USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 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 NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 90 LYS NZ :NH3+ -149:sc= 0.958 (180deg=-1.06) USER MOD Set 1.2: A 94 GLN :FLIP amide:sc= 0.977 F(o=-8.2!,f=1.9) USER MOD Set 2.1: A 66 THR OG1 : rot -58:sc= 0.714 USER MOD Set 2.2: A 121 TYR OH : rot 130:sc= 0.645 USER MOD Single : A 35 MET CE :methyl -165:sc= -0.168 (180deg=-0.627) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 161:sc= -1.84 (180deg=-3.62!) USER MOD Single : A 60 ASN :FLIP amide:sc= -3.01! C(o=-6.3!,f=-3!) USER MOD Single : A 62 ASN : amide:sc= -1.65! C(o=-1.7!,f=-3.6!) USER MOD Single : A 63 TYR OH : rot 150:sc= -1.02 USER MOD Single : A 69 LYS NZ :NH3+ -120:sc= -0.508 (180deg=-1.9) USER MOD Single : A 77 GLN :FLIP amide:sc= -4.15! C(o=-6.4!,f=-4.1!) USER MOD Single : A 78 MET CE :methyl 172:sc= -3.53! (180deg=-4!) USER MOD Single : A 80 ASN : amide:sc= 0.167 X(o=0.17,f=0.014) USER MOD Single : A 82 GLN : amide:sc= -0.844 X(o=-0.84,f=-0.45) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -116:sc= -1.26 (180deg=-2.14) USER MOD Single : A 93 SER OG : rot 106:sc= 1.05 USER MOD Single : A 97 ASN : amide:sc= -6.16! C(o=-6.2!,f=-11!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.043) USER MOD Single : A 108 SER OG : rot 180:sc= 0.444 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 165:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -132:sc= -0.568 (180deg=-2.98!) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.846 F(o=-3.1!,f=-0.85) USER MOD Single : A 126 TYR OH : rot 30:sc= 0.00893 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 NAG O3 : rot 17:sc= 0.644 USER MOD Single : A 135 NAG O4 : rot 150:sc= 0 USER MOD Single : A 135 NAG O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -2.655 -5.840 9.776 1.00 0.00 N ATOM 2 CA GLY A 29 -2.026 -7.159 9.502 1.00 0.00 C ATOM 3 C GLY A 29 -0.699 -6.946 8.785 1.00 0.00 C ATOM 4 O GLY A 29 -0.628 -7.004 7.558 1.00 0.00 O ATOM 0 HA2 GLY A 29 -1.865 -7.699 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.689 -7.771 8.890 1.00 0.00 H new ATOM 10 N LEU A 30 0.356 -6.707 9.557 1.00 0.00 N ATOM 11 CA LEU A 30 1.674 -6.498 8.973 1.00 0.00 C ATOM 12 C LEU A 30 1.929 -7.529 7.877 1.00 0.00 C ATOM 13 O LEU A 30 2.319 -7.178 6.762 1.00 0.00 O ATOM 14 CB LEU A 30 2.751 -6.620 10.053 1.00 0.00 C ATOM 15 CG LEU A 30 3.387 -5.253 10.304 1.00 0.00 C ATOM 16 CD1 LEU A 30 2.314 -4.272 10.779 1.00 0.00 C ATOM 17 CD2 LEU A 30 4.465 -5.388 11.385 1.00 0.00 C ATOM 0 H LEU A 30 0.325 -6.654 10.575 1.00 0.00 H new ATOM 0 HA LEU A 30 1.712 -5.498 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.313 -7.003 10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.513 -7.334 9.741 1.00 0.00 H new ATOM 0 HG LEU A 30 3.836 -4.884 9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.766 -3.297 10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.542 -4.179 10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.868 -4.640 11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.921 -4.415 11.567 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.012 -5.755 12.306 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.229 -6.090 11.051 1.00 0.00 H new ATOM 29 N PRO A 31 1.711 -8.787 8.170 1.00 0.00 N ATOM 30 CA PRO A 31 1.914 -9.888 7.184 1.00 0.00 C ATOM 31 C PRO A 31 1.280 -9.578 5.831 1.00 0.00 C ATOM 32 O PRO A 31 0.140 -9.120 5.754 1.00 0.00 O ATOM 33 CB PRO A 31 1.234 -11.092 7.838 1.00 0.00 C ATOM 34 CG PRO A 31 1.269 -10.818 9.304 1.00 0.00 C ATOM 35 CD PRO A 31 1.256 -9.298 9.474 1.00 0.00 C ATOM 0 HA PRO A 31 2.970 -10.051 6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.209 -11.205 7.484 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.758 -12.017 7.599 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.411 -11.269 9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.162 -11.249 9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.259 -8.933 9.719 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.919 -8.981 10.280 1.00 0.00 H new ATOM 43 N PHE A 32 2.032 -9.837 4.767 1.00 0.00 N ATOM 44 CA PHE A 32 1.549 -9.593 3.414 1.00 0.00 C ATOM 45 C PHE A 32 0.737 -10.784 2.916 1.00 0.00 C ATOM 46 O PHE A 32 0.268 -10.792 1.779 1.00 0.00 O ATOM 47 CB PHE A 32 2.732 -9.375 2.474 1.00 0.00 C ATOM 48 CG PHE A 32 3.923 -8.878 3.259 1.00 0.00 C ATOM 49 CD1 PHE A 32 4.790 -9.793 3.866 1.00 0.00 C ATOM 50 CD2 PHE A 32 4.163 -7.503 3.375 1.00 0.00 C ATOM 51 CE1 PHE A 32 5.897 -9.336 4.590 1.00 0.00 C ATOM 52 CE2 PHE A 32 5.271 -7.047 4.099 1.00 0.00 C ATOM 53 CZ PHE A 32 6.138 -7.961 4.706 1.00 0.00 C ATOM 0 H PHE A 32 2.978 -10.216 4.816 1.00 0.00 H new ATOM 0 HA PHE A 32 0.917 -8.705 3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.982 -10.307 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.467 -8.653 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.605 -10.853 3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.494 -6.796 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.565 -10.043 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.457 -5.987 4.189 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.993 -7.607 5.264 1.00 0.00 H new ATOM 63 N GLY A 33 0.601 -11.799 3.763 1.00 0.00 N ATOM 64 CA GLY A 33 -0.129 -13.000 3.383 1.00 0.00 C ATOM 65 C GLY A 33 0.628 -13.745 2.290 1.00 0.00 C ATOM 66 O GLY A 33 1.148 -14.839 2.512 1.00 0.00 O ATOM 0 H GLY A 33 0.983 -11.813 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.260 -13.646 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.125 -12.734 3.030 1.00 0.00 H new ATOM 70 N LEU A 34 0.703 -13.133 1.114 1.00 0.00 N ATOM 71 CA LEU A 34 1.416 -13.734 -0.007 1.00 0.00 C ATOM 72 C LEU A 34 1.793 -12.667 -1.026 1.00 0.00 C ATOM 73 O LEU A 34 1.501 -12.797 -2.214 1.00 0.00 O ATOM 74 CB LEU A 34 0.552 -14.794 -0.685 1.00 0.00 C ATOM 75 CG LEU A 34 1.439 -15.650 -1.587 1.00 0.00 C ATOM 76 CD1 LEU A 34 2.271 -16.606 -0.727 1.00 0.00 C ATOM 77 CD2 LEU A 34 0.566 -16.453 -2.549 1.00 0.00 C ATOM 0 H LEU A 34 0.282 -12.226 0.912 1.00 0.00 H new ATOM 0 HA LEU A 34 2.321 -14.203 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.062 -15.417 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.236 -14.320 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 34 2.106 -15.005 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.904 -17.217 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.896 -16.031 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.606 -17.252 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.200 -17.063 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.103 -17.099 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.023 -15.771 -3.162 1.00 0.00 H new ATOM 89 N MET A 35 2.435 -11.607 -0.551 1.00 0.00 N ATOM 90 CA MET A 35 2.835 -10.520 -1.432 1.00 0.00 C ATOM 91 C MET A 35 1.629 -10.010 -2.204 1.00 0.00 C ATOM 92 O MET A 35 0.562 -10.622 -2.185 1.00 0.00 O ATOM 93 CB MET A 35 3.903 -11.001 -2.419 1.00 0.00 C ATOM 94 CG MET A 35 5.108 -11.523 -1.644 1.00 0.00 C ATOM 95 SD MET A 35 6.571 -11.535 -2.711 1.00 0.00 S ATOM 96 CE MET A 35 5.941 -12.672 -3.970 1.00 0.00 C ATOM 0 H MET A 35 2.687 -11.478 0.429 1.00 0.00 H new ATOM 0 HA MET A 35 3.247 -9.714 -0.825 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.498 -11.787 -3.056 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.204 -10.183 -3.074 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.289 -10.896 -0.771 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.907 -12.529 -1.277 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.768 -13.030 -4.584 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.456 -13.519 -3.485 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.219 -12.153 -4.601 1.00 0.00 H new ATOM 106 N ARG A 36 1.813 -8.902 -2.903 1.00 0.00 N ATOM 107 CA ARG A 36 0.745 -8.333 -3.702 1.00 0.00 C ATOM 108 C ARG A 36 0.873 -8.835 -5.129 1.00 0.00 C ATOM 109 O ARG A 36 1.981 -9.092 -5.601 1.00 0.00 O ATOM 110 CB ARG A 36 0.825 -6.813 -3.660 1.00 0.00 C ATOM 111 CG ARG A 36 0.522 -6.344 -2.239 1.00 0.00 C ATOM 112 CD ARG A 36 0.721 -4.837 -2.157 1.00 0.00 C ATOM 113 NE ARG A 36 -0.367 -4.146 -2.841 1.00 0.00 N ATOM 114 CZ ARG A 36 -1.593 -4.123 -2.328 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.831 -4.713 -1.189 1.00 0.00 N ATOM 116 NH2 ARG A 36 -2.557 -3.511 -2.962 1.00 0.00 N ATOM 0 H ARG A 36 2.690 -8.381 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.222 -8.638 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.817 -6.479 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.113 -6.378 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.501 -6.603 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.177 -6.849 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.761 -4.525 -1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.675 -4.564 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.184 -3.673 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.077 -5.190 -0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.771 -4.697 -0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.370 -3.050 -3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.497 -3.494 -2.567 1.00 0.00 H new ATOM 130 N ARG A 37 -0.244 -8.986 -5.822 1.00 0.00 N ATOM 131 CA ARG A 37 -0.187 -9.470 -7.189 1.00 0.00 C ATOM 132 C ARG A 37 -1.367 -8.985 -8.021 1.00 0.00 C ATOM 133 O ARG A 37 -2.500 -8.911 -7.544 1.00 0.00 O ATOM 134 CB ARG A 37 -0.159 -11.000 -7.197 1.00 0.00 C ATOM 135 CG ARG A 37 -0.229 -11.506 -8.641 1.00 0.00 C ATOM 136 CD ARG A 37 -0.268 -13.032 -8.645 1.00 0.00 C ATOM 137 NE ARG A 37 -1.546 -13.491 -8.111 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.036 -14.682 -8.434 1.00 0.00 C ATOM 139 NH1 ARG A 37 -1.379 -15.464 -9.243 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.178 -15.073 -7.938 1.00 0.00 N ATOM 0 H ARG A 37 -1.180 -8.786 -5.470 1.00 0.00 H new ATOM 0 HA ARG A 37 0.724 -9.072 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.752 -11.360 -6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.998 -11.392 -6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.116 -11.108 -9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.635 -11.152 -9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.131 -13.407 -9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.551 -13.428 -8.045 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.072 -12.887 -7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.485 -15.162 -9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.759 -16.378 -9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.693 -14.464 -7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.555 -15.988 -8.186 1.00 0.00 H new ATOM 154 N GLU A 38 -1.075 -8.690 -9.280 1.00 0.00 N ATOM 155 CA GLU A 38 -2.092 -8.248 -10.221 1.00 0.00 C ATOM 156 C GLU A 38 -1.942 -8.996 -11.536 1.00 0.00 C ATOM 157 O GLU A 38 -0.840 -9.388 -11.923 1.00 0.00 O ATOM 158 CB GLU A 38 -1.990 -6.748 -10.498 1.00 0.00 C ATOM 159 CG GLU A 38 -2.449 -5.945 -9.281 1.00 0.00 C ATOM 160 CD GLU A 38 -2.743 -4.510 -9.702 1.00 0.00 C ATOM 161 OE1 GLU A 38 -3.072 -4.314 -10.861 1.00 0.00 O ATOM 162 OE2 GLU A 38 -2.629 -3.631 -8.866 1.00 0.00 O ATOM 0 H GLU A 38 -0.136 -8.750 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.063 -8.456 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.961 -6.487 -10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.601 -6.490 -11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.341 -6.398 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.678 -5.959 -8.511 1.00 0.00 H new ATOM 169 N LEU A 39 -3.058 -9.185 -12.217 1.00 0.00 N ATOM 170 CA LEU A 39 -3.053 -9.879 -13.490 1.00 0.00 C ATOM 171 C LEU A 39 -4.036 -9.199 -14.437 1.00 0.00 C ATOM 172 O LEU A 39 -5.160 -8.886 -14.046 1.00 0.00 O ATOM 173 CB LEU A 39 -3.444 -11.343 -13.277 1.00 0.00 C ATOM 174 CG LEU A 39 -3.072 -12.175 -14.505 1.00 0.00 C ATOM 175 CD1 LEU A 39 -2.963 -13.645 -14.097 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.157 -12.038 -15.574 1.00 0.00 C ATOM 0 H LEU A 39 -3.977 -8.868 -11.910 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.055 -9.843 -13.927 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.938 -11.737 -12.395 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.515 -11.417 -13.090 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.121 -11.822 -14.905 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.698 -14.245 -14.967 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.194 -13.754 -13.333 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.920 -13.984 -13.700 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.886 -12.633 -16.446 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.108 -12.391 -15.175 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.252 -10.992 -15.864 1.00 0.00 H new ATOM 188 N ALA A 40 -3.623 -8.970 -15.679 1.00 0.00 N ATOM 189 CA ALA A 40 -4.508 -8.325 -16.641 1.00 0.00 C ATOM 190 C ALA A 40 -4.491 -9.068 -17.971 1.00 0.00 C ATOM 191 O ALA A 