM 655 CD1 LEU A 41 -2.860 1.420 -0.253 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.042 1.755 0.884 1.00 0.00 C ATOM 0 H LEU A 41 -2.314 2.063 3.894 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.611 -0.639 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.352 -0.594 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.134 0.189 2.693 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.118 2.402 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.032 2.325 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.789 1.278 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.272 0.562 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.199 2.648 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.450 0.888 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.546 1.873 1.843 1.00 0.00 H new ATOM 668 N PHE A 42 -0.197 0.329 1.056 1.00 0.00 N ATOM 669 CA PHE A 42 0.810 0.898 0.175 1.00 0.00 C ATOM 670 C PHE A 42 0.307 0.875 -1.257 1.00 0.00 C ATOM 671 O PHE A 42 0.188 -0.187 -1.857 1.00 0.00 O ATOM 672 CB PHE A 42 2.110 0.102 0.292 1.00 0.00 C ATOM 673 CG PHE A 42 2.897 0.634 1.463 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.329 0.633 2.743 1.00 0.00 C ATOM 675 CD2 PHE A 42 4.184 1.145 1.272 1.00 0.00 C ATOM 676 CE1 PHE A 42 3.046 1.143 3.829 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.901 1.655 2.361 1.00 0.00 C ATOM 678 CZ PHE A 42 4.332 1.655 3.638 1.00 0.00 C ATOM 0 H PHE A 42 -0.269 -0.688 1.015 1.00 0.00 H new ATOM 0 HA PHE A 42 1.003 1.931 0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.894 -0.957 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.691 0.190 -0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.335 0.237 2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.625 1.146 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.606 1.141 4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.896 2.049 2.214 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.886 2.051 4.476 1.00 0.00 H new ATOM 688 N VAL A 43 0.000 2.046 -1.803 1.00 0.00 N ATOM 689 CA VAL A 43 -0.506 2.122 -3.163 1.00 0.00 C ATOM 690 C VAL A 43 0.575 2.634 -4.130 1.00 0.00 C ATOM 691 O VAL A 43 0.787 3.846 -4.231 1.00 0.00 O ATOM 692 CB VAL A 43 -1.752 3.022 -3.231 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.533 4.359 -2.538 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.103 3.278 -4.688 1.00 0.00 C ATOM 0 H VAL A 43 0.092 2.945 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.787 1.114 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.562 2.504 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.439 4.960 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.294 4.190 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.708 4.886 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.985 3.915 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.267 3.773 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.309 2.330 -5.185 1.00 0.00 H new ATOM 704 N PRO A 44 1.272 1.760 -4.841 1.00 0.00 N ATOM 705 CA PRO A 44 2.329 2.198 -5.807 1.00 0.00 C ATOM 706 C PRO A 44 1.743 2.907 -7.029 1.00 0.00 C ATOM 707 O PRO A 44 0.675 2.540 -7.511 1.00 0.00 O ATOM 708 CB PRO A 44 3.014 0.894 -6.221 1.00 0.00 C ATOM 709 CG PRO A 44 2.038 -0.191 -5.942 1.00 0.00 C ATOM 710 CD PRO A 44 1.160 0.280 -4.799 1.00 0.00 C ATOM 0 HA PRO A 44 3.009 2.921 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.284 0.914 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.936 0.743 -5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.437 -0.405 -6.826 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.554 -1.114 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.128 -0.045 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.502 -0.119 -3.844 1.00 0.00 H new ATOM 718 N THR A 45 2.441 3.924 -7.532 1.00 0.00 N ATOM 719 CA THR A 45 1.945 4.656 -8.696 1.00 0.00 C ATOM 720 C THR A 45 2.297 3.939 -9.995 1.00 0.00 C ATOM 721 O THR A 45 2.964 2.908 -9.994 1.00 0.00 O ATOM 722 CB THR A 45 2.525 6.066 -8.712 1.00 0.00 C ATOM 723 OG1 THR A 45 3.804 6.064 -8.090 1.00 0.00 O ATOM 724 CG2 THR A 45 1.584 6.995 -7.949 1.00 0.00 C ATOM 0 H THR A 45 3.332 4.255 -7.162 1.00 0.00 H new ATOM 0 HA THR A 45 0.859 4.709 -8.621 1.00 0.00 H new ATOM 0 HB THR A 45 2.631 6.411 -9.741 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.312 6.848 -8.385 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.989 8.007 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.605 6.994 -8.427 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.486 6.648 -6.920 1.00 0.00 H new ATOM 732 N ASN A 46 1.834 4.488 -11.109 1.00 0.00 N ATOM 733 CA ASN A 46 2.106 3.881 -12.403 1.00 0.00 C ATOM 734 C ASN A 46 3.602 3.650 -12.579 1.00 0.00 C ATOM 735 O ASN A 46 4.026 2.600 -13.058 1.00 0.00 O ATOM 736 CB ASN A 46 1.601 4.781 -13.531 1.00 0.00 C ATOM 737 CG ASN A 46 1.983 4.182 -14.881 1.00 0.00 C ATOM 738 OD1 ASN A 46 3.199 4.335 -15.334 1.00 0.00 O flip ATOM 739 ND2 ASN A 46 1.153 3.556 -15.542 1.00 0.00 N flip ATOM 0 H ASN A 46 1.276 5.341 -11.144 1.00 0.00 H new ATOM 0 HA ASN A 46 1.586 2.924 -12.443 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.519 4.890 -13.465 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.029 5.779 -13.432 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.204 3.437 -15.188 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.415 3.157 -16.443 1.00 0.00 H new ATOM 746 N ASP A 47 4.393 4.645 -12.194 1.00 0.00 N ATOM 747 CA ASP A 47 5.842 4.548 -12.323 1.00 0.00 C ATOM 748 C ASP A 47 6.373 3.306 -11.609 1.00 0.00 C ATOM 749 O ASP A 47 7.432 2.784 -11.954 1.00 0.00 O ATOM 750 CB ASP A 47 6.502 5.800 -11.744 1.00 0.00 C ATOM 751 CG ASP A 47 6.841 6.772 -12.869 1.00 0.00 C ATOM 752 OD1 ASP A 47 6.284 7.856 -12.877 1.00 0.00 O ATOM 753 OD2 ASP A 47 7.654 6.416 -13.707 1.00 0.00 O ATOM 0 H ASP A 47 4.059 5.521 -11.793 1.00 0.00 H new ATOM 0 HA ASP A 47 6.085 4.466 -13.382 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.833 6.277 -11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.407 5.527 -11.201 1.00 0.00 H new ATOM 758 N ALA A 48 5.632 2.844 -10.610 1.00 0.00 N ATOM 759 CA ALA A 48 6.021 1.672 -9.846 1.00 0.00 C ATOM 760 C ALA A 48 5.420 0.407 -10.445 1.00 0.00 C ATOM 761 O ALA A 48 5.961 -0.687 -10.291 1.00 0.00 O ATOM 762 CB ALA A 48 5.519 1.831 -8.433 1.00 0.00 C ATOM 0 H ALA A 48 4.754 3.268 -10.311 1.00 0.00 H new ATOM 0 HA ALA A 48 7.107 1.582 -9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.803 0.958 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.957 2.725 -7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.433 1.925 -8.441 1.00 0.00 H new ATOM 768 N PHE A 49 4.280 0.568 -11.107 1.00 0.00 N ATOM 769 CA PHE A 49 3.582 -0.569 -11.709 1.00 0.00 C ATOM 770 C PHE A 49 3.977 -0.732 -13.176 1.00 0.00 C ATOM 771 O PHE A 49 3.445 -1.590 -13.884 1.00 0.00 O ATOM 772 CB PHE A 49 2.061 -0.371 -11.574 1.00 0.00 C ATOM 773 CG PHE A 49 1.366 -0.768 -12.853 1.00 0.00 C ATOM 774 CD1 PHE A 49 1.332 0.123 -13.931 1.00 0.00 C ATOM 775 CD2 PHE A 49 0.784 -2.036 -12.975 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.709 -0.249 -15.128 1.00 0.00 C ATOM 777 CE2 PHE A 49 0.158 -2.408 -14.171 1.00 0.00 C ATOM 778 CZ PHE A 49 0.124 -1.516 -15.249 1.00 0.00 C ATOM 0 H PHE A 49 3.819 1.468 -11.242 1.00 0.00 H new ATOM 0 HA PHE A 49 3.870 -1.479 -11.183 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.682 -0.969 -10.745 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.842 0.671 -11.342 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.787 1.098 -13.840 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.818 -2.727 -12.146 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.679 0.441 -15.958 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.298 -3.383 -14.262 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.353 -1.804 -16.174 1.00 0.00 H new ATOM 788 N LYS A 50 4.927 0.084 -13.621 1.00 0.00 N ATOM 789 CA LYS A 50 5.386 0.022 -15.005 1.00 0.00 C ATOM 790 C LYS A 50 5.394 -1.414 -15.487 1.00 0.00 C ATOM 791 O LYS A 50 6.230 -2.206 -15.058 1.00 0.00 O ATOM 792 CB LYS A 50 6.803 0.569 -15.107 1.00 0.00 C ATOM 793 CG LYS A 50 6.772 2.094 -15.037 1.00 0.00 C ATOM 794 CD LYS A 50 8.154 2.637 -14.638 1.00 0.00 C ATOM 795 CE LYS A 50 9.086 2.607 -15.849 1.00 0.00 C ATOM 796 NZ LYS A 50 8.595 3.565 -16.878 1.00 0.00 N ATOM 0 H LYS A 50 5.391 0.790 -13.050 1.00 0.00 H new ATOM 0 HA LYS A 50 4.709 0.617 -15.618 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.416 0.171 -14.299 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.261 0.247 -16.042 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.478 2.503 -16.003 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.024 2.417 -14.313 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.061 3.656 -14.263 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.572 2.037 -13.830 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.100 2.869 -15.547 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.127 1.600 -16.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.397 3.906 -17.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.910 3.087 -17.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.134 4.371 -16.410 1.00 0.00 H new ATOM 810 N GLY A 51 4.432 -1.721 -16.366 1.00 0.00 N ATOM 811 CA GLY A 51 4.266 -3.060 -16.931 1.00 0.00 C ATOM 812 C GLY A 51 5.426 -3.981 -16.584 1.00 0.00 C ATOM 813 O GLY A 51 6.354 -4.148 -17.378 1.00 0.00 O ATOM 0 H GLY A 51 3.747 -1.045 -16.704 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.337 -3.495 -16.562 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.175 -2.986 -18.015 1.00 0.00 H new ATOM 817 N MET A 52 5.368 -4.563 -15.384 1.00 0.00 N ATOM 818 CA MET A 52 6.406 -5.465 -14.915 1.00 0.00 C ATOM 819 C MET A 52 6.800 -6.438 -16.014 1.00 0.00 C ATOM 820 O MET A 52 6.245 -6.422 -17.112 1.00 0.00 O ATOM 821 CB MET A 52 5.928 -6.252 -13.683 1.00 0.00 C ATOM 822 CG MET A 52 4.436 -6.012 -13.418 1.00 0.00 C ATOM 823 SD MET A 52 4.199 -4.384 -12.651 1.00 0.00 S ATOM 824 CE MET A 52 4.928 -4.746 -11.029 1.00 0.00 C ATOM 0 H MET A 52 4.606 -4.420 -14.721 1.00 0.00 H new ATOM 0 HA MET A 52 7.272 -4.864 -14.638 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.107 -7.316 -13.836 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.508 -5.954 -12.810 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.878 -6.068 -14.353 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.044 -6.792 -12.765 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.397 -4.188 -10.258 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.848 -5.814 -10.824 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.978 -4.455 -11.029 1.00 0.00 H new ATOM 834 N THR A 53 7.775 -7.276 -15.717 1.00 0.00 N ATOM 835 CA THR A 53 8.251 -8.235 -16.696 1.00 0.00 C ATOM 836 C THR A 53 7.334 -9.445 -16.761 1.00 0.00 C ATOM 837 O THR A 53 6.561 -9.703 -15.838 1.00 0.00 O ATOM 838 CB THR A 53 9.669 -8.666 -16.350 1.00 0.00 C ATOM 839 OG1 THR A 53 9.639 -9.551 -15.237 1.00 0.00 O ATOM 840 CG2 THR A 53 10.493 -7.427 -16.006 1.00 0.00 C ATOM 0 H THR A 53 8.249 -7.313 -14.815 1.00 0.00 H new ATOM 0 HA THR A 53 8.251 -7.758 -17.676 1.00 0.00 H new ATOM 0 HB THR A 53 10.119 -9.180 -17.199 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.933 -10.442 -15.520 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.511 -7.725 -15.756 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.512 -6.753 -16.863 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.045 -6.917 -15.153 1.00 0.00 H new ATOM 848 N SER A 54 7.421 -10.182 -17.859 1.00 0.00 N ATOM 849 CA SER A 54 6.590 -11.362 -18.036 1.00 0.00 C ATOM 850 C SER A 54 6.785 -12.319 -16.869 1.00 0.00 C ATOM 851 O SER A 54 5.855 -13.012 -16.459 1.00 0.00 O ATOM 852 CB SER A 54 6.945 -12.064 -19.345 1.00 0.00 C ATOM 853 OG SER A 54 5.802 -12.082 -20.189 1.00 0.00 O ATOM 0 H SER A 54 8.054 -9.985 -18.635 1.00 0.00 H new ATOM 0 HA SER A 54 5.546 -11.052 -18.071 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.768 -11.546 -19.838 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.282 -13.082 -19.146 1.00 0.00 H new ATOM 0 HG SER A 54 6.025 -12.530 -21.032 1.00 0.00 H new ATOM 859 N GLU A 55 8.000 -12.348 -16.334 1.00 0.00 N ATOM 860 CA GLU A 55 8.304 -13.224 -15.211 1.00 0.00 C ATOM 861 C GLU A 55 7.831 -12.604 -13.901 1.00 0.00 C ATOM 862 O GLU A 55 7.382 -13.310 -12.998 1.00 0.00 O ATOM 863 CB GLU A 55 9.811 -13.478 -15.142 1.00 0.00 C ATOM 864 CG GLU A 55 10.074 -14.777 -14.378 1.00 0.00 C ATOM 865 CD GLU A 55 11.480 -14.761 -13.791 1.00 0.00 C ATOM 866 OE1 GLU A 55 11.759 -13.879 -12.995 1.00 0.00 O ATOM 867 OE2 GLU A 55 12.259 -15.631 -14.146 1.00 0.00 O ATOM 0 H GLU A 55 8.784 -11.780 -16.657 1.00 0.00 H new ATOM 0 HA GLU A 55 7.781 -14.169 -15.360 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.226 -13.545 -16.148 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.309 -12.645 -14.646 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.340 -14.895 -13.581 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.960 -15.631 -15.046 1.00 0.00 H new ATOM 874 N GLU A 56 7.938 -11.283 -13.801 1.00 0.00 N ATOM 875 CA GLU A 56 7.524 -10.581 -12.592 1.00 0.00 C ATOM 876 C GLU A 56 6.022 -10.730 -12.359 1.00 0.00 C ATOM 877 O GLU A 56 5.574 -10.842 -11.220 1.00 0.00 O ATOM 878 CB GLU A 56 7.884 -9.096 -12.700 1.00 0.00 C ATOM 879 CG GLU A 56 9.294 -8.869 -12.149 1.00 0.00 C ATOM 880 CD GLU A 56 9.676 -7.399 -12.288 1.00 0.00 C ATOM 881 OE1 GLU A 56 8.992 -6.696 -13.012 1.00 0.00 O ATOM 882 OE2 GLU A 56 10.645 -6.998 -11.665 1.00 0.00 O ATOM 0 H GLU A 56 8.305 -10.681 -14.537 1.00 0.00 H new ATOM 0 HA GLU A 56 8.050 -11.023 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.833 -8.774 -13.740 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.164 -8.495 -12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.337 -9.167 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.009 -9.492 -12.687 1.00 0.00 H new ATOM 889 N LYS A 57 5.250 -10.726 -13.442 1.00 0.00 N ATOM 890 CA LYS A 57 3.800 -10.860 -13.332 1.00 0.00 C ATOM 891 C LYS A 57 3.401 -12.332 -13.211 1.00 0.00 C ATOM 892 O LYS A 57 2.416 -12.671 -12.543 1.00 0.00 O ATOM 893 CB LYS A 57 3.130 -10.239 -14.559 1.00 0.00 C ATOM 894 CG LYS A 57 3.544 -11.009 -15.813 1.00 0.00 C ATOM 895 CD LYS A 57 3.084 -10.244 -17.056 1.00 0.00 C ATOM 896 CE LYS A 57 2.758 -11.231 -18.177 1.00 0.00 C ATOM 897 NZ LYS A 57 1.343 -11.679 -18.044 1.00 0.00 N ATOM 0 H LYS A 57 5.599 -10.633 -14.396 1.00 0.00 H new ATOM 0 HA LYS A 57 3.469 -10.338 -12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.046 -10.264 -14.446 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.417 -9.192 -14.652 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.626 -11.139 -15.832 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.104 -12.006 -15.803 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.206 -9.643 -16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.864 -9.555 -17.380 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.912 -10.760 -19.148 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.429 -12.089 -18.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.118 -12.351 -18.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.211 -12.143 -17.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.711 -10.856 -18.111 1.00 0.00 H new ATOM 911 N GLU A 58 4.168 -13.202 -13.859 1.00 0.00 N ATOM 912 CA GLU A 58 3.892 -14.624 -13.825 1.00 0.00 C ATOM 913 C GLU A 58 4.160 -15.195 -12.434 1.00 0.00 C ATOM 914 O GLU A 58 3.366 -15.973 -11.906 1.00 0.00 O ATOM 915 CB GLU A 58 4.771 -15.336 -14.849 1.00 0.00 C ATOM 916 CG GLU A 58 4.511 -16.833 -14.776 1.00 0.00 C ATOM 917 CD GLU A 58 4.635 -17.456 -16.164 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.526 -18.268 -16.350 1.00 0.00 O ATOM 919 OE2 GLU A 58 3.839 -17.110 -17.020 1.00 0.00 O ATOM 0 H GLU A 58 4.984 -12.942 -14.413 1.00 0.00 H new ATOM 0 HA GLU A 58 2.841 -14.781 -14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.555 -14.966 -15.851 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.822 -15.127 -14.651 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.222 -17.300 -14.094 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.515 -17.018 -14.374 1.00 0.00 H new ATOM 926 N ILE A 59 5.284 -14.806 -11.843 1.00 0.00 N ATOM 927 CA ILE A 59 5.639 -15.290 -10.513 1.00 0.00 C ATOM 928 C ILE A 59 4.476 -15.093 -9.549 1.00 0.00 C ATOM 929 O ILE A 59 4.363 -15.794 -8.543 1.00 0.00 O ATOM 930 CB ILE A 59 6.859 -14.531 -9.994 1.00 0.00 C ATOM 931 CG1 ILE A 59 8.116 -15.039 -10.705 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.999 -14.754 -8.486 1.00 0.00 C ATOM 933 CD1 ILE A 59 9.215 -13.978 -10.629 1.00 0.00 C ATOM 0 H ILE A 59 5.959 -14.164 -12.258 1.00 0.00 H new ATOM 0 HA ILE A 59 5.870 -16.353 -10.581 1.00 0.00 H new ATOM 0 HB ILE A 59 6.734 -13.466 -10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.458 -15.965 -10.242 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.889 -15.268 -11.746 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.870 -14.212 -8.117 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.104 -14.391 -7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.123 -15.818 -8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.108 -14.343 -11.136 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.872 -13.063 -11.112 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.449 -13.771 -9.585 1.00 0.00 H new ATOM 945 N LEU A 60 3.619 -14.131 -9.863 1.00 0.00 N ATOM 946 CA LEU A 60 2.470 -13.838 -9.022 1.00 0.00 C ATOM 947 C LEU A 60 1.325 -14.798 -9.320 1.00 0.00 C ATOM 948 O LEU A 60 0.894 -15.553 -8.448 1.00 0.00 O ATOM 949 CB LEU A 60 2.001 -12.402 -9.249 1.00 0.00 C ATOM 950 CG LEU A 60 3.182 -11.524 -9.670 1.00 0.00 C ATOM 951 CD1 LEU A 60 2.726 -10.070 -9.708 1.00 0.00 C ATOM 952 CD2 LEU A 60 4.330 -11.664 -8.669 1.00 0.00 C ATOM 0 H LEU A 60 3.699 -13.542 -10.692 1.00 0.00 H new ATOM 0 HA LEU A 60 2.772 -13.960 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.229 -12.380 -10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.553 -12.009 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 60 3.530 -11.838 -10.654 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.560 -9.435 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.913 -9.962 -10.425 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.379 -9.772 -8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.163 -11.034 -8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.991 -11.354 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.655 -12.704 -8.631 1.00 0.00 H new ATOM 964 N ILE A 61 0.829 -14.761 -10.553 1.00 0.00 N ATOM 965 CA ILE A 61 -0.275 -15.635 -10.943 1.00 0.00 C ATOM 966 C ILE A 61 0.146 -17.103 -10.864 1.00 0.00 C ATOM 967 O ILE A 61 -0.681 -18.004 -11.000 1.00 0.00 O ATOM 968 CB ILE A 61 -0.735 -15.299 -12.367 1.00 0.00 C ATOM 969 CG1 ILE A 61 0.334 -15.730 -13.374 1.00 0.00 C ATOM 970 CG2 ILE A 61 -0.960 -13.791 -12.490 1.00 0.00 C ATOM 971 CD1 ILE A 61 -0.106 -17.012 -14.081 1.00 0.00 C ATOM 0 H ILE A 61 1.168 -14.144 -11.291 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.103 -15.473 -10.252 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.665 -15.829 -12.575 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.498 -14.939 -14.105 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.283 -15.893 -12.863 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.287 -13.553 -13.502 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.725 -13.478 -11.779 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.029 -13.266 -12.277 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.659 -17.314 -14.797 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.247 -17.803 -13.345 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.044 -16.834 -14.606 1.00 0.00 H new ATOM 983 N ARG A 62 1.439 -17.330 -10.648 1.00 0.00 N ATOM 984 CA ARG A 62 1.966 -18.689 -10.557 1.00 0.00 C ATOM 985 C ARG A 62 1.411 -19.399 -9.328 1.00 0.00 C ATOM 986 O ARG A 62 1.286 -20.624 -9.309 1.00 0.00 O ATOM 987 CB ARG A 62 3.494 -18.653 -10.480 1.00 0.00 C ATOM 988 CG ARG A 62 4.010 -19.970 -9.893 1.00 0.00 C ATOM 989 CD ARG A 62 5.489 -20.145 -10.243 1.00 0.00 C ATOM 990 NE ARG A 62 6.208 -20.719 -9.113 1.00 0.00 N ATOM 991 CZ ARG A 62 6.510 -19.986 -8.048 1.00 0.00 C ATOM 992 NH1 ARG A 62 6.166 -18.728 -8.002 1.00 0.00 N ATOM 993 NH2 ARG A 62 7.152 -20.523 -7.046 1.00 0.00 N ATOM 0 H ARG A 62 2.138 -16.596 -10.533 1.00 0.00 H new ATOM 0 HA ARG A 62 1.659 -19.237 -11.448 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.915 -18.496 -11.473 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.817 -17.816 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.879 -19.973 -8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.432 -20.806 -10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.590 -20.792 -11.114 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.924 -19.182 -10.509 1.00 0.00 H new ATOM 0 HE ARG A 62 6.484 -21.701 -9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.665 -18.307 -8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.398 -18.165 -7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.422 -21.506 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.384 -19.959 -6.228 1.00 0.00 H new ATOM 1007 N ASP A 63 1.079 -18.623 -8.305 1.00 0.00 N ATOM 1008 CA ASP A 63 0.537 -19.185 -7.076 1.00 0.00 C ATOM 1009 C ASP A 63 -0.544 -18.272 -6.519 1.00 0.00 C ATOM 1010 O ASP A 63 -0.351 -17.061 -6.421 1.00 0.00 O ATOM 1011 CB ASP A 63 1.649 -19.358 -6.041 1.00 0.00 C ATOM 1012 CG ASP A 63 2.083 -20.818 -5.985 1.00 0.00 C ATOM 1013 OD1 ASP A 63 3.095 -21.138 -6.584 1.00 0.00 O ATOM 1014 OD2 ASP A 63 1.394 -21.596 -5.345 1.00 0.00 O ATOM 0 H ASP A 63 1.175 -17.608 -8.302 1.00 0.00 H new ATOM 0 HA ASP A 63 0.103 -20.160 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.499 -18.726 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.298 -19.036 -5.060 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.684 -18.855 -6.172 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.787 -18.072 -5.643 1.00 0.00 C ATOM 1021 C LYS A 64 -2.368 -17.384 -4.353 1.00 0.00 C ATOM 1022 O LYS A 64 -2.681 -16.223 -4.128 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.002 -18.980 -5.385 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.032 -18.303 -4.452 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.470 -16.934 -5.009 1.00 0.00 C ATOM 1026 CE LYS A 64 -6.991 -16.805 -4.915 1.00 0.00 C ATOM 1027 NZ LYS A 64 -7.416 -15.502 -5.503 1.00 0.00 N ATOM 0 H LYS A 64 -1.866 -19.856 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.062 -17.312 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.478 -19.229 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.668 -19.917 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.903 -18.948 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.599 -18.174 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.991 -16.132 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.150 -16.833 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.470 -17.629 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.308 -16.867 -3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.450 -15.413 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.969 -14.723 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.126 -15.460 -6.501 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.662 -18.110 -3.504 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.219 -17.551 -2.239 1.00 0.00 C ATOM 1043 C ASN A 65 -0.168 -16.476 -2.471 1.00 0.00 C ATOM 1044 O ASN A 65 -0.034 -15.539 -1.680 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.642 -18.663 -1.361 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.767 -19.395 -0.638 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -1.786 -20.626 -0.604 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -2.711 -18.708 -0.056 1.00 0.00 N ATOM 0 H ASN A 65 -1.385 -19.078 -3.665 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.073 -17.098 -1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.076 -19.364 -1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.053 -18.241 -0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.468 -19.190 0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.692 -17.689 -0.086 1.00 0.00 H new ATOM 1055 N ALA A 66 0.578 -16.613 -3.563 1.00 0.00 N ATOM 1056 CA ALA A 66 1.622 -15.649 -3.878 1.00 0.00 C ATOM 1057 C ALA A 66 1.032 -14.309 -4.304 1.00 0.00 C ATOM 1058 O ALA A 66 1.240 -13.278 -3.647 1.00 0.00 O ATOM 1059 CB ALA A 66 2.498 -16.189 -5.012 1.00 0.00 C ATOM 0 H ALA A 66 0.480 -17.373 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 66 2.218 -15.496 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.279 -15.465 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.956 -17.129 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.884 -16.359 -5.897 1.00 0.00 H new ATOM 1065 N LEU A 67 0.278 -14.312 -5.395 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.312 -13.070 -5.851 1.00 0.00 C ATOM 1067 C LEU A 67 -1.145 -12.481 -4.733 1.00 0.00 C ATOM 1068 O LEU A 67 -1.239 -11.266 -4.601 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.138 -13.271 -7.147 1.00 0.00 C ATOM 1070 CG LEU A 67 -2.658 -13.237 -6.877 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.402 -13.209 -8.200 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.068 -14.481 -6.089 1.00 0.00 C ATOM 0 H LEU A 67 0.067 -15.133 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 67 0.482 -12.368 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.880 -12.493 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.872 -14.225 -7.602 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.904 -12.346 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.476 -13.185 -8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.112 -12.321 -8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.154 -14.101 -8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.141 -14.455 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.823 -15.374 -6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.533 -14.503 -5.140 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.782 -13.343 -3.944 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.630 -12.858 -2.872 1.00 0.00 C ATOM 1086 C GLN A 68 -1.824 -12.006 -1.908 1.00 0.00 C ATOM 1087 O GLN A 68 -2.158 -10.844 -1.657 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.293 -14.009 -2.108 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.761 -14.156 -2.556 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.624 -13.132 -1.842 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.568 -11.885 -2.223 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.360 -13.470 -0.917 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.726 -14.358 -4.027 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.416 -12.255 -3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.753 -14.938 -2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.248 -13.820 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.837 -14.019 -3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.118 -15.162 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.397 -14.447 -0.626 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.933 -12.774 -0.441 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.756 -12.585 -1.368 1.00 0.00 N ATOM 1102 CA ASN A 69 0.077 -11.852 -0.436 1.00 0.00 C ATOM 1103 C ASN A 69 0.428 -10.491 -1.019 1.00 0.00 C ATOM 1104 O ASN A 69 0.449 -9.485 -0.312 1.00 0.00 O ATOM 1105 CB ASN A 69 1.350 -12.640 -0.112 1.00 0.00 C ATOM 1106 CG ASN A 69 2.424 -12.390 -1.164 1.00 0.00 C ATOM 1107 OD1 ASN A 69 2.882 -11.262 -1.341 1.00 0.00 O ATOM 1108 ND2 ASN A 69 2.867 -13.391 -1.870 1.00 0.00 N ATOM 0 H ASN A 69 -0.455 -13.541 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.477 -11.709 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.722 -12.350 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.122 -13.705 -0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.594 -13.240 -2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.487 -14.326 -1.723 1.00 0.00 H new ATOM 1115 N ILE A 70 0.697 -10.460 -2.317 1.00 0.00 N ATOM 1116 CA ILE A 70 1.039 -9.200 -2.971 1.00 0.00 C ATOM 1117 C ILE A 70 -0.201 -8.335 -3.182 1.00 0.00 C ATOM 1118 O ILE A 70 -0.149 -7.117 -3.016 1.00 0.00 O ATOM 1119 CB ILE A 70 1.697 -9.477 -4.323 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.193 -9.800 -4.145 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.547 -8.248 -5.223 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.491 -11.186 -4.715 1.00 0.00 C ATOM 0 H ILE A 70 0.686 -11.275 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 70 1.733 -8.663 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 70 1.206 -10.336 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.800 -9.050 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.459 -9.765 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.016 -8.444 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.489 -8.032 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.030 -7.391 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.550 -11.412 -4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.895 -11.932 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.241 -11.205 -5.776 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.308 -8.957 -3.555 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.540 -8.216 -3.787 1.00 0.00 C ATOM 1136 C ILE A 71 -2.805 -7.258 -2.633 1.00 0.00 C ATOM 1137 O ILE A 71 -3.122 -6.089 -2.851 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.715 -9.184 -3.931 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -3.771 -9.720 -5.365 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.021 -8.474 -3.588 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -4.584 -8.774 -6.248 1.00 0.00 C ATOM 0 H ILE A 71 -1.380 -9.964 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.432 -7.642 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.577 -10.018 -3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.761 -9.823 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.220 -10.713 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.853 -9.171 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.979 -8.111 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.166 -7.632 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.617 -9.164 -7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.598 -8.693 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.117 -7.789 -6.253 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.681 -7.757 -1.405 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.921 -6.916 -0.236 1.00 0.00 C ATOM 1155 C LEU A 72 -2.054 -5.671 -0.272 1.00 0.00 C ATOM 1156 O LEU A 72 -2.222 -4.761 0.544 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.632 -7.701 1.023 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.678 -8.804 1.155 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.975 -10.135 1.351 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.575 -8.497 2.354 1.00 0.00 C ATOM 0 H LEU A 72 -2.421 -8.721 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.966 -6.606 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.631 -8.131 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.661 -7.045 1.893 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.290 -8.855 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.717 -10.928 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.335 -10.338 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.368 -10.096 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.326 -9.280 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.970 -8.454 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.070 -7.538 2.202 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.131 -5.634 -1.221 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.254 -4.489 -1.368 1.00 0.00 C ATOM 1174 C TYR A 73 0.458 -4.169 -0.062 1.00 0.00 C ATOM 1175 O TYR A 73 0.730 -3.006 0.231 1.00 0.00 O ATOM 1176 CB TYR A 73 -1.076 -3.277 -1.815 1.00 0.00 C ATOM 1177 CG TYR A 73 -1.473 -3.442 -3.265 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -0.491 -3.441 -4.262 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -2.822 -3.605 -3.612 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -0.855 -3.599 -5.604 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -3.186 -3.762 -4.956 1.00 0.00 C ATOM 1182 CZ TYR A 73 -2.200 -3.762 -5.950 1.00 0.00 C ATOM 1183 OH TYR A 73 -2.558 -3.920 -7.274 1.00 0.00 O ATOM 0 H TYR A 73 -0.972 -6.381 -1.897 1.00 0.00 H new ATOM 0 HA TYR A 73 0.502 -4.727 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.965 -3.178 -1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.495 -2.364 -1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.548 -3.318 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.580 -3.610 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.097 -3.595 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.225 -3.883 -5.225 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.766 -3.045 -7.663 1.00 0.00 H new ATOM 1193 N HIS A 74 0.765 -5.202 0.720 1.00 0.00 N ATOM 1194 CA HIS A 74 1.461 -4.998 1.985 1.00 0.00 C ATOM 1195 C HIS A 74 0.576 -4.261 2.985 1.00 0.00 C ATOM 1196 O HIS A 74 1.029 -3.345 3.668 1.00 0.00 O ATOM 1197 CB HIS A 74 2.747 -4.199 1.749 1.00 0.00 C ATOM 1198 CG HIS A 74 3.373 -4.628 0.445 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.023 -4.061 -0.772 1.00 0.00 N ATOM 1200 CD2 HIS A 74 4.334 -5.566 0.158 1.00 0.00 C ATOM 1201 CE1 HIS A 74 3.766 -4.656 -1.728 1.00 0.00 C ATOM 1202 NE2 HIS A 74 4.580 -5.582 -1.213 1.00 0.00 N ATOM 0 H HIS A 74 0.546 -6.174 0.503 1.00 0.00 H new ATOM 0 HA HIS A 74 1.708 -5.976 2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.526 -3.132 1.725 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.445 -4.361 2.571 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.330 -3.327 -0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.825 -6.196 0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.710 -4.414 -2.779 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.688 -4.674 3.076 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.616 -4.048 4.011 1.00 0.00 C ATOM 1213 C LEU A 75 -1.130 -4.281 5.430 1.00 0.00 C ATOM 1214 O LEU A 75 -0.707 -5.383 5.768 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.028 -4.642 3.829 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.931 -4.368 5.050 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.138 -2.867 5.232 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.291 -5.023 4.823 1.00 0.00 C ATOM 0 H LEU A 75 -1.087 -5.430 2.520 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.662 -2.976 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.487 -4.218 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.951 -5.717 3.669 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.452 -4.777 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.777 -2.690 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.174 -2.383 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.611 -2.454 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.934 -4.833 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.750 -4.606 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.161 -6.098 4.698 1.00 0.00 H new ATOM 1230 N THR A 76 -1.206 -3.247 6.260 1.00 0.00 N ATOM 1231 CA THR A 76 -0.777 -3.369 7.647 1.00 0.00 C ATOM 1232 C THR A 76 -1.868 -2.848 8.591 1.00 0.00 C ATOM 1233 O THR A 76 -2.521 -1.851 8.289 1.00 0.00 O ATOM 1234 CB THR A 76 0.523 -2.576 7.864 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.588 -3.484 8.101 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.396 -1.629 9.071 1.00 0.00 C ATOM 0 H THR A 76 -1.557 -2.325 6.000 1.00 0.00 H new ATOM 0 HA THR A 76 -0.597 -4.421 7.866 1.00 0.00 H new ATOM 0 HB THR A 76 0.718 -1.981 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.381 -2.989 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.329 -1.080 9.203 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.418 -0.925 8.897 