USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 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: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 89 GLN : amide:sc= -0.283 K(o=-0.4,f=-0.9) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.114 K(o=-0.4,f=-3.3!) USER MOD Set 2.1: A 57 GLN : amide:sc= 0.674 K(o=1.4,f=-2.5) USER MOD Set 2.2: A 88 GLN : amide:sc= 0.76 K(o=1.4,f=-3.7) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.633 K(o=0.72,f=-0.43) USER MOD Set 3.2: A 31 GLN : amide:sc= 0.0842 K(o=0.72,f=0.098) USER MOD Set 4.1: A 28 SER OG : rot -83:sc= 0.9 USER MOD Set 4.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.8!) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.1) USER MOD Single : A 25 GLN : amide:sc= 0.918 K(o=0.92,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= 1.14 (180deg=0.668) USER MOD Single : A 37 HIS : no HE2:sc= -0.28 X(o=-0.28,f=-0.67) USER MOD Single : A 38 THR OG1 : rot -179:sc= -2.59! USER MOD Single : A 41 SER OG : rot -74:sc= 0.162 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.06) USER MOD Single : A 44 MET CE :methyl 175:sc= -0.499 (180deg=-0.57) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -78:sc= -0.118 USER MOD Single : A 51 GLN : amide:sc= -0.0882 X(o=-0.088,f=-0.32) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00642 USER MOD Single : A 55 MET CE :methyl 163:sc= -0.0961 (180deg=-0.563) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 78 MET CE :methyl -126:sc= -2.68 (180deg=-5.4!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0.00726 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 11.300 14.493 -0.663 1.00 10.00 N ATOM 2 CA ASP A 16 9.979 14.908 -0.207 1.00 10.00 C ATOM 3 C ASP A 16 9.030 13.715 -0.182 1.00 10.00 C ATOM 4 O ASP A 16 9.234 12.737 -0.903 1.00 10.00 O ATOM 5 CB ASP A 16 9.421 16.007 -1.118 1.00 10.00 C ATOM 6 CG ASP A 16 8.430 16.907 -0.406 1.00 10.00 C ATOM 7 OD1 ASP A 16 8.363 16.864 0.841 1.00 10.00 O ATOM 8 OD2 ASP A 16 7.725 17.679 -1.089 1.00 10.00 O ATOM 0 HA ASP A 16 10.070 15.305 0.804 1.00 10.00 H new ATOM 0 HB2 ASP A 16 10.245 16.610 -1.500 1.00 10.00 H new ATOM 0 HB3 ASP A 16 8.936 15.548 -1.979 1.00 10.00 H new ATOM 13 N HIS A 17 7.999 13.797 0.644 1.00 10.00 N ATOM 14 CA HIS A 17 7.026 12.721 0.760 1.00 10.00 C ATOM 15 C HIS A 17 5.639 13.214 0.386 1.00 10.00 C ATOM 16 O HIS A 17 5.347 14.407 0.496 1.00 10.00 O ATOM 17 CB HIS A 17 7.000 12.165 2.186 1.00 10.00 C ATOM 18 CG HIS A 17 7.916 10.998 2.405 1.00 10.00 C ATOM 19 ND1 HIS A 17 9.175 11.162 2.935 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.706 9.679 2.167 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.696 9.948 3.008 1.00 10.00 C ATOM 22 NE2 HIS A 17 8.842 9.023 2.556 1.00 10.00 N ATOM 0 H HIS A 17 7.814 14.600 1.246 1.00 10.00 H new ATOM 0 HA HIS A 17 7.322 11.927 0.074 1.00 10.00 H new ATOM 0 HB2 HIS A 17 7.271 12.961 2.880 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.981 11.864 2.429 1.00 10.00 H new ATOM 0 HD2 HIS A 17 6.815 9.233 1.751 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.685 9.731 3.385 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.007 8.017 2.510 1.00 10.00 H new ATOM 30 N ILE A 18 4.793 12.301 -0.064 1.00 10.00 N ATOM 31 CA ILE A 18 3.431 12.641 -0.437 1.00 10.00 C ATOM 32 C ILE A 18 2.450 11.734 0.306 1.00 10.00 C ATOM 33 O ILE A 18 2.668 10.525 0.421 1.00 10.00 O ATOM 34 CB ILE A 18 3.219 12.550 -1.969 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.771 12.887 -2.339 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.598 11.174 -2.495 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.535 12.973 -3.831 1.00 10.00 C ATOM 0 H ILE A 18 5.028 11.315 -0.180 1.00 10.00 H new ATOM 0 HA ILE A 18 3.245 13.676 -0.150 1.00 10.00 H new ATOM 0 HB ILE A 18 3.874 13.283 -2.439 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.111 12.129 -1.918 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.499 13.838 -1.880 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.439 11.140 -3.573 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.648 10.978 -2.277 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.979 10.417 -2.013 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.489 13.215 -4.021 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.170 13.751 -4.256 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.776 12.016 -4.293 1.00 10.00 H new ATOM 49 N ASN A 19 1.393 12.326 0.845 1.00 10.00 N ATOM 50 CA ASN A 19 0.398 11.569 1.592 1.00 10.00 C ATOM 51 C ASN A 19 -0.823 11.292 0.737 1.00 10.00 C ATOM 52 O ASN A 19 -1.547 12.210 0.356 1.00 10.00 O ATOM 53 CB ASN A 19 -0.035 12.322 2.852 1.00 10.00 C ATOM 54 CG ASN A 19 1.132 12.736 3.721 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.592 11.975 4.572 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.615 13.949 3.518 1.00 10.00 N ATOM 0 H ASN A 19 1.203 13.326 0.779 1.00 10.00 H new ATOM 0 HA ASN A 19 0.859 10.625 1.881 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.599 13.209 2.563 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.708 11.691 3.433 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.399 14.286 4.077 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.204 14.548 2.802 1.00 10.00 H new ATOM 63 N LEU A 20 -1.045 10.029 0.433 1.00 10.00 N ATOM 64 CA LEU A 20 -2.193 9.627 -0.362 1.00 10.00 C ATOM 65 C LEU A 20 -3.284 9.098 0.557 1.00 10.00 C ATOM 66 O LEU A 20 -3.012 8.749 1.706 1.00 10.00 O ATOM 67 CB LEU A 20 -1.786 8.567 -1.385 1.00 10.00 C ATOM 68 CG LEU A 20 -0.649 8.982 -2.320 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.348 7.881 -3.322 1.00 10.00 C ATOM 70 CD2 LEU A 20 -0.994 10.280 -3.036 1.00 10.00 C ATOM 0 H LEU A 20 -0.444 9.259 0.725 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.576 10.490 -0.906 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.488 7.664 -0.853 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.657 8.310 -1.987 1.00 10.00 H new ATOM 0 HG LEU A 20 0.245 9.148 -1.719 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.464 8.197 -3.977 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -0.054 6.976 -2.791 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -1.238 7.679 -3.918 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.174 10.560 -3.697 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -1.902 10.142 -3.623 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.154 11.069 -2.301 1.00 10.00 H new ATOM 82 N LYS A 21 -4.514 9.041 0.070 1.00 10.00 N ATOM 83 CA LYS A 21 -5.616 8.557 0.888 1.00 10.00 C ATOM 84 C LYS A 21 -6.435 7.506 0.149 1.00 10.00 C ATOM 85 O LYS A 21 -6.815 7.691 -1.006 1.00 10.00 O ATOM 86 CB LYS A 21 -6.498 9.728 1.339 1.00 10.00 C ATOM 87 CG LYS A 21 -5.804 10.638 2.341 1.00 10.00 C ATOM 88 CD LYS A 21 -6.713 11.747 2.845 1.00 10.00 C ATOM 89 CE LYS A 21 -6.034 12.536 3.954 1.00 10.00 C ATOM 90 NZ LYS A 21 -6.869 13.660 4.451 1.00 10.00 N ATOM 0 H LYS A 21 -4.773 9.320 -0.876 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.198 8.079 1.774 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -6.791 10.313 0.467 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.413 9.337 1.783 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.457 10.044 3.187 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -4.921 11.078 1.877 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -6.971 12.414 2.023 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.646 11.320 3.214 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -5.803 11.866 4.782 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.085 12.928 3.587 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.459 14.035 5.330 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -6.900 14.413 3.734 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -7.834 13.320 4.637 1.00 10.00 H new ATOM 104 N VAL A 22 -6.676 6.395 0.824 1.00 10.00 N ATOM 105 CA VAL A 22 -7.440 5.291 0.259 1.00 10.00 C ATOM 106 C VAL A 22 -8.932 5.477 0.510 1.00 10.00 C ATOM 107 O VAL A 22 -9.342 5.820 1.620 1.00 10.00 O ATOM 108 CB VAL A 22 -7.001 3.944 0.875 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.716 