40 -3.462 -9.600 -18.390 1.00 0.00 O ATOM 192 CB ALA A 40 -4.086 -6.869 -16.857 1.00 0.00 C ATOM 0 H ALA A 40 -2.700 -9.216 -16.038 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.521 -8.348 -16.240 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.755 -6.399 -17.578 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.137 -6.331 -15.910 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.065 -6.839 -17.237 1.00 0.00 H new ATOM 198 N CYS A 41 -5.654 -9.118 -18.613 1.00 0.00 N ATOM 199 CA CYS A 41 -5.796 -9.814 -19.882 1.00 0.00 C ATOM 200 C CYS A 41 -5.013 -9.106 -20.983 1.00 0.00 C ATOM 201 O CYS A 41 -4.986 -7.878 -21.058 1.00 0.00 O ATOM 202 CB CYS A 41 -7.278 -9.885 -20.255 1.00 0.00 C ATOM 203 SG CYS A 41 -8.213 -10.542 -18.851 1.00 0.00 S ATOM 0 H CYS A 41 -6.512 -8.683 -18.273 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.394 -10.822 -19.777 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.646 -8.894 -20.521 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.415 -10.522 -21.129 1.00 0.00 H new ATOM 208 N GLU A 42 -4.362 -9.900 -21.821 1.00 0.00 N ATOM 209 CA GLU A 42 -3.560 -9.366 -22.914 1.00 0.00 C ATOM 210 C GLU A 42 -4.291 -8.256 -23.656 1.00 0.00 C ATOM 211 O GLU A 42 -5.455 -8.401 -24.029 1.00 0.00 O ATOM 212 CB GLU A 42 -3.227 -10.488 -23.898 1.00 0.00 C ATOM 213 CG GLU A 42 -2.327 -9.961 -25.015 1.00 0.00 C ATOM 214 CD GLU A 42 -2.139 -11.041 -26.077 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.621 -12.142 -25.865 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.515 -10.753 -27.086 1.00 0.00 O ATOM 0 H GLU A 42 -4.373 -10.918 -21.765 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.648 -8.950 -22.487 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.729 -11.304 -23.375 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.145 -10.894 -24.322 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.769 -9.071 -25.462 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.360 -9.666 -24.607 1.00 0.00 H new ATOM 223 N GLY A 43 -3.581 -7.162 -23.895 1.00 0.00 N ATOM 224 CA GLY A 43 -4.144 -6.040 -24.627 1.00 0.00 C ATOM 225 C GLY A 43 -4.716 -4.956 -23.723 1.00 0.00 C ATOM 226 O GLY A 43 -4.960 -3.843 -24.191 1.00 0.00 O ATOM 0 H GLY A 43 -2.616 -7.029 -23.593 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.371 -5.604 -25.261 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.930 -6.404 -25.288 1.00 0.00 H new ATOM 230 N TYR A 44 -4.934 -5.241 -22.441 1.00 0.00 N ATOM 231 CA TYR A 44 -5.479 -4.223 -21.549 1.00 0.00 C ATOM 232 C TYR A 44 -4.413 -3.731 -20.577 1.00 0.00 C ATOM 233 O TYR A 44 -3.512 -4.478 -20.196 1.00 0.00 O ATOM 234 CB TYR A 44 -6.658 -4.799 -20.762 1.00 0.00 C ATOM 235 CG TYR A 44 -7.849 -4.931 -21.673 1.00 0.00 C ATOM 236 CD1 TYR A 44 -8.562 -3.788 -22.059 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.240 -6.191 -22.139 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.665 -3.907 -22.912 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.344 -6.310 -22.994 1.00 0.00 C ATOM 240 CZ TYR A 44 -10.055 -5.169 -23.380 1.00 0.00 C ATOM 241 OH TYR A 44 -11.143 -5.287 -24.223 1.00 0.00 O ATOM 0 H TYR A 44 -4.747 -6.144 -22.006 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.817 -3.382 -22.154 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.393 -5.772 -20.348 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.900 -4.150 -19.920 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.260 -2.816 -21.698 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.691 -7.072 -21.840 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.215 -3.027 -23.209 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.646 -7.282 -23.355 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.277 -6.230 -24.454 1.00 0.00 H new ATOM 251 N PRO A 45 -4.501 -2.497 -20.168 1.00 0.00 N ATOM 252 CA PRO A 45 -3.528 -1.903 -19.212 1.00 0.00 C ATOM 253 C PRO A 45 -3.624 -2.505 -17.817 1.00 0.00 C ATOM 254 O PRO A 45 -4.696 -2.911 -17.372 1.00 0.00 O ATOM 255 CB PRO A 45 -3.884 -0.415 -19.188 1.00 0.00 C ATOM 256 CG PRO A 45 -5.294 -0.324 -19.673 1.00 0.00 C ATOM 257 CD PRO A 45 -5.533 -1.534 -20.578 1.00 0.00 C ATOM 0 HA PRO A 45 -2.502 -2.095 -19.525 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.790 -0.007 -18.182 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.213 0.158 -19.828 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.991 -0.325 -18.835 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.455 0.605 -20.220 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.535 -1.941 -20.443 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.436 -1.270 -21.631 1.00 0.00 H new ATOM 265 N ILE A 46 -2.489 -2.533 -17.125 1.00 0.00 N ATOM 266 CA ILE A 46 -2.438 -3.058 -15.769 1.00 0.00 C ATOM 267 C ILE A 46 -1.925 -1.959 -14.846 1.00 0.00 C ATOM 268 O ILE A 46 -1.089 -1.149 -15.241 1.00 0.00 O ATOM 269 CB ILE A 46 -1.524 -4.283 -15.704 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.604 -4.915 -14.311 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.082 -3.864 -15.989 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.785 -6.209 -14.293 1.00 0.00 C ATOM 0 H ILE A 46 -1.594 -2.198 -17.482 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.434 -3.369 -15.454 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.846 -5.009 -16.450 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.224 -4.220 -13.562 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.642 -5.125 -14.054 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.567 -4.738 -15.942 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.022 -3.420 -16.983 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.238 -3.134 -15.246 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.840 -6.661 -13.303 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.186 -6.903 -15.032 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.255 -5.985 -14.532 1.00 0.00 H new ATOM 284 N GLU A 47 -2.459 -1.912 -13.638 1.00 0.00 N ATOM 285 CA GLU A 47 -2.072 -0.870 -12.693 1.00 0.00 C ATOM 286 C GLU A 47 -1.689 -1.439 -11.339 1.00 0.00 C ATOM 287 O GLU A 47 -2.447 -2.191 -10.724 1.00 0.00 O ATOM 288 CB GLU A 47 -3.222 0.122 -12.520 1.00 0.00 C ATOM 289 CG GLU A 47 -2.826 1.201 -11.513 1.00 0.00 C ATOM 290 CD GLU A 47 -4.003 2.141 -11.278 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.126 1.666 -11.299 1.00 0.00 O ATOM 292 OE2 GLU A 47 -3.766 3.322 -11.092 1.00 0.00 O ATOM 0 H GLU A 47 -3.153 -2.572 -13.288 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.196 -0.366 -13.102 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.468 0.579 -13.479 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.116 -0.399 -12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.522 0.741 -10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.969 1.762 -11.885 1.00 0.00 H new ATOM 299 N LEU A 48 -0.518 -1.039 -10.869 1.00 0.00 N ATOM 300 CA LEU A 48 -0.036 -1.469 -9.572 1.00 0.00 C ATOM 301 C LEU A 48 0.019 -0.268 -8.643 1.00 0.00 C ATOM 302 O LEU A 48 0.379 0.831 -9.067 1.00 0.00 O ATOM 303 CB LEU A 48 1.355 -2.087 -9.708 1.00 0.00 C ATOM 304 CG LEU A 48 1.341 -3.095 -10.848 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.733 -3.706 -11.011 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.334 -4.197 -10.527 1.00 0.00 C ATOM 0 H LEU A 48 0.115 -0.416 -11.370 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.711 -2.220 -9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.095 -1.310 -9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.642 -2.576 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 48 1.058 -2.596 -11.775 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.720 -4.427 -11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.452 -2.918 -11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.020 -4.209 -10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.318 -4.923 -11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.622 -4.695 -9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.658 -3.761 -10.411 1.00 0.00 H new ATOM 318 N ARG A 49 -0.326 -0.467 -7.384 1.00 0.00 N ATOM 319 CA ARG A 49 -0.292 0.631 -6.431 1.00 0.00 C ATOM 320 C ARG A 49 0.080 0.124 -5.043 1.00 0.00 C ATOM 321 O ARG A 49 -0.554 -0.791 -4.517 1.00 0.00 O ATOM 322 CB ARG A 49 -1.658 1.332 -6.354 1.00 0.00 C ATOM 323 CG ARG A 49 -1.993 2.013 -7.687 1.00 0.00 C ATOM 324 CD ARG A 49 -3.218 2.918 -7.507 1.00 0.00 C ATOM 325 NE ARG A 49 -3.601 3.532 -8.781 1.00 0.00 N ATOM 326 CZ ARG A 49 -4.276 4.682 -8.821 1.00 0.00 C ATOM 327 NH1 ARG A 49 -4.597 5.292 -7.713 1.00 0.00 N ATOM 328 NH2 ARG A 49 -4.616 5.207 -9.969 1.00 0.00 N ATOM 0 H ARG A 49 -0.628 -1.362 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 49 0.459 1.342 -6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.432 0.605 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.648 2.072 -5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.142 2.600 -8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.192 1.262 -8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.051 2.336 -7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.998 3.695 -6.775 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.347 3.071 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.332 4.890 -6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.113 6.171 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.365 4.737 -10.839 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.132 6.086 -9.995 1.00 0.00 H new ATOM 342 N CYS A 50 1.090 0.744 -4.439 1.00 0.00 N ATOM 343 CA CYS A 50 1.510 0.366 -3.100 1.00 0.00 C ATOM 344 C CYS A 50 0.860 1.296 -2.082 1.00 0.00 C ATOM 345 O CYS A 50 0.715 2.492 -2.330 1.00 0.00 O ATOM 346 CB CYS A 50 3.034 0.433 -2.968 1.00 0.00 C ATOM 347 SG CYS A 50 3.765 -1.142 -3.487 1.00 0.00 S ATOM 0 H CYS A 50 1.627 1.505 -4.855 1.00 0.00 H new ATOM 0 HA CYS A 50 1.196 -0.661 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.426 1.245 -3.580 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.310 0.650 -1.936 1.00 0.00 H new ATOM 352 N PRO A 51 0.456 0.772 -0.958 1.00 0.00 N ATOM 353 CA PRO A 51 -0.212 1.573 0.107 1.00 0.00 C ATOM 354 C PRO A 51 0.757 2.507 0.820 1.00 0.00 C ATOM 355 O PRO A 51 1.973 2.336 0.735 1.00 0.00 O ATOM 356 CB PRO A 51 -0.767 0.517 1.063 1.00 0.00 C ATOM 357 CG PRO A 51 0.095 -0.687 0.870 1.00 0.00 C ATOM 358 CD PRO A 51 0.599 -0.642 -0.573 1.00 0.00 C ATOM 0 HA PRO A 51 -0.982 2.230 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.731 0.864 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.810 0.293 0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.929 -0.682 1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.470 -1.601 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.635 -0.972 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.012 -1.293 -1.221 1.00 0.00 H new ATOM 366 N GLY A 52 0.213 3.484 1.538 1.00 0.00 N ATOM 367 CA GLY A 52 1.042 4.422 2.275 1.00 0.00 C ATOM 368 C GLY A 52 2.142 4.999 1.392 1.00 0.00 C ATOM 369 O GLY A 52 1.919 5.322 0.224 1.00 0.00 O ATOM 0 H GLY A 52 -0.791 3.644 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.423 5.230 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.488 3.920 3.134 1.00 0.00 H new ATOM 373 N SER A 53 3.335 5.114 1.967 1.00 0.00 N ATOM 374 CA SER A 53 4.488 5.640 1.243 1.00 0.00 C ATOM 375 C SER A 53 5.412 4.511 0.807 1.00 0.00 C ATOM 376 O SER A 53 6.605 4.726 0.574 1.00 0.00 O ATOM 377 CB SER A 53 5.259 6.631 2.115 1.00 0.00 C ATOM 378 OG SER A 53 5.614 6.009 3.344 1.00 0.00 O ATOM 0 H SER A 53 3.529 4.850 2.933 1.00 0.00 H new ATOM 0 HA SER A 53 4.122 6.156 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.155 6.968 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.649 7.514 2.305 1.00 0.00 H new ATOM 0 HG SER A 53 6.110 6.645 3.901 1.00 0.00 H new ATOM 384 N ASP A 54 4.861 3.310 0.697 1.00 0.00 N ATOM 385 CA ASP A 54 5.650 2.167 0.280 1.00 0.00 C ATOM 386 C ASP A 54 5.833 2.173 -1.236 1.00 0.00 C ATOM 387 O ASP A 54 5.121 2.880 -1.947 1.00 0.00 O ATOM 388 CB ASP A 54 4.976 0.873 0.734 1.00 0.00 C ATOM 389 CG ASP A 54 5.019 0.772 2.256 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.741 1.548 2.861 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.331 -0.080 2.795 1.00 0.00 O ATOM 0 H ASP A 54 3.880 3.106 0.889 1.00 0.00 H new ATOM 0 HA ASP A 54 6.634 2.229 0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.943 0.850 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.480 0.015 0.289 1.00 0.00 H new ATOM 396 N VAL A 55 6.777 1.380 -1.733 1.00 0.00 N ATOM 397 CA VAL A 55 7.013 1.315 -3.171 1.00 0.00 C ATOM 398 C VAL A 55 7.011 -0.125 -3.653 1.00 0.00 C ATOM 399 O VAL A 55 7.373 -1.045 -2.921 1.00 0.00 O ATOM 400 CB VAL A 55 8.343 1.976 -3.533 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.272 3.463 -3.198 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.477 1.331 -2.735 1.00 0.00 C ATOM 0 H VAL A 55 7.383 0.782 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 55 6.204 1.854 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 