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.187 -2.210 9.969 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.060 -3.462 9.739 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.065 -2.987 10.729 1.00 0.00 C ATOM 1246 C PRO A 77 -2.542 -1.799 11.538 1.00 0.00 C ATOM 1247 O PRO A 77 -1.345 -1.698 11.796 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.278 -4.199 11.632 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.982 -4.939 11.596 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.364 -4.672 10.224 1.00 0.00 C ATOM 0 HA PRO A 77 -3.981 -2.636 10.254 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.531 -3.895 12.648 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.098 -4.821 11.272 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.320 -4.599 12.392 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.141 -6.007 11.748 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.289 -4.510 10.297 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.514 -5.515 9.549 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.445 -0.911 11.937 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.056 0.256 12.720 1.00 0.00 C ATOM 1260 C GLY A 78 -2.473 1.348 11.831 1.00 0.00 C ATOM 1261 O GLY A 78 -1.375 1.207 11.292 1.00 0.00 O ATOM 0 H GLY A 78 -4.443 -0.975 11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.923 0.643 13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.322 -0.035 13.471 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.218 2.437 11.684 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.775 3.558 10.857 1.00 0.00 C ATOM 1267 C VAL A 79 -1.386 4.036 11.276 1.00 0.00 C ATOM 1268 O VAL A 79 -1.098 4.170 12.466 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.761 4.722 10.980 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.103 4.327 10.362 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.965 5.067 12.458 1.00 0.00 C ATOM 0 H VAL A 79 -4.129 2.570 12.124 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.732 3.214 9.824 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.361 5.589 10.455 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.803 5.158 10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.961 4.083 9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.503 3.458 10.885 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.667 5.896 12.545 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.363 4.198 12.983 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.010 5.352 12.900 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.533 4.297 10.290 1.00 0.00 N ATOM 1282 CA PHE A 80 0.819 4.767 10.567 1.00 0.00 C ATOM 1283 C PHE A 80 0.809 6.245 10.941 1.00 0.00 C ATOM 1284 O PHE A 80 -0.040 7.006 10.478 1.00 0.00 O ATOM 1285 CB PHE A 80 1.704 4.566 9.339 1.00 0.00 C ATOM 1286 CG PHE A 80 2.619 3.392 9.573 1.00 0.00 C ATOM 1287 CD1 PHE A 80 2.399 2.192 8.892 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.691 3.505 10.465 1.00 0.00 C ATOM 1289 CE1 PHE A 80 3.245 1.103 9.107 1.00 0.00 C ATOM 1290 CE2 PHE A 80 4.539 2.414 10.680 1.00 0.00 C ATOM 1291 CZ PHE A 80 4.317 1.211 9.999 1.00 0.00 C ATOM 0 H PHE A 80 -0.752 4.192 9.299 1.00 0.00 H new ATOM 0 HA PHE A 80 1.215 4.191 11.404 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.088 4.392 8.457 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.289 5.465 9.147 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.575 2.107 8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.864 4.434 10.987 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.072 0.175 8.583 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.365 2.499 11.371 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.972 0.368 10.162 1.00 0.00 H new ATOM 1301 N ILE A 81 1.764 6.643 11.778 1.00 0.00 N ATOM 1302 CA ILE A 81 1.869 8.034 12.209 1.00 0.00 C ATOM 1303 C ILE A 81 3.274 8.568 11.954 1.00 0.00 C ATOM 1304 O ILE A 81 4.242 8.108 12.561 1.00 0.00 O ATOM 1305 CB ILE A 81 1.542 8.144 13.698 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.262 7.358 13.993 1.00 0.00 C ATOM 1307 CG2 ILE A 81 1.336 9.613 14.067 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.123 7.544 15.461 1.00 0.00 C ATOM 0 H ILE A 81 2.474 6.024 12.170 1.00 0.00 H new ATOM 0 HA ILE A 81 1.157 8.628 11.636 1.00 0.00 H new ATOM 0 HB ILE A 81 2.365 7.736 14.285 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.546 7.702 13.348 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.414 6.300 13.777 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.103 9.692 15.129 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.246 10.173 13.853 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.512 10.023 13.483 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.034 6.985 15.672 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.683 7.178 16.098 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.292 8.602 15.662 1.00 0.00 H new ATOM 1320 N GLY A 82 3.377 9.539 11.054 1.00 0.00 N ATOM 1321 CA GLY A 82 4.670 10.128 10.726 1.00 0.00 C ATOM 1322 C GLY A 82 5.180 11.005 11.865 1.00 0.00 C ATOM 1323 O GLY A 82 6.168 11.722 11.710 1.00 0.00 O ATOM 0 H GLY A 82 2.588 9.933 10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.392 9.337 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.582 10.723 9.817 1.00 0.00 H new ATOM 1327 N LYS A 83 4.501 10.947 13.006 1.00 0.00 N ATOM 1328 CA LYS A 83 4.895 11.741 14.155 1.00 0.00 C ATOM 1329 C LYS A 83 4.779 10.918 15.435 1.00 0.00 C ATOM 1330 O LYS A 83 4.865 11.451 16.542 1.00 0.00 O ATOM 1331 CB LYS A 83 4.003 12.977 14.248 1.00 0.00 C ATOM 1332 CG LYS A 83 4.405 13.796 15.469 1.00 0.00 C ATOM 1333 CD LYS A 83 4.266 15.288 15.153 1.00 0.00 C ATOM 1334 CE LYS A 83 2.828 15.588 14.729 1.00 0.00 C ATOM 1335 NZ LYS A 83 2.379 16.858 15.367 1.00 0.00 N ATOM 0 H LYS A 83 3.680 10.360 13.156 1.00 0.00 H new ATOM 0 HA LYS A 83 5.933 12.050 14.035 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.100 13.579 13.344 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.957 12.680 14.323 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.775 13.534 16.319 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.433 13.567 15.751 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.530 15.882 16.028 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.957 15.568 14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.767 15.672 13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.172 14.769 15.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.401 17.064 15.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.423 16.761 16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.999 17.636 15.065 1.00 0.00 H new ATOM 1349 N GLY A 84 4.582 9.613 15.274 1.00 0.00 N ATOM 1350 CA GLY A 84 4.453 8.723 16.423 1.00 0.00 C ATOM 1351 C GLY A 84 5.736 7.926 16.641 1.00 0.00 C ATOM 1352 O GLY A 84 6.024 7.489 17.754 1.00 0.00 O ATOM 0 H GLY A 84 4.509 9.151 14.367 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.226 9.306 17.316 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.618 8.040 16.267 1.00 0.00 H new ATOM 1356 N PHE A 85 6.503 7.741 15.568 1.00 0.00 N ATOM 1357 CA PHE A 85 7.754 6.996 15.654 1.00 0.00 C ATOM 1358 C PHE A 85 8.933 7.954 15.792 1.00 0.00 C ATOM 1359 O PHE A 85 8.770 9.165 15.673 1.00 0.00 O ATOM 1360 CB PHE A 85 7.933 6.137 14.404 1.00 0.00 C ATOM 1361 CG PHE A 85 7.483 4.726 14.700 1.00 0.00 C ATOM 1362 CD1 PHE A 85 6.342 4.206 14.076 1.00 0.00 C ATOM 1363 CD2 PHE A 85 8.207 3.940 15.603 1.00 0.00 C ATOM 1364 CE1 PHE A 85 5.926 2.900 14.357 1.00 0.00 C ATOM 1365 CE2 PHE A 85 7.792 2.633 15.883 1.00 0.00 C ATOM 1366 CZ PHE A 85 6.651 2.113 15.260 1.00 0.00 C ATOM 0 H PHE A 85 6.281 8.094 14.637 1.00 0.00 H new ATOM 0 HA PHE A 85 7.718 6.352 16.533 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.353 6.550 13.579 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.978 6.140 14.093 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.784 4.813 13.378 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.086 4.342 16.084 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.045 2.499 13.877 1.00 0.00 H new ATOM 0 HE2 PHE A 85 8.352 2.026 16.579 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.330 1.105 15.476 1.00 0.00 H new ATOM 1376 N GLU A 86 10.119 7.409 16.054 1.00 0.00 N ATOM 1377 CA GLU A 86 11.303 8.247 16.214 1.00 0.00 C ATOM 1378 C GLU A 86 11.994 8.485 14.858 1.00 0.00 C ATOM 1379 O GLU A 86 12.332 7.526 14.156 1.00 0.00 O ATOM 1380 CB GLU A 86 12.287 7.584 17.180 1.00 0.00 C ATOM 1381 CG GLU A 86 13.323 8.614 17.637 1.00 0.00 C ATOM 1382 CD GLU A 86 12.668 9.645 18.551 1.00 0.00 C ATOM 1383 OE1 GLU A 86 13.031 10.806 18.462 1.00 0.00 O ATOM 1384 OE2 GLU A 86 11.808 9.257 19.325 1.00 0.00 O ATOM 0 H GLU A 86 10.284 6.408 16.158 1.00 0.00 H new ATOM 0 HA GLU A 86 10.987 9.209 16.618 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.753 7.182 18.041 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.783 6.745 16.692 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.136 8.115 18.163 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.761 9.110 16.771 1.00 0.00 H new ATOM 1391 N PRO A 87 12.217 9.725 14.462 1.00 0.00 N ATOM 1392 CA PRO A 87 12.866 10.027 13.154 1.00 0.00 C ATOM 1393 C PRO A 87 14.353 9.706 13.156 1.00 0.00 C ATOM 1394 O PRO A 87 15.099 10.168 14.020 1.00 0.00 O ATOM 1395 CB PRO A 87 12.625 11.523 12.965 1.00 0.00 C ATOM 1396 CG PRO A 87 12.502 12.071 14.344 1.00 0.00 C ATOM 1397 CD PRO A 87 11.896 10.966 15.198 1.00 0.00 C ATOM 0 HA PRO A 87 12.455 9.421 12.346 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.449 11.991 12.427 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.721 11.707 12.385 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.476 12.369 14.731 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.870 12.959 14.353 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.324 10.957 16.201 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.820 11.095 15.312 1.00 0.00 H new ATOM 1405 N GLY A 88 14.773 8.914 12.176 1.00 0.00 N ATOM 1406 CA GLY A 88 16.173 8.529 12.059 1.00 0.00 C ATOM 1407 C GLY A 88 16.359 7.046 12.351 1.00 0.00 C ATOM 1408 O GLY A 88 17.362 6.452 11.959 1.00 0.00 O ATOM 0 H GLY A 88 14.166 8.527 11.453 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.532 8.753 11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.775 9.118 12.752 1.00 0.00 H new ATOM 1412 N VAL A 89 15.389 6.445 13.043 1.00 0.00 N ATOM 1413 CA VAL A 89 15.479 5.030 13.373 1.00 0.00 C ATOM 1414 C VAL A 89 14.664 4.191 12.394 1.00 0.00 C ATOM 1415 O VAL A 89 13.681 4.665 11.825 1.00 0.00 O ATOM 1416 CB VAL A 89 14.972 4.795 14.795 1.00 0.00 C ATOM 1417 CG1 VAL A 89 15.253 6.033 15.651 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.464 4.518 14.771 1.00 0.00 C ATOM 0 H VAL A 89 14.546 6.911 13.379 1.00 0.00 H new ATOM 0 HA VAL A 89 16.524 4.728 13.303 1.00 0.00 H new ATOM 0 HB VAL A 89 15.487 3.934 15.221 1.00 0.00 H new ATOM 0 HG11 VAL A 89 14.891 5.864 16.665 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.326 6.222 15.676 1.00 0.00 H new ATOM 0 HG13 VAL A 89 14.742 6.895 15.222 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.108 4.351 15.788 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.944 5.374 14.340 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.266 3.632 14.168 1.00 0.00 H new ATOM 1428 N THR A 90 15.072 2.940 12.213 1.00 0.00 N ATOM 1429 CA THR A 90 14.361 2.041 11.311 1.00 0.00 C ATOM 1430 C THR A 90 13.393 1.159 12.092 1.00 0.00 C ATOM 1431 O THR A 90 13.740 0.625 13.146 1.00 0.00 O ATOM 1432 CB THR A 90 15.356 1.162 10.550 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.531 1.908 10.271 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.723 0.691 9.238 1.00 0.00 C ATOM 0 H THR A 90 15.883 2.528 12.674 1.00 0.00 H new ATOM 0 HA THR A 90 13.796 2.644 10.600 1.00 0.00 H new ATOM 0 HB THR A 90 15.614 0.295 11.158 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.169 1.344 9.785 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.432 0.065 8.696 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.823 