2.778 0.212 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.495 3.778 0.777 1.00 10.00 C ATOM 0 H VAL A 22 -6.350 6.231 1.776 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.248 5.282 -0.814 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.279 3.949 1.929 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.387 1.843 0.666 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.792 2.887 0.346 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.483 2.766 -0.853 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.205 2.823 1.216 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.194 3.802 -0.270 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -5.004 4.589 1.315 1.00 10.00 H new ATOM 120 N ALA A 23 -9.737 5.263 -0.524 1.00 10.00 N ATOM 121 CA ALA A 23 -11.182 5.391 -0.408 1.00 10.00 C ATOM 122 C ALA A 23 -11.838 4.015 -0.394 1.00 10.00 C ATOM 123 O ALA A 23 -12.059 3.408 -1.445 1.00 10.00 O ATOM 124 CB ALA A 23 -11.739 6.238 -1.544 1.00 10.00 C ATOM 0 H ALA A 23 -9.411 4.999 -1.454 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.409 5.892 0.533 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.821 6.322 -1.439 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.293 7.232 -1.509 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.502 5.768 -2.498 1.00 10.00 H new ATOM 130 N GLY A 24 -12.117 3.517 0.801 1.00 10.00 N ATOM 131 CA GLY A 24 -12.746 2.221 0.935 1.00 10.00 C ATOM 132 C GLY A 24 -14.255 2.304 0.830 1.00 10.00 C ATOM 133 O GLY A 24 -14.854 3.323 1.182 1.00 10.00 O ATOM 0 H GLY A 24 -11.918 3.990 1.683 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.366 1.553 0.162 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.474 1.784 1.896 1.00 10.00 H new ATOM 137 N GLN A 25 -14.876 1.221 0.371 1.00 10.00 N ATOM 138 CA GLN A 25 -16.328 1.174 0.206 1.00 10.00 C ATOM 139 C GLN A 25 -17.034 1.070 1.555 1.00 10.00 C ATOM 140 O GLN A 25 -18.255 1.183 1.637 1.00 10.00 O ATOM 141 CB GLN A 25 -16.729 -0.008 -0.683 1.00 10.00 C ATOM 142 CG GLN A 25 -16.078 0.012 -2.059 1.00 10.00 C ATOM 143 CD GLN A 25 -16.344 1.298 -2.817 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.406 1.908 -2.683 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.376 1.725 -3.610 1.00 10.00 N ATOM 0 H GLN A 25 -14.396 0.361 0.106 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.637 2.103 -0.273 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.463 -0.937 -0.179 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.812 -0.009 -0.803 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.002 -0.123 -1.949 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.447 -0.831 -2.643 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.511 1.190 -3.693 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.494 2.589 -4.139 1.00 10.00 H new ATOM 154 N ASP A 26 -16.259 0.850 2.605 1.00 10.00 N ATOM 155 CA ASP A 26 -16.798 0.727 3.954 1.00 10.00 C ATOM 156 C ASP A 26 -16.648 2.040 4.717 1.00 10.00 C ATOM 157 O ASP A 26 -17.147 2.182 5.833 1.00 10.00 O ATOM 158 CB ASP A 26 -16.101 -0.408 4.712 1.00 10.00 C ATOM 159 CG ASP A 26 -14.608 -0.192 4.874 1.00 10.00 C ATOM 160 OD1 ASP A 26 -13.988 0.432 3.987 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.039 -0.662 5.880 1.00 10.00 O ATOM 0 H ASP A 26 -15.245 0.752 2.550 1.00 10.00 H new ATOM 0 HA ASP A 26 -17.859 0.492 3.874 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.555 -0.510 5.697 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.270 -1.346 4.184 1.00 10.00 H new ATOM 166 N GLY A 27 -15.959 2.999 4.110 1.00 10.00 N ATOM 167 CA GLY A 27 -15.773 4.295 4.742 1.00 10.00 C ATOM 168 C GLY A 27 -14.440 4.424 5.455 1.00 10.00 C ATOM 169 O GLY A 27 -14.139 5.472 6.029 1.00 10.00 O ATOM 0 H GLY A 27 -15.525 2.904 3.192 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.851 5.076 3.985 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.578 4.463 5.457 1.00 10.00 H new ATOM 173 N SER A 28 -13.642 3.363 5.432 1.00 10.00 N ATOM 174 CA SER A 28 -12.335 3.377 6.081 1.00 10.00 C ATOM 175 C SER A 28 -11.387 4.343 5.368 1.00 10.00 C ATOM 176 O SER A 28 -11.341 4.391 4.137 1.00 10.00 O ATOM 177 CB SER A 28 -11.739 1.965 6.088 1.00 10.00 C ATOM 178 OG SER A 28 -11.735 1.407 4.785 1.00 10.00 O ATOM 0 H SER A 28 -13.876 2.483 4.972 1.00 10.00 H new ATOM 0 HA SER A 28 -12.463 3.717 7.109 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.721 1.998 6.476 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.315 1.327 6.759 1.00 10.00 H new ATOM 0 HG SER A 28 -12.615 1.021 4.592 1.00 10.00 H new ATOM 184 N VAL A 29 -10.651 5.128 6.143 1.00 10.00 N ATOM 185 CA VAL A 29 -9.702 6.074 5.580 1.00 10.00 C ATOM 186 C VAL A 29 -8.276 5.652 5.917 1.00 10.00 C ATOM 187 O VAL A 29 -7.903 5.535 7.089 1.00 10.00 O ATOM 188 CB VAL A 29 -9.965 7.524 6.063 1.00 10.00 C ATOM 189 CG1 VAL A 29 -10.072 7.592 7.580 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.878 8.468 5.561 1.00 10.00 C ATOM 0 H VAL A 29 -10.694 5.127 7.162 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.835 6.065 4.498 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.920 7.843 5.645 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -10.256 8.622 7.886 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.895 6.961 7.915 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -9.141 7.242 8.026 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.084 9.479 5.912 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.909 8.142 5.940 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.863 8.459 4.471 1.00 10.00 H new ATOM 200 N VAL A 30 -7.491 5.382 4.888 1.00 10.00 N ATOM 201 CA VAL A 30 -6.114 4.968 5.079 1.00 10.00 C ATOM 202 C VAL A 30 -5.159 5.955 4.424 1.00 10.00 C ATOM 203 O VAL A 30 -5.271 6.249 3.236 1.00 10.00 O ATOM 204 CB VAL A 30 -5.859 3.552 4.518 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.420 3.120 4.759 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.826 2.550 5.131 1.00 10.00 C ATOM 0 H VAL A 30 -7.784 5.442 3.913 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.932 4.948 6.154 1.00 10.00 H new ATOM 0 HB VAL A 30 -6.028 3.582 3.442 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.268 2.119 4.354 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.743 3.818 4.266 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.217 3.113 5.830 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.630 1.559 4.723 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.692 2.530 6.213 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.850 2.843 4.897 1.00 10.00 H new ATOM 216 N GLN A 31 -4.238 6.475 5.216 1.00 10.00 N ATOM 217 CA GLN A 31 -3.246 7.417 4.735 1.00 10.00 C ATOM 218 C GLN A 31 -2.009 6.654 4.287 1.00 10.00 C ATOM 219 O GLN A 31 -1.429 5.879 5.055 1.00 10.00 O ATOM 220 CB GLN A 31 -2.887 8.421 5.833 1.00 10.00 C ATOM 221 CG GLN A 31 -1.843 9.446 5.411 1.00 10.00 C ATOM 222 CD GLN A 31 -1.431 10.354 6.553 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.232 10.673 7.433 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.183 10.786 6.543 1.00 10.00 N ATOM 0 H GLN A 31 -4.158 6.256 6.209 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.654 7.972 3.890 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.791 8.944 6.144 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.518 7.878 6.703 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -0.964 8.928 5.027 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.240 10.050 4.595 1.00 10.00 H new ATOM 0 HE21 GLN A 31 0.450 10.499 5.796 1.00 10.00 H new ATOM 0 HE22 GLN A 31 0.148 11.407 7.282 1.00 10.00 H new ATOM 233 N PHE A 32 -1.619 6.865 3.048 1.00 10.00 N ATOM 234 CA PHE A 32 -0.470 6.188 2.486 1.00 10.00 C ATOM 235 C PHE A 32 0.714 7.129 2.341 1.00 10.00 C ATOM 236 O PHE A 32 0.663 8.095 1.578 1.00 10.00 O ATOM 237 CB PHE A 32 -0.822 5.603 1.121 1.00 10.00 C ATOM 238 CG PHE A 32 -0.892 4.103 1.106 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.096 3.452 1.300 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.246 3.347 0.881 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.168 2.074 