55 8.534 1.845 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.218 3.939 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.467 3.926 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.080 3.587 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.422 1.806 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.290 1.459 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.528 0.268 -2.970 1.00 0.00 H new ATOM 412 N ILE A 56 6.582 -0.305 -4.892 1.00 0.00 N ATOM 413 CA ILE A 56 6.506 -1.626 -5.488 1.00 0.00 C ATOM 414 C ILE A 56 7.877 -2.220 -5.762 1.00 0.00 C ATOM 415 O ILE A 56 8.758 -1.564 -6.317 1.00 0.00 O ATOM 416 CB ILE A 56 5.743 -1.550 -6.802 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.311 -1.096 -6.525 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.737 -2.929 -7.466 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.602 -0.826 -7.849 1.00 0.00 C ATOM 0 H ILE A 56 6.280 0.452 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 56 5.994 -2.269 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 56 6.224 -0.835 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.777 -1.862 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.315 -0.195 -5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.191 -2.877 -8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.762 -3.245 -7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.254 -3.649 -6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.580 -0.502 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.133 -0.045 -8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.586 -1.738 -8.446 1.00 0.00 H new ATOM 431 N MET A 57 8.024 -3.489 -5.422 1.00 0.00 N ATOM 432 CA MET A 57 9.261 -4.192 -5.691 1.00 0.00 C ATOM 433 C MET A 57 8.925 -5.517 -6.358 1.00 0.00 C ATOM 434 O MET A 57 8.540 -6.491 -5.709 1.00 0.00 O ATOM 435 CB MET A 57 10.077 -4.410 -4.418 1.00 0.00 C ATOM 436 CG MET A 57 9.160 -4.771 -3.254 1.00 0.00 C ATOM 437 SD MET A 57 10.128 -5.637 -1.998 1.00 0.00 S ATOM 438 CE MET A 57 11.547 -4.510 -2.001 1.00 0.00 C ATOM 0 H MET A 57 7.306 -4.048 -4.962 1.00 0.00 H new ATOM 0 HA MET A 57 9.880 -3.588 -6.355 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.804 -5.206 -4.577 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.639 -3.507 -4.180 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.713 -3.871 -2.832 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.341 -5.401 -3.600 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.119 -4.642 -1.082 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.183 -4.728 -2.859 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.194 -3.481 -2.064 1.00 0.00 H new ATOM 448 N VAL A 58 9.044 -5.511 -7.675 1.00 0.00 N ATOM 449 CA VAL A 58 8.733 -6.682 -8.474 1.00 0.00 C ATOM 450 C VAL A 58 9.646 -7.838 -8.110 1.00 0.00 C ATOM 451 O VAL A 58 10.865 -7.741 -8.231 1.00 0.00 O ATOM 452 CB VAL A 58 8.892 -6.362 -9.960 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.499 -7.586 -10.794 1.00 0.00 C ATOM 454 CG2 VAL A 58 7.989 -5.185 -10.330 1.00 0.00 C ATOM 0 H VAL A 58 9.355 -4.703 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 58 7.701 -6.967 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 58 9.931 -6.102 -10.163 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.613 -7.356 -11.853 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.143 -8.426 -10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.461 -7.848 -10.589 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.103 -4.958 -11.390 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.950 -5.445 -10.124 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.269 -4.312 -9.740 1.00 0.00 H new ATOM 464 N GLU A 59 9.048 -8.947 -7.700 1.00 0.00 N ATOM 465 CA GLU A 59 9.831 -10.118 -7.366 1.00 0.00 C ATOM 466 C GLU A 59 9.764 -11.073 -8.547 1.00 0.00 C ATOM 467 O GLU A 59 10.782 -11.610 -8.981 1.00 0.00 O ATOM 468 CB GLU A 59 9.312 -10.780 -6.083 1.00 0.00 C ATOM 469 CG GLU A 59 9.477 -9.812 -4.902 1.00 0.00 C ATOM 470 CD GLU A 59 10.930 -9.354 -4.787 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.797 -10.067 -5.262 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.152 -8.292 -4.227 1.00 0.00 O ATOM 0 H GLU A 59 8.040 -9.057 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 59 10.866 -9.837 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.263 -11.051 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.860 -11.702 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.827 -8.948 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.169 -10.300 -3.978 1.00 0.00 H new ATOM 479 N ASN A 60 8.558 -11.279 -9.071 1.00 0.00 N ATOM 480 CA ASN A 60 8.382 -12.169 -10.211 1.00 0.00 C ATOM 481 C ASN A 60 7.206 -11.713 -11.071 1.00 0.00 C ATOM 482 O ASN A 60 6.202 -11.214 -10.563 1.00 0.00 O ATOM 483 CB ASN A 60 8.138 -13.594 -9.719 1.00 0.00 C ATOM 484 CG ASN A 60 8.963 -13.857 -8.466 1.00 0.00 C ATOM 485 OD1 ASN A 60 8.633 -13.272 -7.349 1.00 0.00 O flip ATOM 486 ND2 ASN A 60 9.938 -14.609 -8.507 1.00 0.00 N flip ATOM 0 H ASN A 60 7.700 -10.847 -8.729 1.00 0.00 H new ATOM 0 HA ASN A 60 9.288 -12.143 -10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.079 -13.738 -9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.406 -14.308 -10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.194 -15.065 -9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.490 -14.775 -7.665 1.00 0.00 H new ATOM 493 N ALA A 61 7.348 -11.881 -12.381 1.00 0.00 N ATOM 494 CA ALA A 61 6.308 -11.480 -13.320 1.00 0.00 C ATOM 495 C ALA A 61 6.583 -12.086 -14.691 1.00 0.00 C ATOM 496 O ALA A 61 7.740 -12.272 -15.071 1.00 0.00 O ATOM 497 CB ALA A 61 6.278 -9.954 -13.435 1.00 0.00 C ATOM 0 H ALA A 61 8.174 -12.292 -12.817 1.00 0.00 H new ATOM 0 HA ALA A 61 5.345 -11.837 -12.956 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.499 -9.657 -14.138 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.069 -9.519 -12.457 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.244 -9.597 -13.792 1.00 0.00 H new ATOM 503 N ASN A 62 5.523 -12.402 -15.432 1.00 0.00 N ATOM 504 CA ASN A 62 5.689 -12.993 -16.754 1.00 0.00 C ATOM 505 C ASN A 62 4.541 -12.612 -17.687 1.00 0.00 C ATOM 506 O ASN A 62 3.433 -12.312 -17.239 1.00 0.00 O ATOM 507 CB ASN A 62 5.748 -14.516 -16.636 1.00 0.00 C ATOM 508 CG ASN A 62 6.240 -15.119 -17.946 1.00 0.00 C ATOM 509 OD1 ASN A 62 7.405 -14.953 -18.309 1.00 0.00 O ATOM 510 ND2 ASN A 62 5.415 -15.811 -18.683 1.00 0.00 N ATOM 0 H ASN A 62 4.555 -12.261 -15.144 1.00 0.00 H new ATOM 0 HA ASN A 62 6.619 -12.609 -17.174 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.414 -14.801 -15.822 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.761 -14.909 -16.393 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.734 -16.216 -19.563 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.451 -15.947 -18.379 1.00 0.00 H new ATOM 517 N TYR A 63 4.809 -12.654 -18.991 1.00 0.00 N ATOM 518 CA TYR A 63 3.798 -12.341 -19.995 1.00 0.00 C ATOM 519 C TYR A 63 3.613 -13.545 -20.903 1.00 0.00 C ATOM 520 O TYR A 63 4.562 -14.008 -21.534 1.00 0.00 O ATOM 521 CB TYR A 63 4.246 -11.133 -20.819 1.00 0.00 C ATOM 522 CG TYR A 63 3.301 -10.886 -21.978 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.085 -10.230 -21.766 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.661 -11.295 -23.268 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.226 -9.982 -22.844 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.799 -11.048 -24.346 1.00 0.00 C ATOM 527 CZ TYR A 63 1.583 -10.391 -24.133 1.00 0.00 C ATOM 528 OH TYR A 63 0.736 -10.144 -25.196 1.00 0.00 O ATOM 0 H TYR A 63 5.720 -12.902 -19.376 1.00 0.00 H new ATOM 0 HA TYR A 63 2.854 -12.104 -19.505 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.286 -10.249 -20.183 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.255 -11.300 -21.197 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.808 -9.914 -20.771 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.601 -11.800 -23.432 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.287 -9.474 -22.680 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.074 -11.365 -25.341 1.00 0.00 H new ATOM 0 HH TYR A 63 1.263 -10.031 -26.015 1.00 0.00 H new ATOM 538 N GLY A 64 2.396 -14.066 -20.948 1.00 0.00 N ATOM 539 CA GLY A 64 2.136 -15.238 -21.768 1.00 0.00 C ATOM 540 C GLY A 64 0.845 -15.918 -21.339 1.00 0.00 C ATOM 541 O GLY A 64 -0.145 -15.258 -21.024 1.00 0.00 O ATOM 0 H GLY A 64 1.589 -13.705 -20.438 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.069 -14.947 -22.816 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.967 -15.938 -21.684 1.00 0.00 H new ATOM 545 N ARG A 65 0.881 -17.248 -21.328 1.00 0.00 N ATOM 546 CA ARG A 65 -0.279 -18.037 -20.935 1.00 0.00 C ATOM 547 C ARG A 65 0.168 -19.401 -20.430 1.00 0.00 C ATOM 548 O ARG A 65 0.712 -20.207 -21.182 1.00 0.00 O ATOM 549 CB ARG A 65 -1.241 -18.205 -22.113 1.00 0.00 C ATOM 550 CG ARG A 65 -2.323 -19.223 -21.743 1.00 0.00 C ATOM 551 CD ARG A 65 -3.582 -18.967 -22.574 1.00 0.00 C ATOM 552 NE ARG A 65 -4.532 -18.158 -21.817 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.577 -17.598 -22.415 1.00 0.00 C ATOM 554 NH1 ARG A 65 -5.748 -17.758 -23.696 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.434 -16.896 -21.723 1.00 0.00 N ATOM 0 H ARG A 65 1.699 -17.799 -21.586 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.800 -17.512 -20.135 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.697 -17.247 -22.364 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.697 -18.540 -22.996 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.959 -20.235 -21.920 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.556 -19.150 -20.681 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.317 -18.458 -23.501 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.042 -19.915 -22.852 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.391 -18.021 -20.816 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.081 -18.311 -24.234 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.549 -17.330 -24.161 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.302 -16.776 -20.719 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.235 -16.468 -22.187 1.00 0.00 H new ATOM 569 N THR A 66 -0.075 -19.647 -19.149 1.00 0.00 N ATOM 570 CA THR A 66 0.299 -20.914 -18.538 1.00 0.00 C ATOM 571 C THR A 66 -0.910 -21.534 -17.843 1.00 0.00 C ATOM 572 O THR A 66 -0.795 -22.540 -17.144 1.00 0.00 O ATOM 573 CB THR A 66 1.429 -20.684 -17.534 1.00 0.00 C ATOM 574 OG1 THR A 66 0.923 -19.987 -16.403 1.00 0.00 O ATOM 575 CG2 THR A 66 2.532 -19.854 -18.195 1.00 0.00 C ATOM 0 H THR A 66 -0.528 -18.988 -18.516 1.00 0.00 H new ATOM 0 HA THR A 66 0.645 -21.600 -19.311 1.00 0.00 H new ATOM 0 HB THR A 66 1.836 -21.644 -17.215 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.532 -19.136 -16.691 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.339 -19.688 -17.482 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.919 -20.388 -19.063 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.125 -18.894 -18.512 1.00 0.00 H new ATOM 583 N ASP A 67 -2.071 -20.927 -18.066 1.00 0.00 N ATOM 584 CA ASP A 67 -3.315 -21.409 -17.484 1.00 0.00 C ATOM 585 C ASP A 67 -4.466 -21.096 -18.434 1.00 0.00 C ATOM 586 O ASP A 67 -4.358 -20.194 -19.263 1.00 0.00 O ATOM 587 CB ASP A 67 -3.569 -20.740 -16.131 1.00 0.00 C ATOM 588 CG ASP A 67 -4.617 -21.526 -15.353 1.00 0.00 C ATOM 589 OD1 ASP A 67 -4.822 -22.685 -15.679 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.202 -20.961 -14.446 1.00 0.00 O ATOM 0 H ASP A 67 -2.175 -20.096 -18.649 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.242 -22.486 -17.330 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.642 -20.690 -15.560 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.907 -19.715 -16.280 1.00 0.00 H new ATOM 595 N ASP A 68 -5.568 -21.826 -18.308 1.00 0.00 N ATOM 596 CA ASP A 68 -6.722 -21.582 -19.168 1.00 0.00 C ATOM 597 C ASP A 68 -7.902 -21.075 -18.345 1.00 0.00 C ATOM 598 O ASP A 68 -9.006 -20.920 -18.856 1.00 0.00 O ATOM 599 CB ASP A 68 -7.126 -22.861 -19.907 1.00 0.00 C ATOM 600 CG ASP A 68 -7.713 -23.868 -18.923 1.00 0.00 C ATOM 601 OD1 ASP A 68 -7.415 -23.757 -17.745 1.00 0.00 O ATOM 602 OD2 ASP A 68 -8.445 -24.742 -19.360 1.00 0.00 O ATOM 0 H ASP A 68 -5.688 -22.580 -17.631 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.443 -20.824 -19.899 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.857 -22.628 -20.681 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.258 -23.292 -20.407 1.00 0.00 H new ATOM 607 N LYS A 69 -7.676 -20.842 -17.062 1.00 0.00 N ATOM 608 CA LYS A 69 -8.754 -20.376 -16.203 1.00 0.00 C ATOM 609 C LYS A 69 -8.654 -18.881 -15.925 1.00 0.00 C ATOM 610 O LYS A 69 -9.447 -18.339 -15.156 1.00 0.00 O ATOM 611 CB LYS A 69 -8.737 -21.145 -14.883 1.00 0.00 C ATOM 612 CG LYS A 69 -8.974 -22.628 -15.161 1.00 0.00 C ATOM 613 CD LYS A 69 -9.200 -23.367 -13.840 1.00 0.00 C ATOM 614 CE LYS A 69 -7.923 -23.289 -13.000 1.00 0.00 C ATOM 615 NZ LYS A 69 -7.996 -22.109 -12.091 1.00 0.00 N ATOM 0 H LYS A 69 -6.775 -20.964 -16.599 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.693 -20.557 -16.727 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.780 -21.006 -14.380 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.508 -20.761 -14.215 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.839 -22.753 -15.812 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.117 -23.052 -15.685 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.035 -22.922 -13.298 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.462 -24.408 -14.031 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.802 -24.203 -12.418 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.052 -23.207 -13.