0.116 9.454 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.463 1.556 8.628 1.00 0.00 H new ATOM 1442 N ASN A 91 12.179 1.010 11.566 1.00 0.00 N ATOM 1443 CA ASN A 91 11.165 0.189 12.219 1.00 0.00 C ATOM 1444 C ASN A 91 10.856 -1.047 11.378 1.00 0.00 C ATOM 1445 O ASN A 91 10.353 -0.936 10.262 1.00 0.00 O ATOM 1446 CB ASN A 91 9.888 1.006 12.423 1.00 0.00 C ATOM 1447 CG ASN A 91 10.230 2.489 12.530 1.00 0.00 C ATOM 1448 OD1 ASN A 91 11.258 2.863 13.242 1.00 0.00 O flip ATOM 1449 ND2 ASN A 91 9.541 3.330 11.953 1.00 0.00 N flip ATOM 0 H ASN A 91 11.876 1.445 10.695 1.00 0.00 H new ATOM 0 HA ASN A 91 11.548 -0.132 13.187 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.204 0.841 11.591 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.376 0.676 13.327 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.738 3.037 11.397 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.773 4.320 12.031 1.00 0.00 H new ATOM 1456 N ILE A 92 11.167 -2.220 11.922 1.00 0.00 N ATOM 1457 CA ILE A 92 10.923 -3.485 11.224 1.00 0.00 C ATOM 1458 C ILE A 92 9.715 -4.171 11.823 1.00 0.00 C ATOM 1459 O ILE A 92 9.749 -4.615 12.971 1.00 0.00 O ATOM 1460 CB ILE A 92 12.138 -4.398 11.352 1.00 0.00 C ATOM 1461 CG1 ILE A 92 13.434 -3.574 11.223 1.00 0.00 C ATOM 1462 CG2 ILE A 92 12.076 -5.475 10.266 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.465 -2.802 9.896 1.00 0.00 C ATOM 0 H ILE A 92 11.589 -2.324 12.845 1.00 0.00 H new ATOM 0 HA ILE A 92 10.741 -3.277 10.170 1.00 0.00 H new ATOM 0 HB ILE A 92 12.134 -4.878 12.331 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.509 -2.875 12.056 1.00 0.00 H new ATOM 0 HG13 ILE A 92 14.298 -4.236 11.283 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.943 -6.130 10.353 1.00 0.00 H new ATOM 0 HG22 ILE A 92 11.165 -6.061 10.386 1.00 0.00 H new ATOM 0 HG23 ILE A 92 12.076 -5.002 9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.390 -2.229 9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.414 -3.505 9.065 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.613 -2.123 9.850 1.00 0.00 H new ATOM 1475 N LEU A 93 8.644 -4.241 11.044 1.00 0.00 N ATOM 1476 CA LEU A 93 7.423 -4.870 11.525 1.00 0.00 C ATOM 1477 C LEU A 93 6.783 -5.742 10.461 1.00 0.00 C ATOM 1478 O LEU A 93 7.059 -5.603 9.272 1.00 0.00 O ATOM 1479 CB LEU A 93 6.409 -3.848 12.044 1.00 0.00 C ATOM 1480 CG LEU A 93 6.356 -2.602 11.171 1.00 0.00 C ATOM 1481 CD1 LEU A 93 7.649 -1.785 11.283 1.00 0.00 C ATOM 1482 CD2 LEU A 93 6.147 -2.976 9.715 1.00 0.00 C ATOM 0 H LEU A 93 8.595 -3.877 10.093 1.00 0.00 H new ATOM 0 HA LEU A 93 7.719 -5.504 12.361 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.421 -4.306 12.083 1.00 0.00 H new ATOM 0 HB3 LEU A 93 6.669 -3.565 13.064 1.00 0.00 H new ATOM 0 HG LEU A 93 5.519 -2.000 11.525 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.578 -0.902 10.647 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.796 -1.476 12.318 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.494 -2.395 10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.112 -2.071 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.971 -3.606 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.208 -3.520 9.610 1.00 0.00 H new ATOM 1494 N LYS A 94 5.919 -6.641 10.903 1.00 0.00 N ATOM 1495 CA LYS A 94 5.221 -7.535 9.991 1.00 0.00 C ATOM 1496 C LYS A 94 3.879 -6.941 9.570 1.00 0.00 C ATOM 1497 O LYS A 94 3.173 -6.337 10.377 1.00 0.00 O ATOM 1498 CB LYS A 94 4.995 -8.877 10.671 1.00 0.00 C ATOM 1499 CG LYS A 94 6.140 -9.846 10.326 1.00 0.00 C ATOM 1500 CD LYS A 94 5.795 -10.623 9.050 1.00 0.00 C ATOM 1501 CE LYS A 94 6.938 -11.583 8.710 1.00 0.00 C ATOM 1502 NZ LYS A 94 6.408 -12.973 8.599 1.00 0.00 N ATOM 0 H LYS A 94 5.684 -6.772 11.887 1.00 0.00 H new ATOM 0 HA LYS A 94 5.833 -7.670 9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.937 -8.741 11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.042 -9.299 10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.068 -9.292 10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.304 -10.539 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.868 -11.180 9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.630 -9.931 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.409 -11.287 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.707 -11.537 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.199 -13.648 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.779 -13.170 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.876 -13.072 7.711 1.00 0.00 H new ATOM 1516 N THR A 95 3.536 -7.124 8.298 1.00 0.00 N ATOM 1517 CA THR A 95 2.277 -6.610 7.769 1.00 0.00 C ATOM 1518 C THR A 95 1.219 -7.708 7.779 1.00 0.00 C ATOM 1519 O THR A 95 1.473 -8.819 8.244 1.00 0.00 O ATOM 1520 CB THR A 95 2.483 -6.105 6.335 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.769 -7.208 5.494 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.655 -5.122 6.298 1.00 0.00 C ATOM 0 H THR A 95 4.110 -7.622 7.617 1.00 0.00 H new ATOM 0 HA THR A 95 1.940 -5.785 8.397 1.00 0.00 H new ATOM 0 HB THR A 95 1.580 -5.601 5.992 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.689 -7.507 5.648 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.799 -4.765 5.278 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.441 -4.276 6.952 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.561 -5.623 6.638 1.00 0.00 H new ATOM 1530 N THR A 96 0.033 -7.395 7.268 1.00 0.00 N ATOM 1531 CA THR A 96 -1.044 -8.375 7.233 1.00 0.00 C ATOM 1532 C THR A 96 -0.746 -9.465 6.201 1.00 0.00 C ATOM 1533 O THR A 96 -1.064 -10.634 6.416 1.00 0.00 O ATOM 1534 CB THR A 96 -2.386 -7.678 6.926 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.393 -8.217 7.769 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.796 -7.891 5.468 1.00 0.00 C ATOM 0 H THR A 96 -0.204 -6.483 6.878 1.00 0.00 H new ATOM 0 HA THR A 96 -1.118 -8.850 8.211 1.00 0.00 H new ATOM 0 HB THR A 96 -2.267 -6.609 7.103 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.248 -7.777 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.745 -7.389 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.031 -7.478 4.811 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.905 -8.958 5.273 1.00 0.00 H new ATOM 1544 N GLN A 97 -0.141 -9.075 5.082 1.00 0.00 N ATOM 1545 CA GLN A 97 0.185 -10.030 4.028 1.00 0.00 C ATOM 1546 C GLN A 97 1.111 -11.124 4.552 1.00 0.00 C ATOM 1547 O GLN A 97 1.183 -12.212 3.983 1.00 0.00 O ATOM 1548 CB GLN A 97 0.841 -9.300 2.852 1.00 0.00 C ATOM 1549 CG GLN A 97 2.346 -9.151 3.070 1.00 0.00 C ATOM 1550 CD GLN A 97 3.069 -10.376 2.524 1.00 0.00 C ATOM 1551 OE1 GLN A 97 3.413 -11.286 3.281 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.321 -10.455 1.246 1.00 0.00 N ATOM 0 H GLN A 97 0.131 -8.112 4.883 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.738 -10.501 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.656 -9.850 1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.388 -8.316 2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.708 -8.251 2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.559 -9.035 4.133 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.035 -9.700 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.804 -11.271 0.871 1.00 0.00 H new ATOM 1561 N GLY A 98 1.821 -10.825 5.636 1.00 0.00 N ATOM 1562 CA GLY A 98 2.745 -11.791 6.220 1.00 0.00 C ATOM 1563 C GLY A 98 4.177 -11.502 5.784 1.00 0.00 C ATOM 1564 O GLY A 98 4.997 -12.415 5.678 1.00 0.00 O ATOM 0 H GLY A 98 1.775 -9.930 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.677 -11.755 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.464 -12.799 5.916 1.00 0.00 H new ATOM 1568 N SER A 99 4.467 -10.227 5.529 1.00 0.00 N ATOM 1569 CA SER A 99 5.803 -9.825 5.100 1.00 0.00 C ATOM 1570 C SER A 99 6.327 -8.674 5.958 1.00 0.00 C ATOM 1571 O SER A 99 5.560 -7.810 6.382 1.00 0.00 O ATOM 1572 CB SER A 99 5.772 -9.394 3.634 1.00 0.00 C ATOM 1573 OG SER A 99 5.683 -10.546 2.808 1.00 0.00 O ATOM 0 H SER A 99 3.799 -9.460 5.612 1.00 0.00 H new ATOM 0 HA SER A 99 6.470 -10.679 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.921 -8.737 3.454 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.670 -8.826 3.391 1.00 0.00 H new ATOM 0 HG SER A 99 5.148 -11.232 3.260 1.00 0.00 H new ATOM 1579 N LYS A 100 7.638 -8.662 6.208 1.00 0.00 N ATOM 1580 CA LYS A 100 8.234 -7.598 7.015 1.00 0.00 C ATOM 1581 C LYS A 100 8.585 -6.399 6.162 1.00 0.00 C ATOM 1582 O LYS A 100 9.044 -6.538 5.027 1.00 0.00 O ATOM 1583 CB LYS A 100 9.496 -8.077 7.730 1.00 0.00 C ATOM 1584 CG LYS A 100 10.404 -8.788 6.719 1.00 0.00 C ATOM 1585 CD LYS A 100 11.748 -9.126 7.365 1.00 0.00 C ATOM 1586 CE LYS A 100 12.589 -9.948 6.384 1.00 0.00 C ATOM 1587 NZ LYS A 100 12.206 -11.386 6.483 1.00 0.00 N ATOM 0 H LYS A 100 8.296 -9.364 5.870 1.00 0.00 H new ATOM 0 HA LYS A 100 7.488 -7.313 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.019 -7.232 8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.234 -8.755 8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.923 -9.700 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.560 -8.151 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.275 -8.211 7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.591 -9.687 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.434 -9.589 5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.649 -9.827 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.777 -11.944 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.375 -11.724 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.198 -11.494 6.250 1.00 0.00 H new ATOM 1601 N ILE A 101 8.376 -5.220 6.726 1.00 0.00 N ATOM 1602 CA ILE A 101 8.679 -3.991 6.026 1.00 0.00 C ATOM 1603 C ILE A 101 9.420 -3.024 6.949 1.00 0.00 C ATOM 1604 O ILE A 101 9.170 -2.979 8.165 1.00 0.00 O ATOM 1605 CB ILE A 101 7.392 -3.360 5.494 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.751 -2.129 4.664 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.483 -2.957 6.654 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.498 -1.569 3.989 1.00 0.00 C ATOM 0 H ILE A 101 7.998 -5.093 7.665 1.00 0.00 H new ATOM 0 HA ILE A 101 9.327 -4.215 5.179 1.00 0.00 H new ATOM 0 HB ILE A 101 6.862 -4.083 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.201 -1.369 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.493 -2.392 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.570 -2.509 6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.231 -3.839 7.242 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.999 -2.235 7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.764 -0.692 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.066 -2.328 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.770 -1.288 4.750 1.00 0.00 H new ATOM 1620 N PHE A 102 10.355 -2.281 6.358 1.00 0.00 N ATOM 1621 CA PHE A 102 11.171 -1.327 7.105 1.00 0.00 C ATOM 1622 C PHE A 102 10.622 0.084 6.944 1.00 0.00 C ATOM 1623 O PHE A 102 10.603 0.633 5.843 1.00 0.00 O ATOM 1624 CB PHE A 102 12.625 -1.368 6.615 1.00 0.00 C ATOM 1625 CG PHE A 102 12.914 -2.696 5.950 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.681 -2.741 4.781 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.416 -3.881 6.502 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.948 -3.971 4.166 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.678 -5.108 5.892 1.00 0.00 C ATOM 1630 CZ PHE A 102 13.445 -5.156 4.721 1.00 0.00 C ATOM 0 H PHE A 102 10.566 -2.322 5.361 1.00 0.00 H new ATOM 0 HA PHE A 102 11.139 -1.605 8.159 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.803 -0.554 5.912 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.304 -1.218 7.454 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.067 -1.828 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.825 -3.846 7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.541 -4.006 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.290 -6.020 6.322 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.649 -6.105 4.246 1.00 0.00 H new ATOM 1640 N LEU A 103 10.176 0.664 8.049 1.00 0.00 N ATOM 1641 CA LEU A 103 9.623 