1.275 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.182 1.969 0.857 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.027 1.331 1.050 1.00 10.00 C ATOM 0 H PHE A 32 -2.086 7.506 2.406 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.191 5.387 3.170 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.783 6.006 0.800 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.080 5.930 0.393 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.992 4.029 1.473 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.193 3.841 0.723 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.115 1.578 1.431 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.077 1.390 0.687 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.080 0.253 1.025 1.00 10.00 H new ATOM 253 N LYS A 33 1.764 6.857 3.092 1.00 10.00 N ATOM 254 CA LYS A 33 2.977 7.645 3.017 1.00 10.00 C ATOM 255 C LYS A 33 3.874 7.008 1.969 1.00 10.00 C ATOM 256 O LYS A 33 4.335 5.877 2.139 1.00 10.00 O ATOM 257 CB LYS A 33 3.678 7.710 4.376 1.00 10.00 C ATOM 258 CG LYS A 33 4.948 8.542 4.365 1.00 10.00 C ATOM 259 CD LYS A 33 5.381 8.921 5.771 1.00 10.00 C ATOM 260 CE LYS A 33 6.803 9.462 5.786 1.00 10.00 C ATOM 261 NZ LYS A 33 7.119 10.152 7.064 1.00 10.00 N ATOM 0 H LYS A 33 1.800 6.091 3.765 1.00 10.00 H new ATOM 0 HA LYS A 33 2.742 8.672 2.738 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.989 8.124 5.112 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.919 6.698 4.700 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.746 7.983 3.876 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.786 9.446 3.777 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.700 9.671 6.173 1.00 10.00 H new ATOM 0 HD3 LYS A 33 5.315 8.049 6.421 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.505 8.642 5.632 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.936 10.156 4.956 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 8.096 10.506 7.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.465 10.950 7.199 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 7.017 9.483 7.854 1.00 10.00 H new ATOM 275 N ILE A 34 4.085 7.714 0.876 1.00 10.00 N ATOM 276 CA ILE A 34 4.888 7.196 -0.215 1.00 10.00 C ATOM 277 C ILE A 34 5.786 8.284 -0.799 1.00 10.00 C ATOM 278 O ILE A 34 5.487 9.476 -0.687 1.00 10.00 O ATOM 279 CB ILE A 34 3.951 6.620 -1.311 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.736 6.120 -2.528 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.925 7.663 -1.728 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.863 5.537 -3.619 1.00 10.00 C ATOM 0 H ILE A 34 3.711 8.650 0.719 1.00 10.00 H new ATOM 0 HA ILE A 34 5.533 6.404 0.166 1.00 10.00 H new ATOM 0 HB ILE A 34 3.432 5.761 -0.885 1.00 10.00 H new ATOM 0 HG12 ILE A 34 5.314 6.947 -2.941 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.450 5.363 -2.203 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.274 7.246 -2.497 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.327 7.951 -0.863 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.438 8.540 -2.123 1.00 10.00 H new ATOM 0 HD11 ILE A 34 4.489 5.205 -4.447 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.304 4.689 -3.223 1.00 10.00 H new ATOM 0 HD13 ILE A 34 3.167 6.297 -3.973 1.00 10.00 H new ATOM 294 N LYS A 35 6.905 7.876 -1.384 1.00 10.00 N ATOM 295 CA LYS A 35 7.824 8.811 -2.005 1.00 10.00 C ATOM 296 C LYS A 35 7.321 9.170 -3.399 1.00 10.00 C ATOM 297 O LYS A 35 6.576 8.407 -4.015 1.00 10.00 O ATOM 298 CB LYS A 35 9.234 8.219 -2.086 1.00 10.00 C ATOM 299 CG LYS A 35 9.944 8.147 -0.744 1.00 10.00 C ATOM 300 CD LYS A 35 11.418 7.823 -0.919 1.00 10.00 C ATOM 301 CE LYS A 35 12.171 7.883 0.401 1.00 10.00 C ATOM 302 NZ LYS A 35 12.068 6.612 1.158 1.00 10.00 N ATOM 0 H LYS A 35 7.195 6.900 -1.440 1.00 10.00 H new ATOM 0 HA LYS A 35 7.872 9.713 -1.394 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.174 7.216 -2.510 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.832 8.819 -2.772 1.00 10.00 H new ATOM 0 HG2 LYS A 35 9.837 9.098 -0.222 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.473 7.387 -0.121 1.00 10.00 H new ATOM 0 HD2 LYS A 35 11.522 6.828 -1.352 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.863 8.525 -1.624 1.00 10.00 H new ATOM 0 HE2 LYS A 35 13.220 8.107 0.210 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.776 8.699 1.007 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.335 6.776 2.150 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 11.090 6.261 1.116 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 12.707 5.906 0.740 1.00 10.00 H new ATOM 316 N ARG A 36 7.742 10.320 -3.898 1.00 10.00 N ATOM 317 CA ARG A 36 7.319 10.797 -5.209 1.00 10.00 C ATOM 318 C ARG A 36 7.799 9.880 -6.333 1.00 10.00 C ATOM 319 O ARG A 36 7.135 9.747 -7.364 1.00 10.00 O ATOM 320 CB ARG A 36 7.846 12.214 -5.443 1.00 10.00 C ATOM 321 CG ARG A 36 7.281 13.250 -4.484 1.00 10.00 C ATOM 322 CD ARG A 36 6.141 14.032 -5.118 1.00 10.00 C ATOM 323 NE ARG A 36 6.570 14.745 -6.322 1.00 10.00 N ATOM 324 CZ ARG A 36 5.734 15.211 -7.250 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.425 15.043 -7.115 1.00 10.00 N ATOM 326 NH2 ARG A 36 6.208 15.846 -8.312 1.00 10.00 N ATOM 0 H ARG A 36 8.382 10.947 -3.412 1.00 10.00 H new ATOM 0 HA ARG A 36 6.229 10.798 -5.221 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.932 12.206 -5.354 1.00 10.00 H new ATOM 0 HB3 ARG A 36 7.612 12.514 -6.465 1.00 10.00 H new ATOM 0 HG2 ARG A 36 6.926 12.755 -3.580 1.00 10.00 H new ATOM 0 HG3 ARG A 36 8.071 13.937 -4.182 1.00 10.00 H new ATOM 0 HD2 ARG A 36 5.329 13.350 -5.370 1.00 10.00 H new ATOM 0 HD3 ARG A 36 5.745 14.746 -4.396 1.00 10.00 H new ATOM 0 HE ARG A 36 7.570 14.894 -6.459 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.055 14.556 -6.299 1.00 10.00 H new ATOM 0 HH12 ARG A 36 3.789 15.401 -7.827 1.00 10.00 H new ATOM 0 HH21 ARG A 36 7.214 15.979 -8.420 1.00 10.00 H new ATOM 0 HH22 ARG A 36 5.567 16.202 -9.021 1.00 10.00 H new ATOM 340 N HIS A 37 8.943 9.236 -6.125 1.00 10.00 N ATOM 341 CA HIS A 37 9.516 8.352 -7.139 1.00 10.00 C ATOM 342 C HIS A 37 9.231 6.876 -6.855 1.00 10.00 C ATOM 343 O HIS A 37 9.757 5.997 -7.539 1.00 10.00 O ATOM 344 CB HIS A 37 11.029 8.583 -7.259 1.00 10.00 C ATOM 345 CG HIS A 37 11.805 8.368 -5.989 1.00 10.00 C ATOM 346 ND1 HIS A 37 12.428 7.169 -5.722 1.00 10.00 N ATOM 347 CD2 HIS A 37 12.041 9.225 -4.964 1.00 10.00 C ATOM 348 CE1 HIS A 37 13.027 7.321 -4.554 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.821 8.549 -4.059 1.00 10.00 N ATOM 0 H HIS A 37 9.491 9.308 -5.268 1.00 10.00 H new ATOM 0 HA HIS A 37 9.035 8.600 -8.085 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.424 7.917 -8.026 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.200 9.603 -7.604 1.00 10.00 H new ATOM 0 HD1 HIS A 37 12.427 6.333 -6.307 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.685 10.241 -4.877 1.00 10.00 H new ATOM 0 HE1 HIS A 37 13.608 6.555 -4.062 1.00 10.00 H new ATOM 357 N THR A 38 8.392 6.603 -5.866 1.00 10.00 N ATOM 358 CA THR A 38 8.060 5.230 -5.511 1.00 10.00 C ATOM 359 C THR A 38 6.836 4.742 -6.287 1.00 10.00 C ATOM 360 O THR A 38 5.801 5.407 -6.305 1.00 10.00 O ATOM 361 CB THR A 38 7.825 5.102 -3.991 1.00 10.00 C ATOM 362 OG1 THR A 38 9.049 5.378 -3.298 1.00 10.00 O ATOM 363 CG2 THR A 38 7.325 3.714 -3.606 1.00 10.00 C ATOM 0 H THR A 38 7.930 7.312 -5.296 1.00 10.00 H new ATOM 0 HA THR A 38 8.906 4.599 -5.784 1.00 10.00 H new ATOM 0 HB THR A 38 7.056 5.821 -3.709 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.907 5.284 -2.333 1.00 10.00 H new ATOM 0 HG21 THR A 38 7.173 3.668 -2.528 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.382 3.513 -4.114 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.062 2.967 -3.900 1.00 10.00 H new ATOM 371 N PRO A 39 6.963 3.591 -6.975 1.00 10.00 N ATOM 372 CA PRO A 39 5.868 2.999 -7.756 1.00 10.00 C ATOM 373 C PRO A 39 4.605 2.777 -6.925 1.00 10.00 C ATOM 374 O PRO A 39 4.667 2.306 -5.785 1.00 10.00 O ATOM 375 CB PRO A 39 6.443 1.656 -8.219 1.00 10.00 C ATOM 376 CG PRO A 39 7.917 1.835 -8.190 1.00 10.00 C ATOM 377 CD PRO A 39 8.200 2.789 -7.064 1.00 10.00 C ATOM 0 HA PRO A 39 5.558 3.652 -8.572 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.131 0.846 -7.560 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.096 1.403 -9.221 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.422 0.882 -8.030 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.280 2.233 -9.138 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.405 2.261 -6.132 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.069 3.413 -7.275 1.00 10.00 H new ATOM 385 N LEU A 40 3.458 3.100 -7.515 1.00 10.00 N ATOM 386 CA LEU A 40 2.171 2.952 -6.842 1.00 10.00 C ATOM 387 C LEU A 40 1.791 1.483 -6.681 1.00 10.00 C ATOM 388 O LEU A 40 0.820 1.159 -5.995 1.00 10.00 O ATOM 389 CB LEU A 40 1.078 3.694 -7.614 1.00 10.00 C ATOM 390 CG LEU A 40 1.225 5.214 -7.641 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.397 5.804 -8.770 1.00 10.00 C ATOM 392 CD2 LEU A 40 0.809 5.813 -6.305 1.00 10.00 C ATOM 0 H LEU A 40 3.394 3.468 -8.464 1.00 10.00 H new ATOM 0 HA LEU A 40 2.266 3.387 -5.847 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.066 3.327 -8.640 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.112 3.445 -7.175 1.00 10.00 H new ATOM 0 HG LEU A 40 2.273 5.458 -7.816 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.511 6.888 -8.777 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.737 5.397 -9.722 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.653 5.551 -8.622 1.00 10.00 H new ATOM 0 HD21 LEU A 40 0.920 6.897 -6.342 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -0.232 5.562 -6.102 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.441 5.410 -5.513 1.00 10.00 H new ATOM 404 N SER A 41 2.563 0.604 -7.307 1.00 10.00 N ATOM 405 CA SER A 41 2.325 -0.828 -7.227 1.00 10.00 C ATOM 406 C SER A 41 2.376 -1.302 -5.774 1.00 10.00 C ATOM 407 O SER A 41 1.630 -2.195 -5.380 1.00 10.00 O ATOM 408 CB SER A 41 3.367 -1.569 -8.064 1.00 10.00 C ATOM 409 OG SER A 41 4.265 -0.653 -8.672 1.00 10.00 O ATOM 0 H SER A 41 3.366 0.863 -7.880 1.00 10.00 H new ATOM 0 HA SER A 41 1.331 -1.043 -7.620 1.00 10.00 H new ATOM 0 HB2 SER A 41 3.921 -2.264 -7.433 1.00 10.00 H new ATOM 0 HB3 SER A 41 2.870 -2.162 -8.831 1.00 10.00 H new ATOM 0 HG SER A 41 3.815 -0.198 -9.414 1.00 10.00 H new ATOM 415 N LYS A 42 3.243 -0.678 -4.975 1.00 10.00 N ATOM 416 CA LYS A 42 3.385 -1.038 -3.565 1.00 10.00 C ATOM 417 C LYS A 42 2.096 -0.743 -2.807 1.00 10.00 C ATOM 418 O LYS A 42 1.681 -1.504 -1.940 1.00 10.00 O ATOM 419 CB LYS A 42 4.537 -0.263 -2.920 1.00 10.00 C ATOM 420 CG LYS A 42 5.884 -0.493 -3.583 1.00 10.00 C ATOM 421 CD LYS A 42 7.003 0.208 -2.827 1.00 10.00 C ATOM 422 CE LYS A 42 7.609 -0.686 -1.758 1.00 10.00 C ATOM 423 NZ LYS A 42 8.483 -1.743 -2.336 1.00 10.00 N ATOM 0 H LYS A 42 3.856 0.078 -5.280 1.00 10.00 H new ATOM 0 HA LYS A 42 3.600 -2.105 -3.513 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.306 0.802 -2.949 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.608 -0.545 -1.869 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.090 -1.562 -3.631 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.853 -0.128 -4.610 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.780 0.513 -3.528 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.616 1.116 -2.365 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.189 -0.077 -1.064 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.810 -1.153 -1.182 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.115 -2.113 -1.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.894 -2.516 -2.708 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.052 -1.340 -3.108 1.00 10.00 H new ATOM 437 N LEU A 43 1.470 0.365 -3.165 1.00 10.00 N ATOM 438 CA LEU A 43 0.230 0.801 -2.540 1.00 10.00 C ATOM 439 C LEU A 43 -0.898 -0.180 -2.826 1.00 10.00 C ATOM 440 O LEU A 43 -1.759 -0.419 -1.977 1.00 10.00 O ATOM 441 CB LEU A 43 -0.124 2.198 -3.057 1.00 10.00 C ATOM 442 CG LEU A 43 -1.538 2.691 -2.744 1.00 10.00 C ATOM 443 CD1 LEU A 43 -1.499 4.141 -2.300 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.442 2.538 -3.960 1.00 10.00 C ATOM 0 H LEU A 43 1.806 0.989 -3.898 1.00 10.00 H new ATOM 0 HA LEU A 43 0.366 0.837 -1.459 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.588 2.910 -2.639 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.012 2.209 -4.138 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.944 2.084 -1.935 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -2.511 4.481 -2.080 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -0.883 4.231 -1.405 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.075 4.754 -3.095 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.443 2.894 -3.716 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.040 3.122 -4.788 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.491 1.488 -4.247 1.00 10.00 H new ATOM 456 N MET A 44 -0.881 -0.750 -4.021 1.00 10.00 N ATOM 457 CA MET A 44 -1.903 -1.702 -4.428 1.00 10.00 C ATOM 458 C MET A 44 -1.716 -3.041 -3.723 1.00 10.00 C ATOM 459 O MET A 44 -2.675 -3.781 -3.521 1.00 10.00 O ATOM 460 CB MET A 44 -1.869 -1.902 -5.946 1.00 10.00 C ATOM 461 CG MET A 44 -2.133 -0.631 -6.742 1.00 10.00 C ATOM 462 SD MET A 44 -2.612 -0.958 -8.452 1.00 10.00 S ATOM 463 CE MET A 44 -1.153 -1.798 -9.065 1.00 10.00 C ATOM 0 H MET A 44 -0.168 -0.569 -4.728 1.00 10.00 H new ATOM 0 HA MET A 44 -2.874 -1.296 -4.143 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.894 -2.300 -6.228 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.611 -2.652 -6.221 1.00 10.00 H new ATOM 0 HG2 MET A 44 -2.921 -0.059 -6.252 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.237 -0.011 -6.734 1.00 10.00 H new ATOM 0 HE1 MET A 44 -1.332 -2.142 -10.084 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.307 -1.110 -9.058 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.931 -2.654 -8.427 1.00 10.00 H new ATOM 473 N LYS A 45 -0.482 -3.339 -3.339 1.00 10.00 N ATOM 474 CA LYS A 45 -0.171 -4.599 -2.672 1.00 10.00 C ATOM 475 C LYS A 45 -0.278 -4.489 -1.152 1.00 10.00 C ATOM 476 O LYS A 45 -0.921 -5.317 -0.513 1.00 10.00 O ATOM 477 CB LYS A 45 1.241 -5.059 -3.044 1.00 10.00 C ATOM 478 CG LYS A 45 1.444 -5.296 -4.533 1.00 10.00 C ATOM 479 CD LYS A 45 2.856 -5.774 -4.838 1.00 10.00 C ATOM 480 CE LYS A 45 3.897 -4.716 -4.503 1.00 10.00 C ATOM 481 NZ LYS A 45 5.282 -5.194 -4.757 1.00 10.00 N ATOM 0 H LYS A 45 0.321 -2.726 -3.477 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.906 -5.329 -3.011 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.957 -4.310 -2.705 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.465 -5.980 -2.506 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.725 -6.036 -4.885 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.246 -4.374 -5.079 1.00 10.00 H new ATOM 0 HD2 LYS A 45 3.063 -6.680 -4.269 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.931 -6.036 -5.893 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.708 -3.821 -5.096 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.799 -4.430 -3.456 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 5.959 -4.442 -4.515 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.473 -6.032 -4.172 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 5.385 -5.442 -5.762 1.00 10.00 H new ATOM 495 N ALA A 46 0.349 -3.460 -0.588 1.00 10.00 N ATOM 496 CA ALA A 46 0.376 -3.243 0.861 1.00 10.00 C ATOM 497 C ALA A 46 -1.005 -3.323 1.509 1.00 10.00 C ATOM 498 O ALA A 46 -1.212 -4.097 2.446 1.00 10.00 O ATOM 499 CB ALA A 46 1.026 -1.904 1.176 1.00 10.00 C ATOM 0 H ALA A 46 0.854 -2.751 -1.120 1.00 10.00 H new ATOM 0 HA ALA A 46 0.967 -4.054 1.287 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.041 -1.752 2.255 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.047 -1.896 0.794 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.456 -1.103 0.705 1.00 10.00 H new ATOM 505 N TYR A 47 -1.951 -2.536 1.017 1.00 10.00 N ATOM 506 CA TYR A 47 -3.291 -2.533 1.593 1.00 10.00 C ATOM 507 C TYR A 47 -4.029 -3.828 1.273 1.00 10.00 C ATOM 508 O TYR A 47 -4.821 -4.312 2.081 1.00 10.00 O ATOM 509 CB TYR A 47 -4.098 -1.325 1.109 1.00 