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.207 -21.463 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.898 -21.613 -12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.934 -22.428 -11.103 1.00 0.00 H new ATOM 629 N ILE A 70 -7.682 -18.208 -16.532 1.00 0.00 N ATOM 630 CA ILE A 70 -7.516 -16.779 -16.305 1.00 0.00 C ATOM 631 C ILE A 70 -7.835 -15.995 -17.574 1.00 0.00 C ATOM 632 O ILE A 70 -7.409 -16.362 -18.668 1.00 0.00 O ATOM 633 CB ILE A 70 -6.077 -16.504 -15.875 1.00 0.00 C ATOM 634 CG1 ILE A 70 -5.694 -17.490 -14.769 1.00 0.00 C ATOM 635 CG2 ILE A 70 -5.957 -15.068 -15.356 1.00 0.00 C ATOM 636 CD1 ILE A 70 -6.608 -17.294 -13.557 1.00 0.00 C ATOM 0 H ILE A 70 -7.007 -18.622 -17.175 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.203 -16.460 -15.521 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.407 -16.627 -16.726 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.777 -18.513 -15.137 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.654 -17.339 -14.479 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.928 -14.876 -15.050 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.237 -14.371 -16.146 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.620 -14.933 -14.502 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.330 -17.999 -12.774 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.503 -16.276 -13.183 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.643 -17.468 -13.850 1.00 0.00 H new ATOM 648 N CYS A 71 -8.597 -14.919 -17.422 1.00 0.00 N ATOM 649 CA CYS A 71 -8.977 -14.099 -18.569 1.00 0.00 C ATOM 650 C CYS A 71 -9.735 -14.940 -19.589 1.00 0.00 C ATOM 651 O CYS A 71 -9.245 -15.197 -20.688 1.00 0.00 O ATOM 652 CB CYS A 71 -7.735 -13.499 -19.230 1.00 0.00 C ATOM 653 SG CYS A 71 -7.122 -12.124 -18.230 1.00 0.00 S ATOM 0 H CYS A 71 -8.962 -14.595 -16.526 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.620 -13.293 -18.216 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -6.962 -14.260 -19.333 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -7.977 -13.152 -20.235 1.00 0.00 H new ATOM 658 N ASP A 72 -10.928 -15.380 -19.207 1.00 0.00 N ATOM 659 CA ASP A 72 -11.750 -16.210 -20.079 1.00 0.00 C ATOM 660 C ASP A 72 -11.941 -15.579 -21.456 1.00 0.00 C ATOM 661 O ASP A 72 -12.758 -14.675 -21.632 1.00 0.00 O ATOM 662 CB ASP A 72 -13.120 -16.432 -19.436 1.00 0.00 C ATOM 663 CG ASP A 72 -13.877 -15.110 -19.351 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.225 -14.079 -19.319 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.095 -15.148 -19.318 1.00 0.00 O ATOM 0 H ASP A 72 -11.347 -15.176 -18.300 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.232 -17.160 -20.211 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.693 -17.152 -20.021 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.999 -16.856 -18.439 1.00 0.00 H new ATOM 670 N ALA A 73 -11.204 -16.095 -22.434 1.00 0.00 N ATOM 671 CA ALA A 73 -11.309 -15.623 -23.809 1.00 0.00 C ATOM 672 C ALA A 73 -11.815 -16.765 -24.687 1.00 0.00 C ATOM 673 O ALA A 73 -12.304 -17.772 -24.173 1.00 0.00 O ATOM 674 CB ALA A 73 -9.947 -15.144 -24.319 1.00 0.00 C ATOM 0 H ALA A 73 -10.525 -16.844 -22.298 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.005 -14.785 -23.848 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.045 -14.795 -25.347 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.590 -14.327 -23.692 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.234 -15.968 -24.282 1.00 0.00 H new ATOM 680 N ASP A 74 -11.699 -16.619 -26.001 1.00 0.00 N ATOM 681 CA ASP A 74 -12.158 -17.673 -26.897 1.00 0.00 C ATOM 682 C ASP A 74 -11.395 -18.972 -26.609 1.00 0.00 C ATOM 683 O ASP A 74 -10.187 -18.958 -26.342 1.00 0.00 O ATOM 684 CB ASP A 74 -11.977 -17.252 -28.359 1.00 0.00 C ATOM 685 CG ASP A 74 -10.723 -16.399 -28.524 1.00 0.00 C ATOM 686 OD1 ASP A 74 -10.149 -16.018 -27.518 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.357 -16.136 -29.658 1.00 0.00 O ATOM 0 H ASP A 74 -11.301 -15.801 -26.462 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.220 -17.845 -26.724 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.906 -18.137 -28.991 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.850 -16.691 -28.692 1.00 0.00 H new ATOM 692 N PRO A 75 -12.079 -20.088 -26.626 1.00 0.00 N ATOM 693 CA PRO A 75 -11.459 -21.405 -26.313 1.00 0.00 C ATOM 694 C PRO A 75 -10.232 -21.704 -27.163 1.00 0.00 C ATOM 695 O PRO A 75 -9.237 -22.225 -26.659 1.00 0.00 O ATOM 696 CB PRO A 75 -12.560 -22.434 -26.590 1.00 0.00 C ATOM 697 CG PRO A 75 -13.686 -21.703 -27.245 1.00 0.00 C ATOM 698 CD PRO A 75 -13.503 -20.216 -26.952 1.00 0.00 C ATOM 0 HA PRO A 75 -11.102 -21.423 -25.283 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.190 -23.230 -27.236 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.892 -22.903 -25.664 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.686 -21.884 -28.320 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.644 -22.054 -26.862 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.771 -19.604 -27.813 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -14.132 -19.893 -26.123 1.00 0.00 H new ATOM 706 N PHE A 76 -10.302 -21.359 -28.443 1.00 0.00 N ATOM 707 CA PHE A 76 -9.188 -21.609 -29.352 1.00 0.00 C ATOM 708 C PHE A 76 -7.956 -20.842 -28.898 1.00 0.00 C ATOM 709 O PHE A 76 -6.833 -21.331 -29.010 1.00 0.00 O ATOM 710 CB PHE A 76 -9.561 -21.167 -30.771 1.00 0.00 C ATOM 711 CG PHE A 76 -10.780 -21.923 -31.248 1.00 0.00 C ATOM 712 CD1 PHE A 76 -10.637 -23.169 -31.873 1.00 0.00 C ATOM 713 CD2 PHE A 76 -12.056 -21.372 -31.073 1.00 0.00 C ATOM 714 CE1 PHE A 76 -11.768 -23.862 -32.324 1.00 0.00 C ATOM 715 CE2 PHE A 76 -13.186 -22.066 -31.522 1.00 0.00 C ATOM 716 CZ PHE A 76 -13.043 -23.310 -32.147 1.00 0.00 C ATOM 0 H PHE A 76 -11.110 -20.909 -28.873 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.970 -22.677 -29.347 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.759 -20.095 -30.786 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.725 -21.346 -31.447 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.654 -23.596 -32.007 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.168 -20.412 -30.592 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.657 -24.821 -32.808 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.169 -21.641 -31.386 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.916 -23.844 -32.493 1.00 0.00 H new ATOM 726 N GLN A 77 -8.170 -19.635 -28.393 1.00 0.00 N ATOM 727 CA GLN A 77 -7.062 -18.820 -27.933 1.00 0.00 C ATOM 728 C GLN A 77 -6.720 -19.151 -26.485 1.00 0.00 C ATOM 729 O GLN A 77 -5.745 -18.645 -25.934 1.00 0.00 O ATOM 730 CB GLN A 77 -7.409 -17.341 -28.081 1.00 0.00 C ATOM 731 CG GLN A 77 -7.762 -17.062 -29.544 1.00 0.00 C ATOM 732 CD GLN A 77 -7.958 -15.568 -29.756 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.826 -14.753 -28.747 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -8.243 -15.130 -30.871 1.00 0.00 N flip ATOM 0 H GLN A 77 -9.090 -19.205 -28.293 1.00 0.00 H new ATOM 0 HA GLN A 77 -6.186 -19.037 -28.545 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.248 -17.084 -27.434 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.566 -16.723 -27.771 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.968 -17.429 -30.195 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.671 -17.599 -29.816 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.346 -15.769 -31.659 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.376 -14.128 -31.007 1.00 0.00 H new ATOM 743 N MET A 78 -7.525 -20.020 -25.878 1.00 0.00 N ATOM 744 CA MET A 78 -7.293 -20.439 -24.502 1.00 0.00 C ATOM 745 C MET A 78 -6.771 -21.870 -24.453 1.00 0.00 C ATOM 746 O MET A 78 -6.524 -22.410 -23.375 1.00 0.00 O ATOM 747 CB MET A 78 -8.585 -20.353 -23.697 1.00 0.00 C ATOM 748 CG MET A 78 -8.937 -18.887 -23.455 1.00 0.00 C ATOM 749 SD MET A 78 -10.378 -18.785 -22.363 1.00 0.00 S ATOM 750 CE MET A 78 -9.558 -19.302 -20.835 1.00 0.00 C ATOM 0 H MET A 78 -8.341 -20.446 -26.318 1.00 0.00 H new ATOM 0 HA MET A 78 -6.547 -19.771 -24.071 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.394 -20.849 -24.234 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.469 -20.872 -22.746 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.090 -18.368 -23.007 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.149 -18.392 -24.402 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.240 -19.173 -19.994 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.272 -20.351 -20.912 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.667 -18.694 -20.676 1.00 0.00 H new ATOM 760 N GLU A 79 -6.639 -22.489 -25.621 1.00 0.00 N ATOM 761 CA GLU A 79 -6.183 -23.876 -25.683 1.00 0.00 C ATOM 762 C GLU A 79 -4.749 -24.057 -25.175 1.00 0.00 C ATOM 763 O GLU A 79 -4.489 -24.976 -24.398 1.00 0.00 O ATOM 764 CB GLU A 79 -6.266 -24.409 -27.120 1.00 0.00 C ATOM 765 CG GLU A 79 -7.715 -24.731 -27.485 1.00 0.00 C ATOM 766 CD GLU A 79 -7.766 -25.503 -28.801 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.712 -25.740 -29.366 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.858 -25.850 -29.218 1.00 0.00 O ATOM 0 H GLU A 79 -6.837 -22.062 -26.526 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.847 -24.440 -25.028 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.865 -23.669 -27.813 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.652 -25.304 -27.219 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.176 -25.319 -26.691 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.289 -23.809 -27.573 1.00 0.00 H new ATOM 775 N ASN A 80 -3.808 -23.237 -25.630 1.00 0.00 N ATOM 776 CA ASN A 80 -2.410 -23.405 -25.220 1.00 0.00 C ATOM 777 C ASN A 80 -2.113 -22.823 -23.833 1.00 0.00 C ATOM 778 O ASN A 80 -2.261 -21.624 -23.605 1.00 0.00 O ATOM 779 CB ASN A 80 -1.502 -22.729 -26.250 1.00 0.00 C ATOM 780 CG ASN A 80 -0.056 -23.163 -26.039 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.292 -24.315 -26.304 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.808 -22.306 -25.571 1.00 0.00 N ATOM 0 H ASN A 80 -3.978 -22.462 -26.271 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.220 -24.477 -25.165 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.825 -22.990 -27.258 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.581 -21.646 -26.161 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.777 -22.588 -25.423 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.515 -21.354 -25.353 1.00 0.00 H new ATOM 789 N VAL A 81 -1.668 -23.694 -22.921 1.00 0.00 N ATOM 790 CA VAL A 81 -1.318 -23.279 -21.561 1.00 0.00 C ATOM 791 C VAL A 81 0.190 -23.390 -21.346 1.00 0.00 C ATOM 792 O VAL A 81 0.653 -23.652 -20.234 1.00 0.00 O ATOM 793 CB VAL A 81 -2.039 -24.148 -20.528 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.546 -24.139 -20.805 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.507 -25.579 -20.610 1.00 0.00 C ATOM 0 H VAL A 81 -1.542 -24.690 -23.101 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.629 -22.242 -21.434 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.858 -23.750 -19.529 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.055 -24.759 -20.067 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.921 -23.118 -20.742 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.735 -24.534 -21.803 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.019 -26.200 -19.875 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.686 -25.977 -21.609 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.437 -25.582 -20.405 1.00 0.00 H new ATOM 805 N GLN A 82 0.949 -23.186 -22.415 1.00 0.00 N ATOM 806 CA GLN A 82 2.403 -23.264 -22.339 1.00 0.00 C ATOM 807 C GLN A 82 3.031 -22.137 -23.153 1.00 0.00 C ATOM 808 O GLN A 82 3.399 -22.323 -24.313 1.00 0.00 O ATOM 809 CB GLN A 82 2.878 -24.622 -22.862 1.00 0.00 C ATOM 810 CG GLN A 82 2.453 -25.723 -21.883 1.00 0.00 C ATOM 811 CD GLN A 82 3.148 -25.528 -20.539 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.369 -25.382 -20.486 1.00 0.00 O ATOM 813 NE2 GLN A 82 2.441 -25.525 -19.442 1.00 0.00 N ATOM 0 H GLN A 82 0.584 -22.966 -23.342 1.00 0.00 H new ATOM 0 HA GLN A 82 2.712 -23.158 -21.299 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.453 -24.813 -23.848 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.962 -24.621 -22.977 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.372 -25.703 -21.748 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.705 -26.701 -22.293 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.429 -25.646 -19.487 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.900 -25.402 -18.540 1.00 0.00 H new ATOM 822 N CYS A 83 3.148 -20.965 -22.532 1.00 0.00 N ATOM 823 CA CYS A 83 3.728 -19.799 -23.190 1.00 0.00 C ATOM 824 C CYS A 83 4.473 -18.951 -22.158 1.00 0.00 C ATOM 825 O CYS A 83 3.873 -18.508 -21.177 1.00 0.00 O ATOM 826 CB CYS A 83 2.607 -18.976 -23.821 1.00 0.00 C ATOM 827 SG CYS A 83 3.295 -17.503 -24.602 1.00 0.00 S ATOM 0 H CYS A 83 2.848 -20.799 -21.572 1.00 0.00 H new ATOM 0 HA CYS A 83 4.427 -20.118 -23.963 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.075 -19.575 -24.560 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.881 -18.690 -23.060 1.00 0.00 H new ATOM 832 N TYR A 84 5.776 -18.739 -22.366 1.00 0.00 N ATOM 833 CA TYR A 84 6.569 -17.962 -21.411 1.00 0.00 C ATOM 834 C TYR A 84 7.409 -16.876 -22.102 1.00 0.00 C ATOM 835 O TYR A 84 7.781 -17.014 -23.266 1.00 0.00 O ATOM 836 CB TYR A 84 7.503 -18.908 -20.651 1.00 0.00 C ATOM 837 CG TYR A 84 6.690 -19.947 -19.912 1.00 0.00 C ATOM 838 CD1 TYR A 84 6.250 -21.101 -20.575 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.378 -19.755 -18.561 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.497 -22.061 -19.885 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.626 -20.717 -17.872 1.00 0.00 C ATOM 842 CZ TYR A 84 5.186 -21.868 -18.534 1.00 0.00 C ATOM 843 OH TYR A 84 4.446 -22.816 -17.854 1.00 0.00 O ATOM 0 H TYR A 84 6.296 -19.087 -23.172 1.00 0.00 H new ATOM 0 HA TYR A 84 5.878 -17.465 -20.730 1.00 0.00 H new ATOM 0 HB2 TYR A 84 8.187 -19.395 -21.346 1.00 0.00 H new ATOM 0 HB3 TYR A 84 8.114 -18.343 -19.947 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.491 -21.250 -21.617 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.716 -18.866 -18.050 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.157 -22.950 -20.396 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.386 -20.569 -16.829 1.00 0.00 H new ATOM 0 HH TYR A 84 4.320 -22.528 -16.926 1.00 0.00 H new ATOM 853 N LEU A 85 7.723 -15.810 -21.355 1.00 0.00 N ATOM 854 CA LEU A 85 8.546 -14.707 -21.867 1.00 0.00 C ATOM 855 C LEU A 85 9.382 -14.129 -20.719 1.00 0.00 C ATOM 856 O LEU A 85 8.926 -13.250 -19.990 1.00 0.00 O ATOM 857 CB LEU A 85 7.658 -13.611 -22.469 1.00 0.00 C ATOM 858 CG LEU A 85 8.528 -12.447 -22.960 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.349 -12.888 -24.173 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.633 -11.273 -23.366 1.00 0.00 C ATOM 0 H LEU A 85 7.418 -15.688 -20.389 1.00 0.00 H new ATOM 0 HA LEU A 85 9.205 -15.085 -22.649 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.076 -14.016 -23.297 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.947 -13.256 -21.723 1.00 0.00 H new ATOM 0 HG LEU A 85 9.198 -12.142 -22.156 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.965 -12.057 -24.517 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.991 -13.724 -23.894 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.677 -13.198 -24.974 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.253 -10.447 -23.715 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.962 -11.586 -24.166 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.046 -10.949 -22.507 1.00 0.00 H new ATOM 872 N PRO A 86 10.575 -14.636 -20.532 1.00 0.00 N ATOM 873 CA PRO A 86 11.490 -14.202 -19.426 1.00 0.00 C ATOM 874 C PRO A 86 11.663 -12.683 -19.321 1.00 0.00 C ATOM 875 O PRO A 86 11.625 -12.125 -18.221 1.00 0.00 O ATOM 876 CB PRO A 86 12.818 -14.877 -19.782 1.00 0.00 C ATOM 877 CG PRO A 86 12.432 -16.084 -20.567 1.00 0.00 C ATOM 878 CD PRO A 86 11.195 -15.682 -21.362 1.00 0.00 C ATOM 0 HA PRO A 86 11.090 -14.484 -18.452 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.456 -14.213 -20.365 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.376 -15.149 -18.886 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.240 -16.394 -21.230 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.218 -16.927 -19.909 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.458 -15.306 -22.350 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.522 -16.527 -21.511 1.00 0.00 H new ATOM 886 N ASP A 87 11.889 -12.021 -20.451 1.00 0.00 N ATOM 887 CA ASP A 87 12.107 -10.574 -20.454 1.00 0.00 C ATOM 888 C ASP A 87 10.930 -9.823 -19.839 1.00 0.00 C ATOM 889 O ASP A 87 11.065 -8.675 -19.431 1.00 0.00 O ATOM 890 CB ASP A 87 12.318 -10.088 -21.888 1.00 0.00 C ATOM 891 CG ASP A 87 13.630 -10.637 -22.434 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.301 -11.346 -21.704 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.950 -10.334 -23.573 1.00 0.00 O ATOM 0 H ASP A 87 11.926 -12.457 -21.372 1.00 0.00 H new ATOM 0 HA ASP A 87 12.992 -10.372 -19.851 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.489 -10.412 -22.517 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.331 -8.998 -21.914 1.00 0.00 H new ATOM 898 N ALA A 88 9.777 -10.464 -19.785 1.00 0.00 N ATOM 899 CA ALA A 88 8.591 -9.826 -19.225 1.00 0.00 C ATOM 900 C ALA A 88 8.867 -9.297 -17.817 1.00 0.00 C ATOM 901 O ALA A 88 8.399 -8.216 -17.438 1.00 0.00 O ATOM 902 CB ALA A 88 7.455 -10.845 -19.166 1.00 0.00 C ATOM 0 H ALA A 88 9.633 -11.417 -20.118 1.00 0.00 H new ATOM 0 HA ALA A 88 8.314 -8.986 -19.862 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.565 -10.374 -18.748 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.237 -11.205 -20.171 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.751 -11.684 -18.536 1.00 0.00 H new ATOM 908 N PHE A 89 9.634 -10.067 -17.051 1.00 0.00 N ATOM 909 CA PHE A 89 9.983 -9.697 -15.688 1.00 0.00 C ATOM 910 C PHE A 89 10.817 -8.420 -15.616 1.00 0.00 C ATOM 911 O PHE A 89 10.599 -7.574 -14.749 1.00 0.00 O ATOM 912 CB PHE A 89 10.767 -10.841 -15.052 1.00 0.00 C ATOM 913 CG PHE A 89 11.304 -10.382 -13.723 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.445 -10.262 -12.625 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.659 -10.058 -13.594 1.00 0.00 C ATOM 916 CE1 PHE A 89 10.943 -9.820 -11.395 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.157 -9.613 -12.364 1.00 0.00 C ATOM 918 CZ PHE A 89 12.299 -9.494 -11.265 1.00 0.00 C ATOM 0 H PHE A 89 10.027 -10.957 -17.356 1.00 0.00 H new ATOM 0 HA PHE A 89 9.053 -9.507 -15.152 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.124 -11.711 -14.919 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.585 -11.146 -15.704 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.399 -10.510 -12.727 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.320 -10.151 -14.443 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.282 -9.730 -10.546 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.203 -9.362 -12.263 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.683 -9.150 -10.316 1.00 0.00 H new ATOM 928 N LYS A 90 11.788 -8.297 -16.511 1.00 0.00 N ATOM 929 CA LYS A 90 12.658 -7.130 -16.509 1.00 0.00 C ATOM 930 C LYS A 90 11.885 -5.867 -16.878 1.00 0.00 C ATOM 931 O LYS A 90 12.105 -4.808 -16.298 1.00 0.00 O ATOM 932 CB LYS A 90 13.824 -7.332 -17.478 1.00 0.00 C ATOM 933 CG LYS A 90 13.459 -6.790 -18.858 1.00 0.00 C ATOM 934 CD LYS A 90 14.456 -7.320 -19.885 1.00 0.00 C ATOM 935 CE LYS A 90 15.739 -6.494 -19.807 1.00 0.00 C ATOM 936 NZ LYS A 90 15.443 -5.089 -20.201 1.00 0.00 N ATOM 0 H LYS A 90 11.991 -8.982 -17.239 1.00 0.00 H new ATOM 0 HA LYS A 90 13.052 -7.008 -15.500 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.712 -6.823 -17.102 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.069 -8.392 -17.548 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.447 -7.094 -19.125 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.472 -5.700 -18.849 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.673 -8.371 -19.692 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.031 -7.261 -20.887 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.143 -6.523 -18.795 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.498 -6.916 -20.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.282 -4.671 -20.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.648 -5.077 -20.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.192 -4.537 -19.356 1.00 0.00 H new ATOM 950 N ILE A 91 10.992 -5.981 -17.852 1.00 0.00 N ATOM 951 CA ILE A 91 10.215 -4.827 -18.292 1.00 0.00 C ATOM 952 C ILE A 91 9.382 -4.228 -17.161 1.00 0.00 C ATOM 953 O ILE A 91 9.395 -3.016 -16.957 1.00 0.00 O ATOM 954 CB ILE A 91 9.291 -5.226 -19.440 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.128 -5.780 -20.594 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.516 -3.996 -19.918 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.217 -6.093 -21.780 1.00 0.00 C ATOM 0 H ILE A 91 10.788 -6.849 -18.348 1.00 0.00 H new ATOM 0 HA ILE A 91 10.925 -4.070 -18.625 1.00 0.00 H new ATOM 0 HB ILE A 91 8.590 -5.988 -19.099 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.888 -5.055 -20.887 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.653 -6.681 -20.277 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.855 -4.278 -20.738 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.923 -3.597 -19.095 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.217 -3.235 -20.262 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.813 -6.488 -22.603 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.474 -6.833 -21.483 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.713 -5.182 -22.102 1.00 0.00 H new ATOM 969 N MET A 92 8.646 -5.066 -16.440 1.00 0.00 N ATOM 970 CA MET A 92 7.808 -4.566 -15.358 1.00 0.00 C ATOM 971 C MET A 92 8.648 -4.076 -14.190 1.00 0.00 C ATOM 972 O MET A 92 8.313 -3.080 -13.549 1.00 0.00 O ATOM 973 CB MET A 92 6.870 -5.673 -14.891 1.00 0.00 C ATOM 974 CG MET A 92 5.962 -6.078 -16.053 1.00 0.00 C ATOM 975 SD MET A 92 5.052 -4.630 -16.653 1.00 0.00 S ATOM 976 CE MET A 92 4.038 -4.361 -15.181 1.00 0.00 C ATOM 0 H MET A 92 8.612 -6.076 -16.581 1.00 0.00 H new ATOM 0 HA MET A 92 7.229 -3.722 -15.733 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.444 -6.532 -14.545 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.271 -5.329 -14.048 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.557 -6.505 -16.860 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.264 -6.850 -15.729 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.987 -4.507 -15.431 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.328 -5.070 -14.405 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.187 -3.344 -14.818 1.00 0.00 H new ATOM 986 N SER A 93 9.733 -4.779 -13.913 1.00 0.00 N ATOM 987 CA SER A 93 10.600 -4.402 -12.818 1.00 0.00 C ATOM 988 C SER A 93 11.151 -2.993 -13.023 1.00 0.00 C ATOM 989 O SER A 93 11.113 -2.168 -12.120 1.00 0.00 O ATOM 990 CB SER A 93 11.746 -5.406 -12.717 1.00 0.00 C ATOM 991 OG SER A 93 11.206 -6.713 -12.588 1.00 0.00 O ATOM 0 H SER A 93 10.030 -5.607 -14.429 1.00 0.00 H new ATOM 0 HA SER A 93 10.025 -4.407 -11.892 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.378 -5.346 -13.603 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.376 -5.173 -11.859 1.00 0.00 H new ATOM 0 HG SER A 93 11.315 -7.197 -13.433 1.00 0.00 H new ATOM 997 N GLN A 94 11.631 -2.717 -14.223 1.00 0.00 N ATOM 998 CA GLN A 94 12.165 -1.396 -14.534 1.00 0.00 C ATOM 999 C GLN A 94 11.065 -0.332 -14.491 1.00 0.00 C ATOM 1000 O GLN A 94 11.287 0.796 -14.053 1.00 0.00 O ATOM 1001 CB GLN A 94 12.792 -1.423 -15.927 1.00 0.00 C ATOM 1002 CG GLN A 94 13.976 -2.395 -15.934 1.00 0.00 C ATOM 1003 CD GLN A 94 14.607 -2.447 -17.321 1.00 0.00 C ATOM 1004 OE1 GLN A 94 14.490 -3.533 -18.039 1.00 0.00 O flip ATOM 1005 NE2 GLN A 94 15.228 -1.480 -17.759 1.00 0.00 N flip ATOM 0 H GLN A 94 11.664 -3.382 -14.995 1.00 0.00 H new ATOM 0 HA GLN A 94 12.917 -1.141 -13.787 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.051 -1.730 -16.665 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.126 -0.424 -16.207 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.718 -2.080 -15.200 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.641 -3.390 -15.642 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.318 -0.634 -17.196 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.653 -1.524 -18.685 1.00 0.00 H new ATOM 1014 N ARG A 95 9.892 -0.708 -14.982 1.00 0.00 N ATOM 1015 CA ARG A 95 8.749 0.202 -15.046 1.00 0.00 C ATOM 1016 C ARG A 95 8.069 0.445 -13.691 1.00 0.00 C ATOM 1017 O ARG A 95 7.539 1.532 -13.459 1.00 0.00 O ATOM 1018 CB ARG A 95 7.720 -0.346 -16.036 1.00 0.00 C ATOM 1019 CG ARG A 95 8.292 -0.268 -17.454 1.00 0.00 C ATOM 1020 CD ARG A 95 7.263 -0.789 -18.459 1.00 0.00 C ATOM 1021 NE ARG A 95 7.903 -1.047 -19.748 1.00 0.00 N ATOM 1022 CZ ARG A 95 7.308 -0.738 -20.897 1.00 0.00 C ATOM 1023 NH1 ARG A 95 6.120 -0.194 -20.901 1.00 0.00 N ATOM 1024 NH2 ARG A 95 7.918 -0.979 -22.026 1.00 0.00 N ATOM 0 H ARG A 95 9.703 -1.642 -15.345 1.00 0.00 H new ATOM 0 HA ARG