2.009 8.028 1.00 0.00 C ATOM 1642 C LEU A 103 10.570 2.978 8.716 1.00 0.00 C ATOM 1643 O LEU A 103 10.939 2.783 9.872 1.00 0.00 O ATOM 1644 CB LEU A 103 8.276 2.019 8.747 1.00 0.00 C ATOM 1645 CG LEU A 103 7.142 1.780 7.749 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.956 3.000 6.847 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.445 0.552 6.891 1.00 0.00 C ATOM 0 H LEU A 103 10.186 0.225 8.969 1.00 0.00 H new ATOM 0 HA LEU A 103 9.489 2.319 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.261 1.248 9.517 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.132 2.975 9.251 1.00 0.00 H new ATOM 0 HG LEU A 103 6.223 1.610 8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.145 2.812 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.713 3.870 7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.877 3.189 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.631 0.392 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.374 0.711 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.547 -0.324 7.532 1.00 0.00 H new ATOM 1659 N LYS A 104 10.966 4.018 7.997 1.00 0.00 N ATOM 1660 CA LYS A 104 11.872 5.008 8.553 1.00 0.00 C ATOM 1661 C LYS A 104 11.512 6.392 8.039 1.00 0.00 C ATOM 1662 O LYS A 104 11.346 6.583 6.840 1.00 0.00 O ATOM 1663 CB LYS A 104 13.311 4.664 8.162 1.00 0.00 C ATOM 1664 CG LYS A 104 14.260 5.730 8.726 1.00 0.00 C ATOM 1665 CD LYS A 104 15.696 5.187 8.807 1.00 0.00 C ATOM 1666 CE LYS A 104 16.348 5.248 7.425 1.00 0.00 C ATOM 1667 NZ LYS A 104 16.520 6.673 7.025 1.00 0.00 N ATOM 0 H LYS A 104 10.676 4.196 7.035 1.00 0.00 H new ATOM 0 HA LYS A 104 11.783 5.003 9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.580 3.681 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.403 4.616 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.236 6.617 8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.925 6.036 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.277 5.772 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.687 4.159 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.314 4.744 7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.730 4.725 6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.517 6.849 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.927 6.874 6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.236 7.291 7.812 1.00 0.00 H new ATOM 1681 N GLU A 105 11.385 7.353 8.949 1.00 0.00 N ATOM 1682 CA GLU A 105 11.043 8.714 8.556 1.00 0.00 C ATOM 1683 C GLU A 105 12.175 9.666 8.918 1.00 0.00 C ATOM 1684 O GLU A 105 12.731 9.596 10.013 1.00 0.00 O ATOM 1685 CB GLU A 105 9.749 9.163 9.241 1.00 0.00 C ATOM 1686 CG GLU A 105 9.977 9.229 10.747 1.00 0.00 C ATOM 1687 CD GLU A 105 8.698 8.855 11.488 1.00 0.00 C ATOM 1688 OE1 GLU A 105 8.628 7.741 11.984 1.00 0.00 O ATOM 1689 OE2 GLU A 105 7.807 9.686 11.549 1.00 0.00 O ATOM 0 H GLU A 105 11.512 7.217 9.952 1.00 0.00 H new ATOM 0 HA GLU A 105 10.893 8.732 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.443 10.139 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.942 8.467 9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.782 8.551 11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.291 10.233 11.031 1.00 0.00 H new ATOM 1696 N VAL A 106 12.516 10.548 7.986 1.00 0.00 N ATOM 1697 CA VAL A 106 13.593 11.506 8.211 1.00 0.00 C ATOM 1698 C VAL A 106 13.190 12.899 7.739 1.00 0.00 C ATOM 1699 O VAL A 106 12.473 13.046 6.750 1.00 0.00 O ATOM 1700 CB VAL A 106 14.849 11.061 7.465 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.798 12.249 7.309 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.539 9.949 8.256 1.00 0.00 C ATOM 0 H VAL A 106 12.066 10.620 7.073 1.00 0.00 H new ATOM 0 HA VAL A 106 13.795 11.545 9.281 1.00 0.00 H new ATOM 0 HB VAL A 106 14.576 10.688 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.694 11.931 6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.302 13.039 6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 106 16.075 12.625 8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.436 9.629 7.726 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.814 10.321 9.243 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.860 9.103 8.363 1.00 0.00 H new ATOM 1712 N ASN A 107 13.658 13.917 8.454 1.00 0.00 N ATOM 1713 CA ASN A 107 13.342 15.295 8.101 1.00 0.00 C ATOM 1714 C ASN A 107 11.857 15.438 7.799 1.00 0.00 C ATOM 1715 O ASN A 107 11.461 16.199 6.915 1.00 0.00 O ATOM 1716 CB ASN A 107 14.156 15.723 6.877 1.00 0.00 C ATOM 1717 CG ASN A 107 15.603 15.984 7.277 1.00 0.00 C ATOM 1718 OD1 ASN A 107 16.066 15.479 8.387 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 16.334 16.668 6.559 1.00 0.00 N flip ATOM 0 H ASN A 107 14.253 13.814 9.276 1.00 0.00 H new ATOM 0 HA ASN A 107 13.596 15.935 8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.116 14.946 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.723 16.623 6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.972 17.063 5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.302 16.840 6.832 1.00 0.00 H new ATOM 1726 N ASP A 108 11.037 14.698 8.536 1.00 0.00 N ATOM 1727 CA ASP A 108 9.596 14.750 8.336 1.00 0.00 C ATOM 1728 C ASP A 108 9.232 14.181 6.966 1.00 0.00 C ATOM 1729 O ASP A 108 8.354 14.705 6.280 1.00 0.00 O ATOM 1730 CB ASP A 108 9.108 16.198 8.449 1.00 0.00 C ATOM 1731 CG ASP A 108 7.765 16.245 9.169 1.00 0.00 C ATOM 1732 OD1 ASP A 108 7.746 16.653 10.319 1.00 0.00 O ATOM 1733 OD2 ASP A 108 6.775 15.872 8.561 1.00 0.00 O ATOM 0 H ASP A 108 11.343 14.060 9.271 1.00 0.00 H new ATOM 0 HA ASP A 108 9.111 14.148 9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.841 16.795 8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 108 9.012 16.636 7.455 1.00 0.00 H new ATOM 1738 N THR A 109 9.906 13.097 6.577 1.00 0.00 N ATOM 1739 CA THR A 109 9.635 12.461 5.288 1.00 0.00 C ATOM 1740 C THR A 109 9.520 10.963 5.454 1.00 0.00 C ATOM 1741 O THR A 109 10.446 10.317 5.932 1.00 0.00 O ATOM 1742 CB THR A 109 10.748 12.754 4.281 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.219 14.083 4.467 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.183 12.598 2.868 1.00 0.00 C ATOM 0 H THR A 109 10.635 12.646 7.129 1.00 0.00 H new ATOM 0 HA THR A 109 8.696 12.870 4.915 1.00 0.00 H new ATOM 0 HB THR A 109 11.577 12.061 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.782 14.121 5.268 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.966 12.804 2.138 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.819 11.580 2.732 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.361 13.299 2.726 1.00 0.00 H new ATOM 1752 N LEU A 110 8.387 10.415 5.047 1.00 0.00 N ATOM 1753 CA LEU A 110 8.173 8.982 5.156 1.00 0.00 C ATOM 1754 C LEU A 110 9.075 8.232 4.185 1.00 0.00 C ATOM 1755 O LEU A 110 8.830 8.225 2.978 1.00 0.00 O ATOM 1756 CB LEU A 110 6.711 8.648 4.859 1.00 0.00 C ATOM 1757 CG LEU A 110 6.303 7.375 5.604 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.887 6.982 5.188 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.260 6.233 5.255 1.00 0.00 C ATOM 0 H LEU A 110 7.608 10.935 4.642 1.00 0.00 H new ATOM 0 HA LEU A 110 8.416 8.673 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.071 9.477 5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.571 8.512 3.787 1.00 0.00 H new ATOM 0 HG LEU A 110 6.341 7.562 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.591 6.075 5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.197 7.789 5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.860 6.801 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.961 5.332 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.227 6.046 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.275 6.507 5.544 1.00 0.00 H new ATOM 1771 N LEU A 111 10.111 7.596 4.724 1.00 0.00 N ATOM 1772 CA LEU A 111 11.040 6.834 3.903 1.00 0.00 C ATOM 1773 C LEU A 111 10.906 5.344 4.205 1.00 0.00 C ATOM 1774 O LEU A 111 11.288 4.871 5.275 1.00 0.00 O ATOM 1775 CB LEU A 111 12.473 7.299 4.149 1.00 0.00 C ATOM 1776 CG LEU A 111 12.752 8.501 3.248 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.760 9.430 3.898 1.00 0.00 C ATOM 1778 CD2 LEU A 111 13.310 8.012 1.919 1.00 0.00 C ATOM 0 H LEU A 111 10.326 7.594 5.721 1.00 0.00 H new ATOM 0 HA LEU A 111 10.798 7.002 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.609 7.570 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.175 6.493 3.935 1.00 0.00 H new ATOM 0 HG LEU A 111 11.821 9.045 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.947 10.280 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.366 9.786 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.693 8.892 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.511 8.866 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.235 7.463 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.584 7.356 1.439 1.00 0.00 H new ATOM 1790 N VAL A 112 10.364 4.612 3.250 1.00 0.00 N ATOM 1791 CA VAL A 112 10.187 3.169 3.416 1.00 0.00 C ATOM 1792 C VAL A 112 11.274 2.436 2.635 1.00 0.00 C ATOM 1793 O VAL A 112 11.365 2.565 1.420 1.00 0.00 O ATOM 1794 CB VAL A 112 8.796 2.734 2.930 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.295 3.680 1.835 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.857 1.295 2.394 1.00 0.00 C ATOM 0 H VAL A 112 10.039 4.982 2.357 1.00 0.00 H new ATOM 0 HA VAL A 112 10.268 2.919 4.474 1.00 0.00 H new ATOM 0 HB VAL A 112 8.102 2.774 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.308 3.359 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.232 4.694 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.987 3.661 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.868 0.992 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.560 1.246 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.187 0.625 3.188 1.00 0.00 H new ATOM 1806 N ASN A 113 12.102 1.678 3.340 1.00 0.00 N ATOM 1807 CA ASN A 113 13.179 0.945 2.685 1.00 0.00 C ATOM 1808 C ASN A 113 13.996 1.878 1.795 1.00 0.00 C ATOM 1809 O ASN A 113 14.190 1.608 0.609 1.00 0.00 O ATOM 1810 CB ASN A 113 12.602 -0.187 1.835 1.00 0.00 C ATOM 1811 CG ASN A 113 12.008 -1.263 2.735 1.00 0.00 C ATOM 1812 OD1 ASN A 113 11.658 -0.991 3.883 1.00 0.00 O ATOM 1813 ND2 ASN A 113 11.874 -2.476 2.278 1.00 0.00 N ATOM 0 H ASN A 113 12.052 1.554 4.351 1.00 0.00 H new ATOM 0 HA ASN A 113 13.828 0.528 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.835 0.204 1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.383 -0.616 1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.478 -3.204 2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.165 -2.697 1.326 1.00 0.00 H new ATOM 1820 N GLU A 114 14.482 2.971 2.379 1.00 0.00 N ATOM 1821 CA GLU A 114 15.288 3.943 1.642 1.00 0.00 C ATOM 1822 C GLU A 114 14.508 4.548 0.475 1.00 0.00 C ATOM 1823 O GLU A 114 15.085 5.239 -0.365 1.00 0.00 O ATOM 1824 CB GLU A 114 16.567 3.285 1.111 1.00 0.00 C ATOM 1825 CG GLU A 114 17.750 3.691 1.989 1.00 0.00 C ATOM 1826 CD GLU A 114 17.485 3.289 3.435 1.00 0.00 C ATOM 1827 OE1 GLU A 114 17.312 4.177 4.255 1.00 0.00 O ATOM 1828 OE2 GLU A 114 17.461 2.100 3.704 1.00 0.00 O ATOM 0 H GLU A 114 14.332 3.206 3.360 1.00 0.00 H new ATOM 0 HA GLU A 114 15.548 4.742 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.457 2.201 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.744 3.589 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.661 3.212 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.909 4.767 1.925 1.00 0.00 H new ATOM 1835 N LEU A 115 13.204 4.281 0.414 1.00 0.00 N ATOM 1836 CA LEU A 115 12.376 4.791 -0.647 1.00 0.00 C ATOM 1837 C LEU A 115 11.494 5.922 -0.148 1.00 0.00 C ATOM 1838 O LEU A 115 10.667 5.734 0.744 1.00 0.00 O ATOM 1839 CB LEU A 115 11.506 3.652 -1.125 1.00 0.00 C ATOM 1840 CG LEU A 115 11.112 3.837 -2.569 1.00 0.00 C ATOM 1841 CD1 LEU A 115 10.356 5.161 -2.751 1.00 0.00 C ATOM 1842 CD2 LEU A 115 12.344 3.804 -3.485 1.00 0.00 C ATOM 0 H LEU A 115 12.708 3.709 1.098 1.00 0.00 H new ATOM 0 HA LEU A 115 13.000 5.181 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 115 12.040 2.709 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.611 3.590 