10.00 C ATOM 510 CG TYR A 47 -5.356 -1.079 1.919 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.585 -0.886 1.299 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.312 -1.041 3.308 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.731 -0.663 2.040 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.451 -0.820 4.053 1.00 10.00 C ATOM 515 CZ TYR A 47 -7.657 -0.631 3.415 1.00 10.00 C ATOM 516 OH TYR A 47 -8.792 -0.405 4.161 1.00 10.00 O ATOM 0 H TYR A 47 -1.820 -1.899 0.231 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.182 -2.459 2.675 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.468 -0.436 1.150 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -4.371 -1.474 0.064 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.646 -0.911 0.221 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.368 -1.187 3.813 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.679 -0.515 1.543 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.398 -0.795 5.131 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.564 -0.415 5.114 1.00 10.00 H new ATOM 526 N CYS A 48 -3.750 -4.400 0.110 1.00 10.00 N ATOM 527 CA CYS A 48 -4.392 -5.638 -0.303 1.00 10.00 C ATOM 528 C CYS A 48 -3.998 -6.777 0.629 1.00 10.00 C ATOM 529 O CYS A 48 -4.831 -7.603 1.012 1.00 10.00 O ATOM 530 CB CYS A 48 -4.008 -5.980 -1.741 1.00 10.00 C ATOM 531 SG CYS A 48 -5.005 -7.294 -2.467 1.00 10.00 S ATOM 0 H CYS A 48 -3.083 -4.025 -0.564 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.472 -5.501 -0.251 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -4.101 -5.084 -2.355 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.959 -6.276 -1.767 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.598 -8.445 -2.020 1.00 10.00 H new ATOM 537 N GLU A 49 -2.723 -6.807 0.998 1.00 10.00 N ATOM 538 CA GLU A 49 -2.207 -7.825 1.898 1.00 10.00 C ATOM 539 C GLU A 49 -2.835 -7.673 3.277 1.00 10.00 C ATOM 540 O GLU A 49 -3.146 -8.660 3.943 1.00 10.00 O ATOM 541 CB GLU A 49 -0.687 -7.724 1.992 1.00 10.00 C ATOM 542 CG GLU A 49 0.035 -8.303 0.787 1.00 10.00 C ATOM 543 CD GLU A 49 0.114 -9.813 0.832 1.00 10.00 C ATOM 544 OE1 GLU A 49 1.010 -10.340 1.524 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.720 -10.481 0.186 1.00 10.00 O ATOM 0 H GLU A 49 -2.025 -6.132 0.684 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.466 -8.807 1.503 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.407 -6.677 2.105 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.351 -8.242 2.890 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.480 -7.996 -0.123 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.043 -7.891 0.738 1.00 10.00 H new ATOM 552 N ARG A 50 -3.036 -6.427 3.694 1.00 10.00 N ATOM 553 CA ARG A 50 -3.646 -6.149 4.986 1.00 10.00 C ATOM 554 C ARG A 50 -5.111 -6.571 4.981 1.00 10.00 C ATOM 555 O ARG A 50 -5.663 -6.942 6.014 1.00 10.00 O ATOM 556 CB ARG A 50 -3.517 -4.669 5.342 1.00 10.00 C ATOM 557 CG ARG A 50 -2.157 -4.300 5.915 1.00 10.00 C ATOM 558 CD ARG A 50 -2.158 -2.895 6.491 1.00 10.00 C ATOM 559 NE ARG A 50 -0.875 -2.541 7.096 1.00 10.00 N ATOM 560 CZ ARG A 50 -0.691 -1.477 7.880 1.00 10.00 C ATOM 561 NH1 ARG A 50 -1.704 -0.666 8.156 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.507 -1.227 8.394 1.00 10.00 N ATOM 0 H ARG A 50 -2.786 -5.597 3.157 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.118 -6.727 5.745 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.701 -4.071 4.449 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.290 -4.408 6.065 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.883 -5.013 6.693 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.400 -4.374 5.134 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.394 -2.181 5.701 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.945 -2.813 7.240 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.073 -3.143 6.908 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.628 -0.855 7.768 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -1.558 0.146 8.756 1.00 10.00 H new ATOM 0 HH21 ARG A 50 1.289 -1.849 8.190 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.645 -0.413 8.993 1.00 10.00 H new ATOM 576 N GLN A 51 -5.734 -6.520 3.809 1.00 10.00 N ATOM 577 CA GLN A 51 -7.129 -6.918 3.668 1.00 10.00 C ATOM 578 C GLN A 51 -7.238 -8.437 3.545 1.00 10.00 C ATOM 579 O GLN A 51 -8.326 -9.005 3.646 1.00 10.00 O ATOM 580 CB GLN A 51 -7.762 -6.243 2.446 1.00 10.00 C ATOM 581 CG GLN A 51 -8.241 -4.822 2.715 1.00 10.00 C ATOM 582 CD GLN A 51 -9.464 -4.782 3.611 1.00 10.00 C ATOM 583 OE1 GLN A 51 -9.353 -4.706 4.836 1.00 10.00 O ATOM 584 NE2 GLN A 51 -10.640 -4.827 3.009 1.00 10.00 N ATOM 0 H GLN A 51 -5.295 -6.207 2.943 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.669 -6.598 4.559 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.035 -6.225 1.634 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.605 -6.844 2.106 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -7.436 -4.252 3.179 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.472 -4.334 1.768 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.690 -4.890 1.992 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -11.497 -4.799 3.561 1.00 10.00 H new ATOM 593 N GLY A 52 -6.097 -9.086 3.336 1.00 10.00 N ATOM 594 CA GLY A 52 -6.057 -10.533 3.214 1.00 10.00 C ATOM 595 C GLY A 52 -6.697 -11.036 1.935 1.00 10.00 C ATOM 596 O GLY A 52 -7.459 -12.007 1.956 1.00 10.00 O ATOM 0 H GLY A 52 -5.189 -8.630 3.248 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.020 -10.867 3.251 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.566 -10.979 4.069 1.00 10.00 H new ATOM 600 N LEU A 53 -6.386 -10.383 0.823 1.00 10.00 N ATOM 601 CA LEU A 53 -6.938 -10.764 -0.473 1.00 10.00 C ATOM 602 C LEU A 53 -5.891 -10.606 -1.573 1.00 10.00 C ATOM 603 O LEU A 53 -4.814 -10.050 -1.343 1.00 10.00 O ATOM 604 CB LEU A 53 -8.161 -9.901 -0.805 1.00 10.00 C ATOM 605 CG LEU A 53 -9.401 -10.141 0.061 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.413 -9.025 -0.137 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.029 -11.489 -0.263 1.00 10.00 C ATOM 0 H LEU A 53 -5.752 -9.584 0.791 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.238 -11.810 -0.418 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.877 -8.852 -0.717 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.430 -10.072 -1.847 1.00 10.00 H new ATOM 0 HG LEU A 53 -9.092 -10.147 1.106 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.288 -9.212 0.486 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.964 -8.073 0.144 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.714 -8.989 -1.184 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.908 -11.641 0.363 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.322 -11.511 -1.313 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.306 -12.282 -0.072 1.00 10.00 H new ATOM 619 N SER A 54 -6.210 -11.092 -2.765 1.00 10.00 N ATOM 620 CA SER A 54 -5.307 -10.992 -3.901 1.00 10.00 C ATOM 621 C SER A 54 -5.554 -9.687 -4.651 1.00 10.00 C ATOM 622 O SER A 54 -6.699 -9.254 -4.797 1.00 10.00 O ATOM 623 CB SER A 54 -5.492 -12.185 -4.843 1.00 10.00 C ATOM 624 OG SER A 54 -4.698 -12.046 -6.010 1.00 10.00 O ATOM 0 H SER A 54 -7.092 -11.561 -2.970 1.00 10.00 H new ATOM 0 HA SER A 54 -4.282 -11.001 -3.531 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.223 -13.106 -4.325 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.542 -12.271 -5.123 1.00 10.00 H new ATOM 0 HG SER A 54 -4.834 -12.822 -6.593 1.00 10.00 H new ATOM 630 N MET A 55 -4.480 -9.076 -5.144 1.00 10.00 N ATOM 631 CA MET A 55 -4.566 -7.807 -5.867 1.00 10.00 C ATOM 632 C MET A 55 -5.367 -7.959 -7.159 1.00 10.00 C ATOM 633 O MET A 55 -5.836 -6.974 -7.731 1.00 10.00 O ATOM 634 CB MET A 55 -3.161 -7.288 -6.178 1.00 10.00 C ATOM 635 CG MET A 55 -3.110 -5.801 -6.488 1.00 10.00 C ATOM 636 SD MET A 55 -1.443 -5.232 -6.879 1.00 10.00 S ATOM 637 CE MET A 55 -1.135 -6.100 -8.415 1.00 10.00 C ATOM 0 H MET A 55 -3.532 -9.442 -5.056 1.00 10.00 H new ATOM 0 HA MET A 55 -5.084 -7.089 -5.232 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.511 -7.495 -5.328 