A 95 9.140 1.165 -15.373 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.473 -1.378 -15.787 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.795 0.228 -15.972 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.557 0.762 -17.693 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.207 -0.856 -17.519 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.806 -1.704 -18.082 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.462 -0.060 -18.582 1.00 0.00 H new ATOM 0 HE ARG A 95 8.829 -1.475 -19.767 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.643 -0.004 -20.020 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.669 0.040 -21.786 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.846 -1.402 -22.024 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.466 -0.744 -22.910 1.00 0.00 H new ATOM 1038 N CYS A 96 8.029 -0.562 -12.815 1.00 0.00 N ATOM 1039 CA CYS A 96 7.339 -0.388 -11.528 1.00 0.00 C ATOM 1040 C CYS A 96 8.277 -0.375 -10.317 1.00 0.00 C ATOM 1041 O CYS A 96 7.869 0.032 -9.230 1.00 0.00 O ATOM 1042 CB CYS A 96 6.299 -1.496 -11.336 1.00 0.00 C ATOM 1043 SG CYS A 96 5.259 -1.617 -12.811 1.00 0.00 S ATOM 0 H CYS A 96 8.450 -1.479 -12.962 1.00 0.00 H new ATOM 0 HA CYS A 96 6.865 0.593 -11.576 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.797 -2.448 -11.151 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.684 -1.283 -10.462 1.00 0.00 H new ATOM 1048 N ASN A 97 9.517 -0.832 -10.472 1.00 0.00 N ATOM 1049 CA ASN A 97 10.431 -0.859 -9.330 1.00 0.00 C ATOM 1050 C ASN A 97 10.639 0.531 -8.736 1.00 0.00 C ATOM 1051 O ASN A 97 10.828 1.508 -9.458 1.00 0.00 O ATOM 1052 CB ASN A 97 11.791 -1.437 -9.727 1.00 0.00 C ATOM 1053 CG ASN A 97 11.685 -2.948 -9.896 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.582 -3.493 -9.930 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.772 -3.661 -9.986 1.00 0.00 N ATOM 0 H ASN A 97 9.905 -1.179 -11.349 1.00 0.00 H new ATOM 0 HA ASN A 97 9.968 -1.497 -8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.132 -0.982 -10.657 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.533 -1.199 -8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.711 -4.674 -10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.684 -3.206 -9.957 1.00 0.00 H new ATOM 1062 N ASN A 98 10.620 0.590 -7.406 1.00 0.00 N ATOM 1063 CA ASN A 98 10.828 1.840 -6.676 1.00 0.00 C ATOM 1064 C ASN A 98 9.713 2.856 -6.903 1.00 0.00 C ATOM 1065 O ASN A 98 9.861 4.024 -6.548 1.00 0.00 O ATOM 1066 CB ASN A 98 12.178 2.455 -7.045 1.00 0.00 C ATOM 1067 CG ASN A 98 13.298 1.624 -6.425 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.046 0.588 -5.814 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.530 2.097 -6.572 1.00 0.00 N ATOM 0 H ASN A 98 10.461 -0.220 -6.807 1.00 0.00 H new ATOM 0 HA ASN A 98 10.816 1.585 -5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.291 2.488 -8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.232 3.483 -6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.686 2.962 -7.089 1.00 0.00 H new ATOM 1075 N ARG A 99 8.592 2.422 -7.466 1.00 0.00 N ATOM 1076 CA ARG A 99 7.479 3.337 -7.684 1.00 0.00 C ATOM 1077 C ARG A 99 6.307 2.970 -6.797 1.00 0.00 C ATOM 1078 O ARG A 99 6.036 1.794 -6.554 1.00 0.00 O ATOM 1079 CB ARG A 99 7.014 3.306 -9.138 1.00 0.00 C ATOM 1080 CG ARG A 99 8.065 3.968 -10.024 1.00 0.00 C ATOM 1081 CD ARG A 99 7.628 3.868 -11.483 1.00 0.00 C ATOM 1082 NE ARG A 99 6.506 4.762 -11.740 1.00 0.00 N ATOM 1083 CZ ARG A 99 5.761 4.622 -12.828 1.00 0.00 C ATOM 1084 NH1 ARG A 99 6.038 3.688 -13.692 1.00 0.00 N ATOM 1085 NH2 ARG A 99 4.753 5.422 -13.040 1.00 0.00 N ATOM 0 H ARG A 99 8.431 1.463 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 99 7.833 4.339 -7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.851 2.276 -9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.061 3.825 -9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.191 5.013 -9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.031 3.482 -9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.462 4.123 -12.137 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.344 2.842 -11.715 1.00 0.00 H new ATOM 0 HE ARG A 99 6.291 5.505 -11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.828 3.063 -13.532 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.464 3.581 -14.529 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.536 6.158 -12.368 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.182 5.312 -13.878 1.00 0.00 H new ATOM 1099 N THR A 100 5.602 3.989 -6.335 1.00 0.00 N ATOM 1100 CA THR A 100 4.441 3.777 -5.496 1.00 0.00 C ATOM 1101 C THR A 100 3.306 3.215 -6.351 1.00 0.00 C ATOM 1102 O THR A 100 2.490 2.425 -5.882 1.00 0.00 O ATOM 1103 CB THR A 100 4.037 5.100 -4.844 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.158 5.641 -4.153 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.898 4.861 -3.854 1.00 0.00 C ATOM 0 H THR A 100 5.815 4.968 -6.528 1.00 0.00 H new ATOM 0 HA THR A 100 4.669 3.062 -4.705 1.00 0.00 H new ATOM 0 HB THR A 100 3.704 5.798 -5.613 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.905 6.490 -3.734 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.613 5.806 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.041 4.442 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.226 4.164 -3.083 1.00 0.00 H new ATOM 1113 N GLN A 101 3.294 3.605 -7.627 1.00 0.00 N ATOM 1114 CA GLN A 101 2.291 3.110 -8.566 1.00 0.00 C ATOM 1115 C GLN A 101 2.877 3.047 -9.969 1.00 0.00 C ATOM 1116 O GLN A 101 3.797 3.793 -10.304 1.00 0.00 O ATOM 1117 CB GLN A 101 1.036 3.991 -8.575 1.00 0.00 C ATOM 1118 CG GLN A 101 1.370 5.387 -9.090 1.00 0.00 C ATOM 1119 CD GLN A 101 0.367 5.797 -10.166 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.241 6.864 -10.079 1.00 0.00 O ATOM 1121 NE2 GLN A 101 0.150 4.999 -11.177 1.00 0.00 N ATOM 0 H GLN A 101 3.965 4.259 -8.031 1.00 0.00 H new ATOM 0 HA GLN A 101 2.001 2.111 -8.240 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.270 3.538 -9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.623 4.057 -7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.348 6.102 -8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.381 5.402 -9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.655 4.116 -11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.524 5.259 -11.897 1.00 0.00 H new ATOM 1130 N CYS A 102 2.347 2.146 -10.780 1.00 0.00 N ATOM 1131 CA CYS A 102 2.837 1.991 -12.141 1.00 0.00 C ATOM 1132 C CYS A 102 1.765 1.393 -13.045 1.00 0.00 C ATOM 1133 O CYS A 102 1.074 0.449 -12.666 1.00 0.00 O ATOM 1134 CB CYS A 102 4.074 1.089 -12.147 1.00 0.00 C ATOM 1135 SG CYS A 102 3.563 -0.642 -12.298 1.00 0.00 S ATOM 0 H CYS A 102 1.586 1.517 -10.524 1.00 0.00 H new ATOM 0 HA CYS A 102 3.099 2.978 -12.523 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.729 1.359 -12.975 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.645 1.231 -11.229 1.00 0.00 H new ATOM 1140 N VAL A 103 1.646 1.943 -14.248 1.00 0.00 N ATOM 1141 CA VAL A 103 0.670 1.447 -15.211 1.00 0.00 C ATOM 1142 C VAL A 103 1.370 1.089 -16.519 1.00 0.00 C ATOM 1143 O VAL A 103 2.107 1.897 -17.082 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.412 2.505 -15.458 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.442 1.975 -16.459 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.122 2.813 -14.141 1.00 0.00 C ATOM 0 H VAL A 103 2.209 2.727 -14.578 1.00 0.00 H new ATOM 0 HA VAL A 103 0.195 0.552 -14.809 1.00 0.00 H new ATOM 0 HB VAL A 103 0.054 3.406 -15.857 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.207 2.732 -16.629 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.947 1.741 -17.401 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.906 1.073 -16.060 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.893 3.565 -14.310 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.581 1.903 -13.754 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.399 3.191 -13.418 1.00 0.00 H new ATOM 1156 N VAL A 104 1.140 -0.134 -16.988 1.00 0.00 N ATOM 1157 CA VAL A 104 1.759 -0.600 -18.224 1.00 0.00 C ATOM 1158 C VAL A 104 0.765 -1.381 -19.076 1.00 0.00 C ATOM 1159 O VAL A 104 -0.134 -2.039 -18.552 1.00 0.00 O ATOM 1160 CB VAL A 104 2.960 -1.490 -17.906 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.615 -1.933 -19.213 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.968 -0.702 -17.066 1.00 0.00 C ATOM 0 H VAL A 104 0.533 -0.816 -16.534 1.00 0.00 H new ATOM 0 HA VAL A 104 2.087 0.275 -18.785 1.00 0.00 H new ATOM 0 HB VAL A 104 2.633 -2.367 -17.347 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.473 -2.568 -18.993 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.894 -2.491 -19.811 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.946 -1.056 -19.769 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.825 -1.335 -16.838 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.301 0.173 -17.624 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.496 -0.382 -16.137 1.00 0.00 H new ATOM 1172 N VAL A 105 0.940 -1.310 -20.393 1.00 0.00 N ATOM 1173 CA VAL A 105 0.057 -2.023 -21.305 1.00 0.00 C ATOM 1174 C VAL A 105 0.435 -3.498 -21.364 1.00 0.00 C ATOM 1175 O VAL A 105 1.529 -3.857 -21.801 1.00 0.00 O ATOM 1176 CB VAL A 105 0.124 -1.406 -22.701 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.747 -2.223 -23.659 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.403 0.031 -22.636 1.00 0.00 C ATOM 0 H VAL A 105 1.678 -0.771 -20.847 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.965 -1.938 -20.934 1.00 0.00 H new ATOM 0 HB VAL A 105 1.154 -1.407 -23.057 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.701 -1.785 -24.656 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.382 -3.249 -23.697 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.779 -2.217 -23.307 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.359 0.480 -23.628 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.435 0.024 -22.286 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.210 0.612 -21.947 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.475 -4.346 -20.898 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.234 -5.782 -20.874 1.00 0.00 C ATOM 1190 C ALA A 106 -0.205 -6.369 -22.281 1.00 0.00 C ATOM 1191 O ALA A 106 -0.669 -7.487 -22.501 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.323 -6.475 -20.052 1.00 0.00 C ATOM 0 H ALA A 106 -1.384 -4.064 -20.533 1.00 0.00 H new ATOM 0 HA ALA A 106 0.741 -5.950 -20.417 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.139 -7.549 -20.037 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.310 -6.090 -19.032 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.297 -6.280 -20.501 1.00 0.00 H new ATOM 1198 N GLY A 107 0.334 -5.616 -23.233 1.00 0.00 N ATOM 1199 CA GLY A 107 0.409 -6.089 -24.610 1.00 0.00 C ATOM 1200 C GLY A 107 1.077 -5.053 -25.505 1.00 0.00 C ATOM 1201 O GLY A 107 2.227 -4.679 -25.278 1.00 0.00 O ATOM 0 H GLY A 107 0.722 -4.685 -23.079 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.969 -7.023 -24.648 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.594 -6.303 -24.980 1.00 0.00 H new ATOM 1205 N SER A 108 0.345 -4.592 -26.513 1.00 0.00 N ATOM 1206 CA SER A 108 0.868 -3.595 -27.445 1.00 0.00 C ATOM 1207 C SER A 108 2.388 -3.704 -27.567 1.00 0.00 C ATOM 1208 O SER A 108 2.973 -4.752 -27.295 1.00 0.00 O ATOM 1209 CB SER A 108 0.487 -2.189 -26.971 1.00 0.00 C ATOM 1210 OG SER A 108 0.805 -1.244 -27.986 1.00 0.00 O ATOM 0 H SER A 108 -0.611 -4.891 -26.707 1.00 0.00 H new ATOM 0 HA SER A 108 0.430 -3.781 -28.426 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.578 -2.147 -26.741 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.021 -1.946 -26.053 1.00 0.00 H new ATOM 0 HG SER A 108 0.560 -0.345 -27.684 1.00 0.00 H new ATOM 1216 N ASP A 109 3.025 -2.621 -28.005 1.00 0.00 N ATOM 1217 CA ASP A 109 4.476 -2.620 -28.177 1.00 0.00 C ATOM 1218 C ASP A 109 5.192 -2.660 -26.831 1.00 0.00 C ATOM 1219 O ASP A 109 6.421 -2.639 -26.778 1.00 0.00 O ATOM 1220 CB ASP A 109 4.925 -1.380 -28.950 1.00 0.00 C ATOM 1221 CG ASP A 109 4.345 -1.408 -30.358 1.00 0.00 C ATOM 1222 OD1 ASP A 109 4.145 -2.496 -30.872 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.115 -0.342 -30.904 1.00 0.00 O ATOM 0 H ASP A 109 2.566 -1.742 -28.245 1.00 0.00 H new ATOM 0 HA ASP A 109 4.738 -3.515 -28.741 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.598 -0.479 -28.431 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.013 -1.344 -28.996 1.00 0.00 H new ATOM 1228 N ALA A 110 4.427 -2.708 -25.745 1.00 0.00 N ATOM 1229 CA ALA A 110 5.026 -2.742 -24.420 1.00 0.00 C ATOM 1230 C ALA A 110 5.458 -4.163 -24.076 1.00 0.00 C ATOM 1231 O ALA A 110 6.236 -4.372 -23.146 1.00 0.00 O ATOM 1232 CB ALA A 110 4.020 -2.248 -23.377 1.00 0.00 C ATOM 0 H ALA A 110 3.407 -2.724 -25.757 1.00 0.00 H new ATOM 0 HA ALA A 110 5.900 -2.090 -24.415 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.477 -2.277 -22.388 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.726 -1.225 -23.611 