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 115 10.456 3.012 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.078 5.280 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.456 5.154 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.996 5.990 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.031 3.940 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 115 13.028 4.605 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 115 12.849 2.844 -3.381 1.00 0.00 H new ATOM 1854 N LYS A 116 11.672 7.091 -0.727 1.00 0.00 N ATOM 1855 CA LYS A 116 10.885 8.241 -0.333 1.00 0.00 C ATOM 1856 C LYS A 116 9.468 8.100 -0.869 1.00 0.00 C ATOM 1857 O LYS A 116 9.260 7.877 -2.062 1.00 0.00 O ATOM 1858 CB LYS A 116 11.546 9.516 -0.879 1.00 0.00 C ATOM 1859 CG LYS A 116 11.493 10.668 0.158 1.00 0.00 C ATOM 1860 CD LYS A 116 12.777 11.520 0.116 1.00 0.00 C ATOM 1861 CE LYS A 116 12.595 12.660 -0.882 1.00 0.00 C ATOM 1862 NZ LYS A 116 13.843 13.475 -0.938 1.00 0.00 N ATOM 0 H LYS A 116 12.350 7.270 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 116 10.838 8.304 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.583 9.307 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.043 9.825 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.628 11.300 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.361 10.254 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.994 11.920 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.628 10.902 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.364 12.260 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.752 13.285 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.720 14.252 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.044 13.868 0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.637 12.874 -1.239 1.00 0.00 H new ATOM 1876 N SER A 117 8.498 8.212 0.028 1.00 0.00 N ATOM 1877 CA SER A 117 7.099 8.078 -0.355 1.00 0.00 C ATOM 1878 C SER A 117 6.584 9.363 -0.991 1.00 0.00 C ATOM 1879 O SER A 117 6.970 10.464 -0.590 1.00 0.00 O ATOM 1880 CB SER A 117 6.261 7.740 0.875 1.00 0.00 C ATOM 1881 OG SER A 117 6.948 6.770 1.655 1.00 0.00 O ATOM 0 H SER A 117 8.652 8.394 1.020 1.00 0.00 H new ATOM 0 HA SER A 117 7.017 7.275 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.081 8.638 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.286 7.357 0.572 1.00 0.00 H new ATOM 0 HG SER A 117 6.396 5.965 1.736 1.00 0.00 H new ATOM 1887 N LYS A 118 5.708 9.219 -1.979 1.00 0.00 N ATOM 1888 CA LYS A 118 5.141 10.375 -2.655 1.00 0.00 C ATOM 1889 C LYS A 118 4.124 11.050 -1.748 1.00 0.00 C ATOM 1890 O LYS A 118 4.176 12.260 -1.537 1.00 0.00 O ATOM 1891 CB LYS A 118 4.465 9.936 -3.953 1.00 0.00 C ATOM 1892 CG LYS A 118 5.500 9.272 -4.870 1.00 0.00 C ATOM 1893 CD LYS A 118 6.382 10.333 -5.547 1.00 0.00 C ATOM 1894 CE LYS A 118 7.848 10.099 -5.169 1.00 0.00 C ATOM 1895 NZ LYS A 118 8.702 11.141 -5.806 1.00 0.00 N ATOM 0 H LYS A 118 5.378 8.319 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 118 5.938 11.081 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.655 9.239 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.020 10.796 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.122 8.590 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.993 8.675 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.262 10.283 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.071 11.331 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.964 10.132 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.164 9.108 -5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.697 10.980 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.600 11.089 -6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.406 12.082 -5.475 1.00 0.00 H new ATOM 1909 N GLU A 119 3.211 10.256 -1.192 1.00 0.00 N ATOM 1910 CA GLU A 119 2.214 10.799 -0.288 1.00 0.00 C ATOM 1911 C GLU A 119 1.927 9.808 0.825 1.00 0.00 C ATOM 1912 O GLU A 119 1.919 8.599 0.609 1.00 0.00 O ATOM 1913 CB GLU A 119 0.915 11.120 -1.034 1.00 0.00 C ATOM 1914 CG GLU A 119 0.648 12.631 -1.016 1.00 0.00 C ATOM 1915 CD GLU A 119 0.597 13.182 0.411 1.00 0.00 C ATOM 1916 OE1 GLU A 119 0.732 12.402 1.335 1.00 0.00 O ATOM 1917 OE2 GLU A 119 0.429 14.381 0.555 1.00 0.00 O ATOM 0 H GLU A 119 3.145 9.251 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 119 2.609 11.722 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.983 10.768 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.082 10.591 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.429 13.145 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.296 12.839 -1.520 1.00 0.00 H new ATOM 1924 N SER A 120 1.693 10.328 2.015 1.00 0.00 N ATOM 1925 CA SER A 120 1.410 9.483 3.162 1.00 0.00 C ATOM 1926 C SER A 120 0.724 10.278 4.257 1.00 0.00 C ATOM 1927 O SER A 120 0.926 11.486 4.375 1.00 0.00 O ATOM 1928 CB SER A 120 2.710 8.894 3.708 1.00 0.00 C ATOM 1929 OG SER A 120 3.072 9.590 4.893 1.00 0.00 O ATOM 0 H SER A 120 1.693 11.328 2.214 1.00 0.00 H new ATOM 0 HA SER A 120 0.748 8.679 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.583 7.832 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.503 8.978 2.965 1.00 0.00 H new ATOM 0 HG SER A 120 3.951 10.006 4.772 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.084 9.593 5.057 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.795 10.253 6.151 1.00 0.00 C ATOM 1937 C ASP A 121 -1.952 11.074 5.613 1.00 0.00 C ATOM 1938 O ASP A 121 -2.513 11.910 6.318 1.00 0.00 O ATOM 1939 CB ASP A 121 0.145 11.169 6.942 1.00 0.00 C ATOM 1940 CG ASP A 121 1.556 10.591 6.969 1.00 0.00 C ATOM 1941 OD1 ASP A 121 2.480 11.316 6.636 1.00 0.00 O ATOM 1942 OD2 ASP A 121 1.693 9.432 7.322 1.00 0.00 O ATOM 0 H ASP A 121 -0.264 8.592 4.973 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.176 9.476 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.161 12.161 6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.225 11.288 7.960 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.305 10.823 4.366 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.401 11.537 3.735 1.00 0.00 C ATOM 1949 C ILE A 122 -4.573 11.679 4.707 1.00 0.00 C ATOM 1950 O ILE A 122 -5.390 12.593 4.586 1.00 0.00 O ATOM 1951 CB ILE A 122 -3.835 10.767 2.492 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -2.683 10.701 1.461 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.072 11.417 1.890 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.209 12.094 1.055 1.00 0.00 C ATOM 0 H ILE A 122 -1.850 10.131 3.770 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.073 12.537 3.453 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.083 9.744 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -1.848 10.141 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.017 10.158 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.378 10.864 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.881 11.407 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.844 12.447 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.400 12.006 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -3.037 12.645 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.851 12.628 1.936 1.00 0.00 H new ATOM 1966 N MET A 123 -4.646 10.770 5.667 1.00 0.00 N ATOM 1967 CA MET A 123 -5.708 10.785 6.670 1.00 0.00 C ATOM 1968 C MET A 123 -7.066 10.570 6.019 1.00 0.00 C ATOM 1969 O MET A 123 -7.638 11.486 5.428 1.00 0.00 O ATOM 1970 CB MET A 123 -5.702 12.120 7.430 1.00 0.00 C ATOM 1971 CG MET A 123 -5.184 11.928 8.859 1.00 0.00 C ATOM 1972 SD MET A 123 -3.628 10.986 8.855 1.00 0.00 S ATOM 1973 CE MET A 123 -4.194 9.429 9.609 1.00 0.00 C ATOM 0 H MET A 123 -3.979 10.006 5.776 1.00 0.00 H new ATOM 0 HA MET A 123 -5.525 9.972 7.372 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.075 12.840 6.904 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.710 12.534 7.456 1.00 0.00 H new ATOM 0 HG2 MET A 123 -5.026 12.899 9.328 1.00 0.00 H new ATOM 0 HG3 MET A 123 -5.931 11.404 9.455 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.621 8.597 9.199 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.048 9.473 10.688 1.00 0.00 H new ATOM 0 HE3 MET A 123 -5.252 9.283 9.391 1.00 0.00 H new ATOM 1983 N THR A 124 -7.576 9.351 6.143 1.00 0.00 N ATOM 1984 CA THR A 124 -8.874 9.018 5.570 1.00 0.00 C ATOM 1985 C THR A 124 -9.929 8.971 6.662 1.00 0.00 C ATOM 1986 O THR A 124 -9.631 9.197 7.834 1.00 0.00 O ATOM 1987 CB THR A 124 -8.820 7.664 4.859 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.892 6.621 5.820 1.00 0.00 O ATOM 1989 CG2 THR A 124 -7.517 7.542 4.071 1.00 0.00 C ATOM 0 H THR A 124 -7.115 8.583 6.631 1.00 0.00 H new ATOM 0 HA THR A 124 -9.133 9.789 4.844 1.00 0.00 H new ATOM 0 HB THR A 124 -9.663 7.587 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.517 6.933 6.670 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.485 6.576 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.464 8.339 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 124 -6.670 7.624 4.753 1.00 0.00 H new ATOM 1997 N THR A 125 -11.164 8.682 6.272 1.00 0.00 N ATOM 1998 CA THR A 125 -12.253 8.614 7.234 1.00 0.00 C ATOM 1999 C THR A 125 -12.321 7.236 7.878 1.00 0.00 C ATOM 2000 O THR A 125 -12.953 7.057 8.919 1.00 0.00 O ATOM 2001 CB THR A 125 -13.573 8.922 6.536 1.00 0.00 C ATOM 2002 OG1 THR A 125 -13.809 7.956 5.521 1.00 0.00 O ATOM 2003 CG2 THR A 125 -13.495 10.314 5.916 1.00 0.00 C ATOM 0 H THR A 125 -11.434 8.493 5.307 1.00 0.00 H new ATOM 0 HA THR A 125 -12.071 9.351 8.016 1.00 0.00 H new ATOM 0 HB THR A 125 -14.390 8.889 7.257 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.149 7.131 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 125 -14.436 10.542 5.415 1.00 0.00 H new ATOM 0 HG22 THR A 125 -13.313 11.051 6.698 1.00 0.00 H new ATOM 0 HG23 THR A 125 -12.681 10.345 5.192 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.665 6.265 7.252 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.659 4.904 7.774 1.00 0.00 C ATOM 2013 C ASN A 126 -10.248 4.322 7.773 1.00 0.00 C ATOM 2014 O ASN A 126 -10.057 3.146 7.475 1.00 0.00 O ATOM 2015 CB ASN A 126 -12.586 4.014 6.942 1.00 0.00 C ATOM 2016 CG ASN A 126 -14.041 4.296 7.304 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -14.347 4.585 8.460 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -14.962 4.229 6.380 1.00 0.00 N ATOM 0 H ASN A 126 -11.135 6.393 6.390 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.018 4.937 8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -12.424 4.198 5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -12.354 2.964 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -15.936 4.416 6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -14.707 3.989 5.422 1.00 0.00 H new ATOM 2025 N GLY A 127 -9.256 5.149 8.102 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.876 4.678 8.140 1.00 0.00 C ATOM 2027 C GLY A 127 -6.921 5.687 7.524 1.00 0.00 C ATOM 2028 O GLY A 127 -7.200 6.885 7.485 1.00 0.00 O ATOM 0 H GLY A 127 -9.380 6.132 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.585 4.485 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.800 3.731 7.605 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.786 5.188 7.047 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.778 6.046 6.437 1.00 0.00 C ATOM 2034 C VAL A 128 -4.314 5.468 5.113 1.00 0.00 C ATOM 2035 O VAL A 128 -4.599 4.312 4.797 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.581 6.176 7.373 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.794 4.866 7.387 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.659 7.304 6.912 1.00 0.00 C ATOM 0 H VAL A 128 -5.542 4.198 7.071 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.220 7.026 6.260 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.949 6.402 8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.939 4.962 8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.438 4.058 7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.442 4.642 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.811 7.382 7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.299 7.091 