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.760 -7.841 -7.028 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.770 -5.586 -7.328 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.490 -5.242 -5.633 1.00 10.00 H new ATOM 0 HE1 MET A 55 -0.295 -5.636 -8.933 1.00 10.00 H new ATOM 0 HE2 MET A 55 -0.899 -7.143 -8.203 1.00 10.00 H new ATOM 0 HE3 MET A 55 -2.023 -6.050 -9.046 1.00 10.00 H new ATOM 647 N ARG A 56 -5.536 -9.200 -7.598 1.00 10.00 N ATOM 648 CA ARG A 56 -6.283 -9.498 -8.815 1.00 10.00 C ATOM 649 C ARG A 56 -7.788 -9.348 -8.585 1.00 10.00 C ATOM 650 O ARG A 56 -8.567 -9.251 -9.534 1.00 10.00 O ATOM 651 CB ARG A 56 -5.954 -10.923 -9.278 1.00 10.00 C ATOM 652 CG ARG A 56 -6.602 -11.322 -10.593 1.00 10.00 C ATOM 653 CD ARG A 56 -6.128 -12.693 -11.045 1.00 10.00 C ATOM 654 NE ARG A 56 -6.773 -13.118 -12.288 1.00 10.00 N ATOM 655 CZ ARG A 56 -6.292 -12.861 -13.503 1.00 10.00 C ATOM 656 NH1 ARG A 56 -5.159 -12.181 -13.645 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.940 -13.289 -14.577 1.00 10.00 N ATOM 0 H ARG A 56 -5.163 -10.023 -7.125 1.00 10.00 H new ATOM 0 HA ARG A 56 -5.992 -8.788 -9.589 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.873 -11.019 -9.376 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.268 -11.624 -8.505 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.686 -11.328 -10.480 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.365 -10.582 -11.358 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -5.047 -12.674 -11.186 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.334 -13.423 -10.262 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.645 -13.643 -12.220 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.654 -11.854 -12.821 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -4.794 -11.987 -14.578 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -7.807 -13.815 -14.473 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.571 -13.092 -15.507 1.00 10.00 H new ATOM 671 N GLN A 57 -8.189 -9.298 -7.322 1.00 10.00 N ATOM 672 CA GLN A 57 -9.600 -9.179 -6.970 1.00 10.00 C ATOM 673 C GLN A 57 -10.053 -7.721 -6.916 1.00 10.00 C ATOM 674 O GLN A 57 -11.231 -7.422 -7.118 1.00 10.00 O ATOM 675 CB GLN A 57 -9.859 -9.853 -5.621 1.00 10.00 C ATOM 676 CG GLN A 57 -11.323 -9.862 -5.208 1.00 10.00 C ATOM 677 CD GLN A 57 -11.568 -10.644 -3.934 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.872 -11.613 -3.642 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.561 -10.229 -3.169 1.00 10.00 N ATOM 0 H GLN A 57 -7.557 -9.338 -6.522 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.178 -9.677 -7.749 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.497 -10.880 -5.664 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.278 -9.342 -4.853 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.663 -8.836 -5.070 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.920 -10.291 -6.013 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.115 -9.419 -3.448 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.774 -10.718 -2.299 1.00 10.00 H new ATOM 688 N ILE A 58 -9.123 -6.815 -6.661 1.00 10.00 N ATOM 689 CA ILE A 58 -9.460 -5.401 -6.559 1.00 10.00 C ATOM 690 C ILE A 58 -9.039 -4.621 -7.798 1.00 10.00 C ATOM 691 O ILE A 58 -8.244 -5.096 -8.609 1.00 10.00 O ATOM 692 CB ILE A 58 -8.818 -4.751 -5.319 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.356 -5.188 -5.180 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.615 -5.093 -4.069 1.00 10.00 C ATOM 695 CD1 ILE A 58 -6.670 -4.635 -3.952 1.00 10.00 C ATOM 0 H ILE A 58 -8.136 -7.029 -6.521 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.545 -5.358 -6.467 1.00 10.00 H new ATOM 0 HB ILE A 58 -8.834 -3.668 -5.444 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.313 -6.277 -5.150 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -6.806 -4.872 -6.066 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.149 -4.626 -3.201 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -10.635 -4.724 -4.175 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.633 -6.174 -3.934 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -5.639 -4.987 -3.922 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -6.680 -3.546 -3.989 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.195 -4.973 -3.059 1.00 10.00 H new ATOM 707 N ARG A 59 -9.600 -3.428 -7.938 1.00 10.00 N ATOM 708 CA ARG A 59 -9.299 -2.541 -9.053 1.00 10.00 C ATOM 709 C ARG A 59 -9.109 -1.122 -8.537 1.00 10.00 C ATOM 710 O ARG A 59 -9.955 -0.602 -7.807 1.00 10.00 O ATOM 711 CB ARG A 59 -10.423 -2.566 -10.094 1.00 10.00 C ATOM 712 CG ARG A 59 -10.505 -3.856 -10.891 1.00 10.00 C ATOM 713 CD ARG A 59 -9.188 -4.175 -11.583 1.00 10.00 C ATOM 714 NE ARG A 59 -9.295 -5.355 -12.433 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.127 -6.603 -12.003 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.842 -6.843 -10.727 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.249 -7.614 -12.849 1.00 10.00 N ATOM 0 H ARG A 59 -10.279 -3.047 -7.279 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.382 -2.886 -9.531 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.375 -2.403 -9.588 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.282 -1.734 -10.784 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.776 -4.677 -10.227 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.297 -3.774 -11.636 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.877 -3.321 -12.184 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.413 -4.336 -10.833 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.512 -5.215 -13.420 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.751 -6.068 -10.070 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.715 -7.802 -10.405 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.471 -7.435 -13.828 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.121 -8.571 -12.521 1.00 10.00 H new ATOM 731 N PHE A 60 -8.002 -0.504 -8.909 1.00 10.00 N ATOM 732 CA PHE A 60 -7.704 0.849 -8.464 1.00 10.00 C ATOM 733 C PHE A 60 -7.987 1.859 -9.562 1.00 10.00 C ATOM 734 O PHE A 60 -7.695 1.615 -10.738 1.00 10.00 O ATOM 735 CB PHE A 60 -6.245 0.954 -8.025 1.00 10.00 C ATOM 736 CG PHE A 60 -5.938 0.186 -6.777 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.753 -1.186 -6.819 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.834 0.836 -5.561 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.473 -1.894 -5.672 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.553 0.132 -4.409 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.373 -1.235 -4.463 1.00 10.00 C ATOM 0 H PHE A 60 -7.294 -0.916 -9.517 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.350 1.073 -7.615 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.605 0.593 -8.830 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.997 2.003 -7.866 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.829 -1.706 -7.762 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -5.974 1.906 -5.513 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.332 -2.964 -5.718 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.474 0.650 -3.465 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.154 -1.788 -3.562 1.00 10.00 H new ATOM 751 N ARG A 61 -8.563 2.989 -9.181 1.00 10.00 N ATOM 752 CA ARG A 61 -8.880 4.038 -10.134 1.00 10.00 C ATOM 753 C ARG A 61 -8.439 5.399 -9.617 1.00 10.00 C ATOM 754 O ARG A 61 -8.636 5.731 -8.448 1.00 10.00 O ATOM 755 CB ARG A 61 -10.377 4.058 -10.443 1.00 10.00 C ATOM 756 CG ARG A 61 -10.842 2.889 -11.294 1.00 10.00 C ATOM 757 CD ARG A 61 -12.289 3.060 -11.724 1.00 10.00 C ATOM 758 NE ARG A 61 -12.799 1.882 -12.424 1.00 10.00 N ATOM 759 CZ ARG A 61 -14.066 1.745 -12.819 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.946 2.711 -12.585 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.455 0.638 -13.444 1.00 10.00 N ATOM 0 H ARG A 61 -8.820 3.202 -8.217 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.335 3.823 -11.053 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.932 4.056 -9.505 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.620 4.988 -10.956 