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.139 -2.890 -23.388 1.00 0.00 H new ATOM 1238 N PHE A 111 4.967 -5.136 -24.842 1.00 0.00 N ATOM 1239 CA PHE A 111 5.333 -6.530 -24.608 1.00 0.00 C ATOM 1240 C PHE A 111 5.508 -7.284 -25.924 1.00 0.00 C ATOM 1241 O PHE A 111 4.631 -7.248 -26.786 1.00 0.00 O ATOM 1242 CB PHE A 111 4.254 -7.253 -23.807 1.00 0.00 C ATOM 1243 CG PHE A 111 4.413 -6.959 -22.341 1.00 0.00 C ATOM 1244 CD1 PHE A 111 3.879 -5.786 -21.803 1.00 0.00 C ATOM 1245 CD2 PHE A 111 5.091 -7.866 -21.518 1.00 0.00 C ATOM 1246 CE1 PHE A 111 4.024 -5.516 -20.439 1.00 0.00 C ATOM 1247 CE2 PHE A 111 5.236 -7.595 -20.156 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.703 -6.421 -19.617 1.00 0.00 C ATOM 0 H PHE A 111 4.324 -4.987 -25.619 1.00 0.00 H new ATOM 0 HA PHE A 111 6.272 -6.516 -24.054 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.267 -6.937 -24.144 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.321 -8.327 -23.980 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.355 -5.089 -22.440 1.00 0.00 H new ATOM 0 HD2 PHE A 111 5.501 -8.774 -21.936 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.612 -4.610 -20.021 1.00 0.00 H new ATOM 0 HE2 PHE A 111 5.760 -8.292 -19.519 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.816 -6.212 -18.563 1.00 0.00 H new ATOM 1258 N PRO A 112 6.594 -7.995 -26.082 1.00 0.00 N ATOM 1259 CA PRO A 112 6.840 -8.808 -27.306 1.00 0.00 C ATOM 1260 C PRO A 112 5.654 -9.722 -27.624 1.00 0.00 C ATOM 1261 O PRO A 112 4.511 -9.408 -27.290 1.00 0.00 O ATOM 1262 CB PRO A 112 8.074 -9.644 -26.961 1.00 0.00 C ATOM 1263 CG PRO A 112 8.743 -8.965 -25.811 1.00 0.00 C ATOM 1264 CD PRO A 112 7.703 -8.089 -25.120 1.00 0.00 C ATOM 0 HA PRO A 112 6.980 -8.181 -28.186 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.790 -10.663 -26.697 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.747 -9.712 -27.816 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.147 -9.700 -25.115 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.581 -8.361 -26.159 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.375 -8.531 -24.179 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.108 -7.105 -24.885 1.00 0.00 H new ATOM 1272 N ASP A 113 5.940 -10.859 -28.255 1.00 0.00 N ATOM 1273 CA ASP A 113 4.896 -11.824 -28.606 1.00 0.00 C ATOM 1274 C ASP A 113 5.467 -13.245 -28.531 1.00 0.00 C ATOM 1275 O ASP A 113 6.083 -13.724 -29.480 1.00 0.00 O ATOM 1276 CB ASP A 113 4.383 -11.534 -30.020 1.00 0.00 C ATOM 1277 CG ASP A 113 2.996 -12.141 -30.219 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.619 -12.988 -29.427 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.327 -11.741 -31.159 1.00 0.00 O ATOM 0 H ASP A 113 6.881 -11.135 -28.533 1.00 0.00 H new ATOM 0 HA ASP A 113 4.066 -11.737 -27.905 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.343 -10.457 -30.185 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.075 -11.944 -30.756 1.00 0.00 H new ATOM 1284 N PRO A 114 5.310 -13.902 -27.408 1.00 0.00 N ATOM 1285 CA PRO A 114 5.861 -15.273 -27.182 1.00 0.00 C ATOM 1286 C PRO A 114 4.980 -16.413 -27.700 1.00 0.00 C ATOM 1287 O PRO A 114 5.426 -17.559 -27.754 1.00 0.00 O ATOM 1288 CB PRO A 114 5.966 -15.343 -25.663 1.00 0.00 C ATOM 1289 CG PRO A 114 4.858 -14.475 -25.152 1.00 0.00 C ATOM 1290 CD PRO A 114 4.591 -13.409 -26.221 1.00 0.00 C ATOM 0 HA PRO A 114 6.797 -15.408 -27.724 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.859 -16.368 -25.308 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.937 -14.986 -25.319 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.961 -15.066 -24.965 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.137 -14.011 -24.206 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.524 -13.300 -26.418 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.959 -12.431 -25.910 1.00 0.00 H new ATOM 1298 N CYS A 115 3.744 -16.114 -28.076 1.00 0.00 N ATOM 1299 CA CYS A 115 2.858 -17.163 -28.574 1.00 0.00 C ATOM 1300 C CYS A 115 1.623 -16.577 -29.244 1.00 0.00 C ATOM 1301 O CYS A 115 0.505 -16.747 -28.755 1.00 0.00 O ATOM 1302 CB CYS A 115 2.415 -18.067 -27.426 1.00 0.00 C ATOM 1303 SG CYS A 115 1.933 -17.048 -26.016 1.00 0.00 S ATOM 0 H CYS A 115 3.337 -15.179 -28.048 1.00 0.00 H new ATOM 0 HA CYS A 115 3.417 -17.740 -29.311 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.579 -18.691 -27.741 1.00 0.00 H new ATOM 0 HB3 CYS A 115 3.225 -18.739 -27.144 1.00 0.00 H new ATOM 1308 N PRO A 116 1.796 -15.915 -30.356 1.00 0.00 N ATOM 1309 CA PRO A 116 0.663 -15.315 -31.108 1.00 0.00 C ATOM 1310 C PRO A 116 -0.376 -16.376 -31.457 1.00 0.00 C ATOM 1311 O PRO A 116 -0.052 -17.560 -31.568 1.00 0.00 O ATOM 1312 CB PRO A 116 1.304 -14.724 -32.371 1.00 0.00 C ATOM 1313 CG PRO A 116 2.695 -15.270 -32.432 1.00 0.00 C ATOM 1314 CD PRO A 116 3.085 -15.659 -31.009 1.00 0.00 C ATOM 0 HA PRO A 116 0.134 -14.558 -30.529 1.00 0.00 H new ATOM 0 HB2 PRO A 116 0.738 -15.002 -33.260 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.316 -13.635 -32.328 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.741 -16.134 -33.094 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.384 -14.526 -32.831 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.724 -16.542 -30.996 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.635 -14.860 -30.511 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.623 -15.957 -31.621 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.688 -16.894 -31.947 1.00 0.00 C ATOM 1324 C GLY A 117 -3.387 -17.367 -30.678 1.00 0.00 C ATOM 1325 O GLY A 117 -4.401 -18.064 -30.740 1.00 0.00 O ATOM 0 H GLY A 117 -1.920 -14.985 -31.535 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.409 -16.418 -32.611 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.277 -17.749 -32.484 1.00 0.00 H new ATOM 1329 N THR A 118 -2.849 -16.973 -29.528 1.00 0.00 N ATOM 1330 CA THR A 118 -3.430 -17.348 -28.244 1.00 0.00 C ATOM 1331 C THR A 118 -3.683 -16.096 -27.410 1.00 0.00 C ATOM 1332 O THR A 118 -2.931 -15.125 -27.504 1.00 0.00 O ATOM 1333 CB THR A 118 -2.479 -18.297 -27.498 1.00 0.00 C ATOM 1334 OG1 THR A 118 -2.288 -19.469 -28.274 1.00 0.00 O ATOM 1335 CG2 THR A 118 -3.068 -18.682 -26.140 1.00 0.00 C ATOM 0 H THR A 118 -2.012 -16.394 -29.459 1.00 0.00 H new ATOM 0 HA THR A 118 -4.377 -17.860 -28.413 1.00 0.00 H new ATOM 0 HB THR A 118 -1.526 -17.792 -27.339 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.681 -20.077 -27.804 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.383 -19.354 -25.624 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.216 -17.784 -25.540 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.025 -19.182 -26.287 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.721 -16.127 -26.579 1.00 0.00 N ATOM 1344 CA TYR A 119 -5.025 -14.984 -25.725 1.00 0.00 C ATOM 1345 C TYR A 119 -4.110 -15.046 -24.509 1.00 0.00 C ATOM 1346 O TYR A 119 -4.177 -15.983 -23.716 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.494 -15.037 -25.295 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.965 -13.679 -24.826 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.871 -12.559 -25.668 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.523 -13.545 -23.549 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -7.338 -11.313 -25.230 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.985 -12.298 -23.112 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.894 -11.184 -23.951 1.00 0.00 C ATOM 1354 OH TYR A 119 -8.359 -9.959 -23.521 1.00 0.00 O ATOM 0 H TYR A 119 -5.357 -16.918 -26.479 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.862 -14.050 -26.262 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -7.110 -15.372 -26.129 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.617 -15.766 -24.494 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.439 -12.658 -26.653 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.597 -14.405 -22.900 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.269 -10.452 -25.878 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.412 -12.197 -22.125 1.00 0.00 H new ATOM 0 HH TYR A 119 -8.921 -10.083 -22.728 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.211 -14.081 -24.407 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.236 -14.077 -23.329 1.00 0.00 C ATOM 1366 C LYS A 120 -2.708 -13.305 -22.092 1.00 0.00 C ATOM 1367 O LYS A 120 -3.890 -13.010 -21.916 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.927 -13.480 -23.860 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.384 -14.376 -24.976 1.00 0.00 C ATOM 1370 CD LYS A 120 0.928 -13.794 -25.511 1.00 0.00 C ATOM 1371 CE LYS A 120 0.665 -13.039 -26.819 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.940 -13.939 -27.977 1.00 0.00 N ATOM 0 H LYS A 120 -3.136 -13.295 -25.053 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.091 -15.107 -23.004 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.099 -12.472 -24.237 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.197 -13.398 -23.055 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.218 -15.385 -24.598 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.114 -14.453 -25.782 1.00 0.00 H new ATOM 0 HD2 LYS A 120 1.366 -13.121 -24.774 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.649 -14.594 -25.680 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -0.368 -12.694 -26.851 1.00 0.00 H new ATOM 0 HE3 LYS A 120 1.299 -12.154 -26.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.535 -13.441 -28.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 1.435 -14.791 -27.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 0.042 -14.213 -28.425 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.727 -12.946 -21.282 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.959 -12.155 -20.083 1.00 0.00 C ATOM 1388 C TYR A 121 -0.644 -11.776 -19.424 1.00 0.00 C ATOM 1389 O TYR A 121 0.428 -12.204 -19.853 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.885 -12.892 -19.105 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.196 -14.085 -18.497 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.177 -13.906 -17.558 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.595 -15.376 -18.862 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.550 -15.020 -16.985 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -1.973 -16.489 -18.286 1.00 0.00 C ATOM 1396 CZ TYR A 121 -0.949 -16.310 -17.348 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.336 -17.407 -16.780 1.00 0.00 O ATOM 0 H TYR A 121 -0.749 -13.193 -21.435 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.461 -11.233 -20.377 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.201 -12.210 -18.316 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.786 -13.216 -19.627 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.873 -12.909 -17.274 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.383 -15.513 -19.588 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.241 -14.882 -16.263 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.282 -17.485 -18.565 1.00 0.00 H new ATOM 0 HH TYR A 121 -1.018 -18.025 -16.443 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.734 -10.974 -18.377 1.00 0.00 N ATOM 1408 CA LEU A 122 0.447 -10.540 -17.651 1.00 0.00 C ATOM 1409 C LEU A 122 0.212 -10.690 -16.156 1.00 0.00 C ATOM 1410 O LEU A 122 -0.773 -10.184 -15.625 1.00 0.00 O ATOM 1411 CB LEU A 122 0.737 -9.075 -17.982 1.00 0.00 C ATOM 1412 CG LEU A 122 1.965 -8.589 -17.203 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.238 -9.093 -17.879 1.00 0.00 C ATOM 1414 CD2 LEU A 122 1.982 -7.057 -17.177 1.00 0.00 C ATOM 0 H LEU A 122 -1.613 -10.610 -18.010 1.00 0.00 H new ATOM 0 HA LEU A 122 1.299 -11.154 -17.943 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.909 -8.964 -19.053 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.128 -8.460 -17.732 1.00 0.00 H new ATOM 0 HG LEU A 122 1.917 -8.974 -16.184 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.108 -8.745 -17.322 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.232 -10.183 -17.899 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.284 -8.711 -18.899 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.855 -6.712 -16.623 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.026 -6.676 -18.197 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.077 -6.691 -16.692 1.00 0.00 H new ATOM 1426 N GLU A 123 1.125 -11.377 -15.482 1.00 0.00 N ATOM 1427 CA GLU A 123 1.009 -11.579 -14.044 1.00 0.00 C ATOM 1428 C GLU A 123 2.215 -10.958 -13.355 1.00 0.00 C ATOM 1429 O GLU A 123 3.350 -11.192 -13.763 1.00 0.00 O ATOM 1430 CB GLU A 123 0.953 -13.075 -13.736 1.00 0.00 C ATOM 1431 CG GLU A 123 0.735 -13.286 -12.238 1.00 0.00 C ATOM 1432 CD GLU A 123 0.822 -14.773 -11.911 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.856 -15.561 -12.841 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.850 -15.102 -10.737 1.00 0.00 O ATOM 0 H GLU A 123 1.950 -11.802 -15.905 1.00 0.00 H new ATOM 0 HA GLU A 123 0.096 -11.107 -13.681 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.145 -13.542 -14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.880 -13.555 -14.049 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.484 -12.734 -11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.239 -12.895 -11.944 1.00 0.00 H new ATOM 1441 N VAL A 124 1.973 -10.146 -12.329 1.00 0.00 N ATOM 1442 CA VAL A 124 3.079 -9.493 -11.637 1.00 0.00 C ATOM 1443 C VAL A 124 2.950 -9.608 -10.121 1.00 0.00 C ATOM 1444 O VAL A 124 1.975 -9.144 -9.530 1.00 0.00 O ATOM 1445 CB VAL A 124 3.110 -8.007 -12.012 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.347 -7.347 -11.402 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.153 -7.849 -13.534 1.00 0.00 C ATOM 0 H VAL A 124 1.045 -9.928 -11.966 1.00 0.00 H new ATOM 0 HA VAL A 124 3.998 -9.992 -11.944 1.00 0.00 H new ATOM 0 HB VAL A 124 2.210 -7.528 -11.626 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.366 -6.291 -11.671 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.314 -7.445 -10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.245 -7.834 -11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.175 -6.790 -13.789 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.047 -8.335 -13.925 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.268 -8.310 -13.973 1.00 0.00 H new ATOM 1457 N GLN A 125 3.956 -10.212 -9.496 1.00 0.00 N ATOM 1458 CA GLN A 125 3.969 -10.365 -8.050 1.00 0.00 C ATOM 1459 C GLN A 125 5.026 -9.438 -7.464 1.00 0.00 C ATOM 1460 O GLN A 125 6.151 -9.370 -7.967 1.00 0.00 O ATOM 1461 CB GLN A 125 4.278 -11.820 -7.687 1.00 0.00 C ATOM 1462 CG GLN A 125 3.219 -12.734 -8.312 1.00 0.00 C ATOM 1463 CD GLN A 125 3.877 -13.802 -9.183 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.390 -14.045 -10.371 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 4.852 -14.430 -8.772 1.00 0.00 N flip ATOM 0 H GLN A 125 4.771 -10.602 -9.970 1.00 0.00 H new ATOM 0 HA GLN A 125 2.993 -10.105 -7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.270 -12.094 -8.047 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.287 -11.943 -6.604 1.00 0.00 H new ATOM 0 HG2 GLN A 125 2.631 -13.209 -7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.529 -12.142 -8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.229 -14.237 -7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.284 -15.144 -9.359 1.00 0.00 H new ATOM 1474 N TYR A 126 4.648 -8.698 -6.431 1.00 0.00 N ATOM 1475 CA TYR A 126 5.566 -7.745 -5.824 1.00 0.00 C ATOM 1476 C TYR A 126 5.212 -7.464 -4.372 1.00 0.00 C ATOM 1477 O TYR A 126 4.178 -7.899 -3.867 1.00 0.00 O ATOM 1478 CB TYR A 126 5.529 -6.436 -6.615 1.00 0.00 C ATOM 1479 CG TYR A 126 4.185 -5.773 -6.433 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.126 -6.115 -7.281 1.00 0.00 C ATOM 1481 CD2 TYR A 126 3.997 -4.819 -5.427 1.00 0.00 C ATOM 1482 CE1 TYR A 126 1.878 -5.502 -7.124 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.747 -4.207 -5.271 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.689 -4.547 -6.118 1.00 0.00 C ATOM 1485 OH TYR A 126 0.458 -3.941 -5.960 1.00 0.00 O ATOM 0 H TYR A 126 3.724 -8.738 -6.000 1.00 0.00 H new ATOM 0 HA TYR A 126 6.565 -8.179 -5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.323 -5.771 -6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.709 -6.633 -7.672 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.272 -6.852 -8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.814 -4.555 -4.772 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.061 -5.766 -7.779 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.601 -3.471 -4.494 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.249 -4.558 -6.242 1.00 0.00 H new ATOM 1495 N ASP A 127 6.084 -6.716 -3.713 1.00 0.00 N ATOM 1496 CA ASP A 127 5.873 -6.354 -2.322 1.00 0.00 C ATOM 1497 C ASP A 127 5.946 -4.837 -2.175 1.00 0.00 C ATOM 1498 O ASP A 127 6.565 -4.163 -2.997 1.00 0.00 O ATOM 1499 CB ASP A 127 6.932 -7.033 -1.450 1.00 0.00 C ATOM 1500 CG ASP A 127 6.612 -8.519 -1.322 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.712 -8.970 -2.013 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.275 -9.187 -0.546 1.00 0.00 O ATOM 0 H ASP A 127 6.944 -6.348 -4.120 1.00 0.00 H new ATOM 0 HA ASP A 127 4.888 -6.690 -1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 127 7.920 -6.900 -1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.957 -6.570 -0.464 1.00 0.00 H new ATOM 1507 N CYS A 128 5.316 -4.295 -1.134 1.00 0.00 N ATOM 1508 CA CYS A 128 5.338 -2.853 -0.924 1.00 0.00 C ATOM 1509 C CYS A 128 6.215 -2.510 0.274 1.00 0.00 C ATOM 1510 O CYS A 128 5.918 -2.890 1.406 1.00 0.00 O ATOM 1511 CB CYS A 128 3.915 -2.334 -0.696 1.00 0.00 C ATOM 1512 SG CYS A 128 2.961 -2.502 -2.221 1.00 0.00 S ATOM 0 H CYS A 128 4.793 -4.823 -0.435 1.00 0.00 H new ATOM 0 HA CYS A 128 5.752 -2.375 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.437 -2.893 0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 128 3.943 -1.290 -0.385 1.00 0.00 H new ATOM 1517 N VAL A 129 7.302 -1.794 0.013 1.00 0.00 N ATOM 1518 CA VAL A 129 8.228 -1.412 1.073 1.00 0.00 C ATOM 1519 C VAL A 129 8.346 0.109 1.162 1.00 0.00 C ATOM 1520 O VAL A 129 8.120 0.801 0.175 1.00 0.00 O ATOM 1521 CB VAL A 129 9.600 -2.006 0.770 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.438 -3.460 0.315 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.255 -1.190 -0.348 1.00 0.00 C ATOM 0 H VAL A 129 7.563 -1.468 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 129 7.853 -1.789 2.024 1.00 0.00 H new ATOM 0 HB VAL A 129 10.223 -1.977 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.418 -3.885 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 129 8.959 -4.037 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 129 8.821 -3.494 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.237 -1.605 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.631 -1.229 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.364 -0.154 -0.026 1.00 0.00 H new ATOM 1533 N PRO A 130 8.709 0.638 2.306 1.00 0.00 N ATOM 1534 CA PRO A 130 8.864 2.114 2.490 1.00 0.00 C ATOM 1535 C PRO A 130 9.819 2.738 1.472 1.00 0.00 C ATOM 1536 O PRO A 130 10.809 2.120 1.079 1.00 0.00 O ATOM 1537 CB PRO A 130 9.444 2.268 3.895 1.00 0.00 C ATOM 1538 CG PRO A 130 9.208 0.974 4.604 1.00 0.00 C ATOM 1539 CD PRO A 130 9.000 -0.106 3.542 1.00 0.00 C ATOM 0 HA PRO A 130 7.909 2.621 2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.509 2.496 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.964 3.091 4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.057 0.726 5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.335 1.047 5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 130 9.888 -0.728 3.430 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.177 -0.770 3.808 1.00 0.00 H new ATOM 1547 N TYR A 131 9.530 3.973 1.060 1.00 0.00 N ATOM 1548 CA TYR A 131 10.402 4.653 0.104 1.00 0.00 C ATOM 1549 C TYR A 131 11.665 5.156 0.798 1.00 0.00 C ATOM 1550 O TYR A 131 11.594 5.846 1.817 1.00 0.00 O ATOM 1551 CB TYR A 131 9.700 5.830 -0.572 1.00 0.00 C ATOM 1552 CG TYR A 131 10.659 6.423 -1.580 1.00 0.00 C ATOM 1553 CD1 TYR A 131 10.990 5.699 -2.734 1.00 0.00 C ATOM 1554 CD2 TYR A 131 11.229 7.683 -1.361 1.00 0.00 C ATOM 1555 CE1 TYR A 131 11.888 6.233 -3.666 1.00 0.00 C ATOM 1556 CE2 TYR A 131 12.127 8.219 -2.296 1.00 0.00 C ATOM 1557 CZ TYR A 131 12.457 7.493 -3.448 1.00 0.00 C ATOM 1558 OH TYR A 131 13.341 8.019 -4.368 1.00 0.00 O ATOM 0 H TYR A 131 8.719 4.512 1.365 1.00 0.00 H new ATOM 0 HA TYR A 131 10.665 3.923 -0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 131 8.786 5.498 -1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 131 9.411 6.578 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 131 10.551 4.727 -2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 131 10.977 8.242 -0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.142 5.672 -4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 131 12.564 9.192 -2.128 1.00 0.00 H new ATOM 0 HH TYR A 131 13.642 8.901 -4.065 1.00 0.00 H new ATOM 1568 N LYS A 132 12.819 4.796 0.242 1.00 0.00 N ATOM 1569 CA LYS A 132 14.099 5.200 0.816 1.00 0.00 C ATOM 1570 C LYS A 132 14.913 6.029 -0.176 1.00 0.00 C ATOM 1571 O LYS A 132 15.052 5.656 -1.340 1.00 0.00 O ATOM 1572 CB LYS A 132 14.894 3.949 1.185 1.00 0.00 C ATOM 1573 CG LYS A 132 14.091 3.109 2.179 1.00 0.00 C ATOM 1574 CD LYS A 132 14.961 1.963 2.693 1.00 0.00 C ATOM 1575 CE LYS A 132 14.135 1.063 3.613 1.00 0.00 C ATOM 1576 NZ LYS A 132 14.689 1.130 4.994 1.00 0.00 N ATOM 0 H LYS A 132 12.894 4.228 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 132 13.905 5.809 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 132 15.110 3.365 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 132 15.853 4.230 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.758 3.729 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 132 13.196 2.714 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.350 1.384 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.821 2.360 3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 132 13.092 1.381 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.156 0.035 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 14.129 0.519 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.678 0.807 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.647 2.111 5.338 1.00 0.00 H new ATOM 1590 N VAL A 133 15.474 7.139 0.299 1.00 0.00 N ATOM 1591 CA VAL A 133 16.296 7.985 -0.558 1.00 0.00 C ATOM 1592 C VAL A 133 17.771 7.719 -0.286 1.00 0.00 C ATOM 1593 O VAL A 133 18.174 7.532 0.862 1.00 0.00 O ATOM 1594 CB VAL A 133 15.990 9.467 -0.325 1.00 0.00 C ATOM 1595 CG1 VAL A 133 16.591 9.924 1.008 1.00 0.00 C ATOM 1596 CG2 VAL A 133 16.603 10.289 -1.461 1.00 0.00 C ATOM 0 H VAL A 133 15.376 7.469 1.259 1.00 0.00 H new ATOM 0 HA VAL A 133 16.065 7.744 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 133 14.910 9.611 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 133 16.368 10.979 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 133 16.162 9.338 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 133 17.671 9.780 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 133 16.389 11.346 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 133 17.682 10.136 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 133 16.175 9.971 -2.412 1.00 0.00 H new ATOM 1606 N GLU A 134 18.575 7.701 -1.341 1.00 0.00 N ATOM 1607 CA GLU A 134 20.001 7.456 -1.181 1.00 0.00 C ATOM 1608 C GLU A 134 20.234 6.143 -0.441 1.00 0.00 C ATOM 1609 O GLU A 134 19.346 5.305 -0.466 1.00 0.00 O ATOM 1610 CB GLU A 134 20.636 8.602 -0.394 1.00 0.00 C ATOM 1611 CG GLU A 134 20.537 9.898 -1.200 1.00 0.00 C ATOM 1612 CD GLU A 134 21.222 9.726 -2.551 1.00 0.00 C ATOM 1613 OE1 GLU A 134 22.384 9.358 -2.558 1.00 0.00 O ATOM 1614 OE2 GLU A 134 20.577 9.967 -3.557 1.00 0.00 O ATOM 1615 OXT GLU A 134 21.292 5.998 0.147 1.00 0.00 O ATOM 0 H GLU A 134 18.270 7.851 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 134 20.457 7.393 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 134 20.132 8.720 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 134 21.680 8.374 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 134 19.491 10.166 -1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 134 21.002 10.715 -0.649 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.658 1.372 -6.016 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.599 0.993 -7.127 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.778 0.239 -6.569 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.470 1.086 -5.532 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.474 1.512 -4.465 1.00 0.00 C HETATM 1628 C6 NAG A 135 18.093 2.483 -3.461 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.354 0.056 -9.346 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.576 -0.815 -10.301 1.00 0.00 C HETATM 1631 N2 NAG A 135 15.891 0.160 -8.108 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.685 -0.092 -7.633 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.537 0.339 -4.926 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.331 2.172 -5.069 1.00 0.00 O HETATM 1635 O6 NAG A 135 17.222 2.698 -2.340 1.00 0.00 O HETATM 1636 O7 NAG A 135 17.370 0.633 -9.731 1.00 0.00 O HETATM 0 HO6 NAG A 135 17.644 3.322 -1.713 1.00 0.00 H new HETATM 0 HO4 NAG A 135 20.249 0.952 -4.648 1.00 0.00 H new HETATM 0 HO3 NAG A 135 18.485 0.460 -8.417 1.00 0.00 H new HETATM 0 HN2 NAG A 135 15.043 -0.338 -7.837 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.540 -1.834 -9.917 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.561 -0.429 -10.401 1.00 0.00 H new HETATM 0 H81 NAG A 135 16.063 -0.811 -11.276 1.00 0.00 H new HETATM 0 H62 NAG A 135 19.048 2.090 -3.112 1.00 0.00 H new HETATM 0 H61 NAG A 135 18.300 3.434 -3.951 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.168 0.603 -3.948 1.00 0.00 H new HETATM 0 H4 NAG A 135 18.881 1.973 -6.014 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.437 -0.684 -6.100 1.00 0.00 H new HETATM 0 H2 NAG A 135 16.959 1.898 -7.616 1.00 0.00 H new