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.209 8.245 6.909 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.598 6.282 4.345 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.096 5.845 3.051 1.00 0.00 C ATOM 2050 C ILE A 129 -1.605 6.144 2.913 1.00 0.00 C ATOM 2051 O ILE A 129 -1.091 7.122 3.483 1.00 0.00 O ATOM 2052 CB ILE A 129 -3.865 6.552 1.926 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.228 5.878 1.727 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.066 6.483 0.620 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.093 6.737 0.798 1.00 0.00 C ATOM 0 H ILE A 129 -3.354 7.240 4.595 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.243 4.768 2.977 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.012 7.596 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.095 4.884 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.726 5.749 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.619 6.987 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.102 6.972 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.908 5.440 0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.062 6.258 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.237 7.722 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.596 6.843 -0.167 1.00 0.00 H new ATOM 2067 N HIS A 130 -0.922 5.309 2.126 1.00 0.00 N ATOM 2068 CA HIS A 130 0.498 5.491 1.874 1.00 0.00 C ATOM 2069 C HIS A 130 0.771 5.290 0.393 1.00 0.00 C ATOM 2070 O HIS A 130 0.717 4.173 -0.111 1.00 0.00 O ATOM 2071 CB HIS A 130 1.311 4.491 2.699 1.00 0.00 C ATOM 2072 CG HIS A 130 2.793 4.753 2.565 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.701 4.268 3.495 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.547 5.427 1.629 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.929 4.650 3.103 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.892 5.360 1.976 1.00 0.00 N ATOM 0 H HIS A 130 -1.334 4.503 1.656 1.00 0.00 H new ATOM 0 HA HIS A 130 0.792 6.500 2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 130 1.020 4.558 3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 130 1.087 3.476 2.370 1.00 0.00 H new ATOM 0 HD1 HIS A 130 3.477 3.721 4.326 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.153 5.931 0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.836 4.410 3.637 1.00 0.00 H new ATOM 2085 N VAL A 131 1.098 6.382 -0.283 1.00 0.00 N ATOM 2086 CA VAL A 131 1.408 6.340 -1.705 1.00 0.00 C ATOM 2087 C VAL A 131 2.912 6.281 -1.918 1.00 0.00 C ATOM 2088 O VAL A 131 3.643 7.190 -1.511 1.00 0.00 O ATOM 2089 CB VAL A 131 0.846 7.577 -2.405 1.00 0.00 C ATOM 2090 CG1 VAL A 131 1.091 7.462 -3.910 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.658 7.678 -2.142 1.00 0.00 C ATOM 0 H VAL A 131 1.156 7.312 0.132 1.00 0.00 H new ATOM 0 HA VAL A 131 0.951 5.446 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 131 1.341 8.468 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.691 8.343 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.162 7.391 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.595 6.570 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.056 8.561 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.155 6.788 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.835 7.758 -1.069 1.00 0.00 H new ATOM 2101 N VAL A 132 3.361 5.207 -2.562 1.00 0.00 N ATOM 2102 CA VAL A 132 4.789 5.027 -2.829 1.00 0.00 C ATOM 2103 C VAL A 132 5.056 5.010 -4.326 1.00 0.00 C ATOM 2104 O VAL A 132 4.125 4.983 -5.132 1.00 0.00 O ATOM 2105 CB VAL A 132 5.277 3.719 -2.206 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.032 3.748 -0.697 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.511 2.544 -2.819 1.00 0.00 C ATOM 0 H VAL A 132 2.765 4.454 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 132 5.329 5.863 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 132 6.343 3.603 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.380 2.815 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.575 4.584 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.966 3.866 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.859 1.611 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.445 2.663 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.683 2.520 -3.895 1.00 0.00 H new ATOM 2117 N ASP A 133 6.334 5.026 -4.688 1.00 0.00 N ATOM 2118 CA ASP A 133 6.720 5.016 -6.093 1.00 0.00 C ATOM 2119 C ASP A 133 7.660 3.858 -6.397 1.00 0.00 C ATOM 2120 O ASP A 133 8.630 4.013 -7.138 1.00 0.00 O ATOM 2121 CB ASP A 133 7.398 6.330 -6.460 1.00 0.00 C ATOM 2122 CG ASP A 133 7.075 6.694 -7.904 1.00 0.00 C ATOM 2123 OD1 ASP A 133 6.025 7.271 -8.129 1.00 0.00 O ATOM 2124 OD2 ASP A 133 7.884 6.387 -8.766 1.00 0.00 O ATOM 0 H ASP A 133 7.115 5.046 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 133 5.815 4.893 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.061 7.122 -5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.477 6.241 -6.331 1.00 0.00 H new ATOM 2129 N LYS A 134 7.349 2.689 -5.850 1.00 0.00 N ATOM 2130 CA LYS A 134 8.162 1.505 -6.108 1.00 0.00 C ATOM 2131 C LYS A 134 7.485 0.261 -5.541 1.00 0.00 C ATOM 2132 O LYS A 134 6.682 0.354 -4.612 1.00 0.00 O ATOM 2133 CB LYS A 134 9.542 1.678 -5.478 1.00 0.00 C ATOM 2134 CG LYS A 134 10.480 0.532 -5.892 1.00 0.00 C ATOM 2135 CD LYS A 134 10.578 -0.508 -4.769 1.00 0.00 C ATOM 2136 CE LYS A 134 11.592 -0.059 -3.709 1.00 0.00 C ATOM 2137 NZ LYS A 134 12.915 0.195 -4.350 1.00 0.00 N ATOM 0 H LYS A 134 6.551 2.535 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 134 8.271 1.383 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.970 2.633 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.450 1.704 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 134 10.109 0.060 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.470 0.927 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.600 -0.648 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.877 -1.471 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.238 0.845 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.691 -0.825 -2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.673 0.048 -3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.046 -0.460 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.950 1.175 -4.698 1.00 0.00 H new ATOM 2151 N LEU A 135 7.804 -0.901 -6.105 1.00 0.00 N ATOM 2152 CA LEU A 135 7.202 -2.144 -5.639 1.00 0.00 C ATOM 2153 C LEU A 135 7.991 -2.714 -4.464 1.00 0.00 C ATOM 2154 O LEU A 135 9.198 -2.937 -4.564 1.00 0.00 O ATOM 2155 CB LEU A 135 7.170 -3.172 -6.772 1.00 0.00 C ATOM 2156 CG LEU A 135 5.724 -3.462 -7.206 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.892 -4.043 -6.055 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.082 -2.165 -7.690 1.00 0.00 C ATOM 0 H LEU A 135 8.466 -1.007 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 135 6.184 -1.928 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.742 -2.801 -7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.648 -4.095 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 135 5.749 -4.201 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.876 -4.235 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.342 -4.976 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.866 -3.332 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.056 -2.361 -8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.084 -1.434 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.648 -1.772 -8.535 1.00 0.00 H new ATOM 2170 N LEU A 136 7.309 -2.936 -3.348 1.00 0.00 N ATOM 2171 CA LEU A 136 7.961 -3.460 -2.148 1.00 0.00 C ATOM 2172 C LEU A 136 8.281 -4.941 -2.252 1.00 0.00 C ATOM 2173 O LEU A 136 9.361 -5.388 -1.870 1.00 0.00 O ATOM 2174 CB LEU A 136 7.058 -3.224 -0.939 1.00 0.00 C ATOM 2175 CG LEU A 136 6.776 -1.727 -0.801 1.00 0.00 C ATOM 2176 CD1 LEU A 136 5.770 -1.498 0.323 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.074 -0.984 -0.485 1.00 0.00 C ATOM 0 H LEU A 136 6.309 -2.763 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 136 8.907 -2.930 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.123 -3.772 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.536 -3.600 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 136 6.365 -1.351 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.570 -0.431 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.842 -2.022 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 136 6.178 -1.878 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.869 0.082 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.490 -1.360 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.790 -1.143 -1.291 1.00 0.00 H new ATOM 2189 N TYR A 137 7.330 -5.690 -2.743 1.00 0.00 N ATOM 2190 CA TYR A 137 7.495 -7.132 -2.870 1.00 0.00 C ATOM 2191 C TYR A 137 8.766 -7.459 -3.661 1.00 0.00 C ATOM 2192 O TYR A 137 9.218 -6.647 -4.467 1.00 0.00 O ATOM 2193 CB TYR A 137 6.263 -7.728 -3.559 1.00 0.00 C ATOM 2194 CG TYR A 137 6.544 -7.958 -5.023 1.00 0.00 C ATOM 2195 CD1 TYR A 137 6.721 -6.874 -5.874 1.00 0.00 C ATOM 2196 CD2 TYR A 137 6.608 -9.255 -5.526 1.00 0.00 C ATOM 2197 CE1 TYR A 137 6.956 -7.077 -7.238 1.00 0.00 C ATOM 2198 CE2 TYR A 137 6.847 -9.470 -6.889 1.00 0.00 C ATOM 2199 CZ TYR A 137 7.022 -8.379 -7.747 1.00 0.00 C ATOM 2200 OH TYR A 137 7.255 -8.586 -9.093 1.00 0.00 O ATOM 0 H TYR A 137 6.429 -5.335 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 137 7.594 -7.570 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 137 5.990 -8.669 -3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 137 5.413 -7.055 -3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 137 6.677 -5.869 -5.480 1.00 0.00 H new ATOM 0 HD2 TYR A 137 6.473 -10.097 -4.863 1.00 0.00 H new ATOM 0 HE1 TYR A 137 7.086 -6.231 -7.897 1.00 0.00 H new ATOM 0 HE2 TYR A 137 6.896 -10.477 -7.277 1.00 0.00 H new ATOM 0 HH TYR A 137 7.271 -9.548 -9.278 1.00 0.00 H new ATOM 2210 N PRO A 138 9.349 -8.619 -3.452 1.00 0.00 N ATOM 2211 CA PRO A 138 10.593 -9.029 -4.170 1.00 0.00 C ATOM 2212 C PRO A 138 10.325 -9.393 -5.630 1.00 0.00 C ATOM 2213 O PRO A 138 9.313 -8.994 -6.200 1.00 0.00 O ATOM 2214 CB PRO A 138 11.081 -10.244 -3.373 1.00 0.00 C ATOM 2215 CG PRO A 138 9.852 -10.830 -2.769 1.00 0.00 C ATOM 2216 CD PRO A 138 8.898 -9.667 -2.513 1.00 0.00 C ATOM 0 HA PRO A 138 11.327 -8.224 -4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.584 -10.963 -4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.796 -9.950 -2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.401 -11.561 -3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 138 10.086 -11.351 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 138 7.863 -9.952 -2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 138 8.953 -9.326 -1.479 1.00 0.00 H new ATOM 2224 N ALA A 139 11.241 -10.149 -6.228 1.00 0.00 N ATOM 2225 CA ALA A 139 11.091 -10.561 -7.618 1.00 0.00 C ATOM 2226 C ALA A 139 11.484 -12.022 -7.785 1.00 0.00 C ATOM 2227 O ALA A 139 10.697 -12.842 -8.252 1.00 0.00 O ATOM 2228 CB ALA A 139 11.960 -9.686 -8.520 1.00 0.00 C ATOM 0 H ALA A 139 12.090 -10.487 -5.774 1.00 0.00 H new ATOM 0 HA ALA A 139 10.046 -10.444 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 139 11.841 -10.001 -9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 139 11.654 -8.644 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 139 13.005 -9.787 -8.227 1.00 0.00 H new ATOM 2234 N ASP A 140 12.708 -12.335 -7.396 1.00 0.00 N ATOM 2235 CA ASP A 140 13.208 -13.702 -7.501 1.00 0.00 C ATOM 2236 C ASP A 140 12.170 -14.692 -6.980 1.00 0.00 C ATOM 2237 O ASP A 140 11.484 -14.425 -5.993 1.00 0.00 O ATOM 2238 CB ASP A 140 14.504 -13.850 -6.702 1.00 0.00 C ATOM 2239 CG ASP A 140 14.215 -13.724 -5.209 1.00 0.00 C ATOM 2240 OD1 ASP A 140 13.469 -12.831 -4.844 1.00 0.00 O ATOM 2241 OD2 ASP A 140 14.746 -14.521 -4.454 1.00 0.00 O ATOM 0 H ASP A 140 13.374 -11.668 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 140 13.405 -13.917 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.962 -14.817 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 140 15.219 -13.086 -7.008 1.00 0.00 H new TER 2246 ASP A 140