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.206 2.803 -12.175 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.735 1.962 -10.731 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.906 3.255 -10.847 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.373 3.931 -12.373 1.00 10.00 H new ATOM 0 HE ARG A 61 -12.149 1.121 -12.622 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.654 3.561 -12.102 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.914 2.604 -12.888 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.784 -0.109 -13.623 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.424 0.536 -13.745 1.00 10.00 H new ATOM 775 N PHE A 62 -7.822 6.164 -10.500 1.00 10.00 N ATOM 776 CA PHE A 62 -7.354 7.500 -10.187 1.00 10.00 C ATOM 777 C PHE A 62 -7.697 8.417 -11.348 1.00 10.00 C ATOM 778 O PHE A 62 -7.399 8.094 -12.502 1.00 10.00 O ATOM 779 CB PHE A 62 -5.844 7.503 -9.937 1.00 10.00 C ATOM 780 CG PHE A 62 -5.296 8.858 -9.588 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.586 9.442 -8.366 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.493 9.547 -10.482 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.088 10.689 -8.042 1.00 10.00 C ATOM 784 CE2 PHE A 62 -3.993 10.794 -10.163 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.291 11.365 -8.941 1.00 10.00 C ATOM 0 H PHE A 62 -7.631 5.873 -11.459 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.841 7.851 -9.278 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.616 6.809 -9.128 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.336 7.133 -10.827 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.209 8.916 -7.658 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.256 9.104 -11.438 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.323 11.134 -7.086 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.369 11.323 -10.869 1.00 10.00 H new ATOM 0 HZ PHE A 62 -3.900 12.340 -8.690 1.00 10.00 H new ATOM 795 N ASP A 63 -8.345 9.538 -11.048 1.00 10.00 N ATOM 796 CA ASP A 63 -8.752 10.498 -12.074 1.00 10.00 C ATOM 797 C ASP A 63 -9.791 9.856 -12.991 1.00 10.00 C ATOM 798 O ASP A 63 -9.940 10.218 -14.160 1.00 10.00 O ATOM 799 CB ASP A 63 -7.534 10.986 -12.871 1.00 10.00 C ATOM 800 CG ASP A 63 -7.853 12.138 -13.804 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.535 13.090 -13.372 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.414 12.099 -14.975 1.00 10.00 O ATOM 0 H ASP A 63 -8.602 9.807 -10.098 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.201 11.368 -11.594 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.753 11.295 -12.176 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.132 10.156 -13.453 1.00 10.00 H new ATOM 807 N GLY A 64 -10.511 8.884 -12.441 1.00 10.00 N ATOM 808 CA GLY A 64 -11.530 8.181 -13.192 1.00 10.00 C ATOM 809 C GLY A 64 -10.948 7.161 -14.151 1.00 10.00 C ATOM 810 O GLY A 64 -11.674 6.545 -14.929 1.00 10.00 O ATOM 0 H GLY A 64 -10.403 8.569 -11.477 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.205 7.679 -12.499 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.126 8.902 -13.752 1.00 10.00 H new ATOM 814 N GLN A 65 -9.635 6.979 -14.095 1.00 10.00 N ATOM 815 CA GLN A 65 -8.955 6.035 -14.972 1.00 10.00 C ATOM 816 C GLN A 65 -8.248 4.958 -14.151 1.00 10.00 C ATOM 817 O GLN A 65 -7.763 5.230 -13.055 1.00 10.00 O ATOM 818 CB GLN A 65 -7.928 6.764 -15.847 1.00 10.00 C ATOM 819 CG GLN A 65 -8.394 8.122 -16.351 1.00 10.00 C ATOM 820 CD GLN A 65 -9.523 8.023 -17.356 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.592 7.076 -18.142 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.422 8.992 -17.328 1.00 10.00 N ATOM 0 H GLN A 65 -9.019 7.474 -13.450 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.703 5.565 -15.611 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -7.009 6.896 -15.276 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.684 6.135 -16.703 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.720 8.726 -15.504 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.552 8.643 -16.808 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.326 9.757 -16.661 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.211 8.974 -17.974 1.00 10.00 H new ATOM 831 N PRO A 66 -8.198 3.714 -14.653 1.00 10.00 N ATOM 832 CA PRO A 66 -7.522 2.614 -13.960 1.00 10.00 C ATOM 833 C PRO A 66 -6.016 2.861 -13.847 1.00 10.00 C ATOM 834 O PRO A 66 -5.420 3.512 -14.708 1.00 10.00 O ATOM 835 CB PRO A 66 -7.802 1.390 -14.847 1.00 10.00 C ATOM 836 CG PRO A 66 -8.930 1.789 -15.731 1.00 10.00 C ATOM 837 CD PRO A 66 -8.805 3.273 -15.919 1.00 10.00 C ATOM 0 HA PRO A 66 -7.879 2.493 -12.937 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.922 1.119 -15.431 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.064 0.520 -14.244 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.878 1.269 -16.688 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.889 1.532 -15.280 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.178 3.520 -16.776 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.774 3.742 -16.087 1.00 10.00 H new ATOM 845 N ILE A 67 -5.409 2.359 -12.780 1.00 10.00 N ATOM 846 CA ILE A 67 -3.978 2.536 -12.566 1.00 10.00 C ATOM 847 C ILE A 67 -3.209 1.306 -13.040 1.00 10.00 C ATOM 848 O ILE A 67 -3.695 0.178 -12.921 1.00 10.00 O ATOM 849 CB ILE A 67 -3.653 2.795 -11.076 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.641 3.800 -10.475 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.222 3.298 -10.919 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.443 4.033 -8.994 1.00 10.00 C ATOM 0 H ILE A 67 -5.883 1.827 -12.050 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.671 3.407 -13.146 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.749 1.852 -10.537 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.544 4.750 -11.000 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.657 3.444 -10.646 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.012 3.475 -9.864 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.529 2.551 -11.307 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.100 4.228 -11.474 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.177 4.755 -8.638 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.570 3.093 -8.458 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.439 4.419 -8.817 1.00 10.00 H new ATOM 864 N ASN A 68 -2.020 1.530 -13.590 1.00 10.00 N ATOM 865 CA ASN A 68 -1.179 0.442 -14.077 1.00 10.00 C ATOM 866 C ASN A 68 -0.213 -0.003 -12.983 1.00 10.00 C ATOM 867 O ASN A 68 -0.311 0.445 -11.840 1.00 10.00 O ATOM 868 CB ASN A 68 -0.388 0.884 -15.315 1.00 10.00 C ATOM 869 CG ASN A 68 -1.191 0.794 -16.600 1.00 10.00 C ATOM 870 OD1 ASN A 68 -1.173 -0.228 -17.287 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.891 1.866 -16.940 1.00 10.00 N ATOM 0 H ASN A 68 -1.616 2.459 -13.710 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.823 -0.393 -14.352 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.051 1.911 -15.176 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.505 0.266 -15.408 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.442 1.864 -17.799 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.879 2.693 -16.343 1.00 10.00 H new ATOM 878 N GLU A 69 0.722 -0.876 -13.331 1.00 10.00 N ATOM 879 CA GLU A 69 1.712 -1.365 -12.373 1.00 10.00 C ATOM 880 C GLU A 69 3.076 -0.740 -12.661 1.00 10.00 C ATOM 881 O GLU A 69 4.121 -1.302 -12.324 1.00 10.00 O ATOM 882 CB GLU A 69 1.805 -2.893 -12.431 1.00 10.00 C ATOM 883 CG GLU A 69 0.549 -3.601 -11.942 1.00 10.00 C ATOM 884 CD GLU A 69 0.640 -5.109 -12.060 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.578 -5.704 -11.487 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.234 -5.712 -12.721 1.00 10.00 O ATOM 0 H GLU A 69 0.818 -1.262 -14.270 1.00 10.00 H new ATOM 0 HA GLU A 69 1.398 -1.076 -11.370 1.00 10.00 H new ATOM 0 HB2 GLU A 69 2.006 -3.197 -13.458 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.653 -3.220 -11.830 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.369 -3.333 -10.901 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.308 -3.248 -12.515 1.00 10.00 H new ATOM 893 N THR A 70 3.049 0.429 -13.289 1.00 10.00 N ATOM 894 CA THR A 70 4.266 1.149 -13.641 1.00 10.00 C ATOM 895 C THR A 70 4.083 2.656 -13.481 1.00 10.00 C ATOM 896 O THR A 70 4.802 3.445 -14.093 1.00 10.00 O ATOM 897 CB THR A 70 4.668 0.855 -15.102 1.00 10.00 C ATOM 898 OG1 THR A 70 3.519 0.415 -15.845 1.00 10.00 O ATOM 899 CG2 THR A 70 5.758 -0.201 -15.171 1.00 10.00 C ATOM 0 H THR A 70 2.189 0.902 -13.567 1.00 10.00 H new ATOM 0 HA THR A 70 5.049 0.808 -12.964 1.00 10.00 H new ATOM 0 HB THR A 70 5.057 1.775 -15.538 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.779 0.231 -16.772 1.00 10.00 H new ATOM 0 HG21 THR A 70 6.020 -0.386 -16.213 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.639 0.149 -14.632 1.00 10.00 H new ATOM 0 HG23 THR A 70 5.399 -1.125 -14.717 1.00 10.00 H new ATOM 907 N ASP A 71 3.142 3.054 -12.637 1.00 10.00 N ATOM 908 CA ASP A 71 2.861 4.469 -12.434 1.00 10.00 C ATOM 909 C ASP A 71 3.364 4.946 -11.079 1.00 10.00 C ATOM 910 O ASP A 71 3.363 4.191 -10.105 1.00 10.00 O ATOM 911 CB ASP A 71 1.356 4.741 -12.545 1.00 10.00 C ATOM 912 CG ASP A 71 0.802 4.467 -13.931 1.00 10.00 C ATOM 913 OD1 ASP A 71 1.493 4.770 -14.928 1.00 10.00 O ATOM 914 OD2 ASP A 71 -0.335 3.952 -14.028 1.00 10.00 O ATOM 0 H ASP A 71 2.563 2.422 -12.084 1.00 10.00 H new ATOM 0 HA ASP A 71 3.387 5.021 -13.213 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.827 4.123 -11.820 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.160 5.780 -12.281 1.00 10.00 H new ATOM 919 N THR A 72 3.799 6.198 -11.031 1.00 10.00 N ATOM 920 CA THR A 72 4.292 6.802 -9.802 1.00 10.00 C ATOM 921 C THR A 72 3.490 8.067 -9.489 1.00 10.00 C ATOM 922 O THR A 72 2.839 8.624 -10.378 1.00 10.00 O ATOM 923 CB THR A 72 5.790 7.162 -9.917 1.00 10.00 C ATOM 924 OG1 THR A 72 6.021 7.949 -11.093 1.00 10.00 O ATOM 925 CG2 THR A 72 6.655 5.911 -9.965 1.00 10.00 C ATOM 0 H THR A 72 3.820 6.820 -11.839 1.00 10.00 H new ATOM 0 HA THR A 72 4.172 6.076 -8.998 1.00 10.00 H new ATOM 0 HB THR A 72 6.063 7.738 -9.033 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.973 8.173 -11.155 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.704 6.197 -10.046 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.506 5.331 -9.054 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.375 5.308 -10.829 1.00 10.00 H new ATOM 933 N PRO A 73 3.512 8.540 -8.228 1.00 10.00 N ATOM 934 CA PRO A 73 2.785 9.751 -7.831 1.00 10.00 C ATOM 935 C PRO A 73 3.192 10.958 -8.669 1.00 10.00 C ATOM 936 O PRO A 73 2.364 11.804 -9.009 1.00 10.00 O ATOM 937 CB PRO A 73 3.190 9.956 -6.367 1.00 10.00 C ATOM 938 CG PRO A 73 3.621 8.612 -5.896 1.00 10.00 C ATOM 939 CD PRO A 73 4.225 7.928 -7.091 1.00 10.00 C ATOM 0 HA PRO A 73 1.709 9.646 -7.972 1.00 10.00 H new ATOM 0 HB2 PRO A 73 3.997 10.683 -6.279 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.356 10.333 -5.776 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.346 8.696 -5.087 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.775 8.045 -5.508 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.300 8.098 -7.151 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.075 6.849 -7.056 1.00 10.00 H new ATOM 947 N ALA A 74 4.473 11.025 -9.006 1.00 10.00 N ATOM 948 CA ALA A 74 4.996 12.118 -9.811 1.00 10.00 C ATOM 949 C ALA A 74 4.513 12.007 -11.254 1.00 10.00 C ATOM 950 O ALA A 74 4.123 12.998 -11.866 1.00 10.00 O ATOM 951 CB ALA A 74 6.518 12.130 -9.761 1.00 10.00 C ATOM 0 H ALA A 74 5.170 10.332 -8.733 1.00 10.00 H new ATOM 0 HA ALA A 74 4.625 13.056 -9.398 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.895 12.953 -10.368 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.847 12.259 -8.730 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.902 11.187 -10.149 1.00 10.00 H new ATOM 957 N GLN A 75 4.519 10.788 -11.783 1.00 10.00 N ATOM 958 CA GLN A 75 4.093 10.543 -13.156 1.00 10.00 C ATOM 959 C GLN A 75 2.637 10.947 -13.375 1.00 10.00 C ATOM 960 O GLN A 75 2.315 11.619 -14.352 1.00 10.00 O ATOM 961 CB GLN A 75 4.281 9.066 -13.511 1.00 10.00 C ATOM 962 CG GLN A 75 3.884 8.721 -14.939 1.00 10.00 C ATOM 963 CD GLN A 75 4.788 9.363 -15.977 1.00 10.00 C ATOM 964 OE1 GLN A 75 5.959 9.646 -15.717 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.248 9.598 -17.163 1.00 10.00 N ATOM 0 H GLN A 75 4.815 9.952 -11.280 1.00 10.00 H new ATOM 0 HA GLN A 75 4.714 11.157 -13.809 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.326 8.796 -13.359 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.692 8.459 -12.824 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.906 7.639 -15.065 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.856 9.041 -15.112 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.275 9.349 -17.339 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.805 10.028 -17.901 1.00 10.00 H new ATOM 974 N LEU A 76 1.768 10.558 -12.452 1.00 10.00 N ATOM 975 CA LEU A 76 0.346 10.863 -12.573 1.00 10.00 C ATOM 976 C LEU A 76 0.005 12.256 -12.039 1.00 10.00 C ATOM 977 O LEU A 76 -1.173 12.608 -11.940 1.00 10.00 O ATOM 978 CB LEU A 76 -0.488 9.807 -11.844 1.00 10.00 C ATOM 979 CG LEU A 76 -0.395 8.388 -12.415 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.280 7.442 -11.622 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.784 8.368 -13.888 1.00 10.00 C ATOM 0 H LEU A 76 2.019 10.033 -11.614 1.00 10.00 H new ATOM 0 HA LEU A 76 0.104 10.850 -13.636 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.178 9.781 -10.799 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.532 10.119 -11.859 1.00 10.00 H new ATOM 0 HG LEU A 76 0.639 8.054 -12.332 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.204 6.438 -12.039 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.957 7.428 -10.581 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.315 7.780 -11.677 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.710 7.350 -14.270 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.808 8.723 -13.999 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.112 9.016 -14.451 1.00 10.00 H new ATOM 993 N GLU A 77 1.032 13.041 -11.704 1.00 10.00 N ATOM 994 CA GLU A 77 0.838 14.401 -11.185 1.00 10.00 C ATOM 995 C GLU A 77 -0.093 14.397 -9.972 1.00 10.00 C ATOM 996 O GLU A 77 -1.054 15.168 -9.902 1.00 10.00 O ATOM 997 CB GLU A 77 0.269 15.319 -12.277 1.00 10.00 C ATOM 998 CG GLU A 77 1.172 15.463 -13.489 1.00 10.00 C ATOM 999 CD GLU A 77 2.465 16.188 -13.177 1.00 10.00 C ATOM 1000 OE1 GLU A 77 2.478 17.025 -12.248 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.475 15.928 -13.866 1.00 10.00 O ATOM 0 H GLU A 77 2.009 12.759 -11.782 1.00 10.00 H new ATOM 0 HA GLU A 77 1.811 14.781 -10.874 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.697 14.929 -12.599 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.088 16.306 -11.851 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.402 14.474 -13.884 1.00 10.00 H new ATOM 0 HG3 GLU A 77 0.638 16.002 -14.272 1.00 10.00 H new ATOM 1008 N MET A 78 0.202 13.528 -9.017 1.00 10.00 N ATOM 1009 CA MET A 78 -0.611 13.411 -7.815 1.00 10.00 C ATOM 1010 C MET A 78 -0.204 14.446 -6.780 1.00 10.00 C ATOM 1011 O MET A 78 0.981 14.759 -6.628 1.00 10.00 O ATOM 1012 CB MET A 78 -0.490 12.006 -7.224 1.00 10.00 C ATOM 1013 CG MET A 78 -0.848 10.904 -8.207 1.00 10.00 C ATOM 1014 SD MET A 78 -0.834 9.265 -7.462 1.00 10.00 S ATOM 1015 CE MET A 78 -2.172 9.426 -6.282 1.00 10.00 C ATOM 0 H MET A 78 0.999 12.893 -9.051 1.00 10.00 H new ATOM 0 HA MET A 78 -1.649 13.591 -8.093 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.531 11.854 -6.875 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.139 11.930 -6.352 1.00 10.00 H new ATOM 0 HG2 MET A 78 -1.837 11.101 -8.620 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.145 10.925 -9.040 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.815 9.155 -5.288 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.526 10.457 -6.272 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.990 8.764 -6.567 1.00 10.00 H new ATOM 1025 N GLU A 79 -1.190 14.977 -6.079 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.961 15.977 -5.051 1.00 10.00 C ATOM 1027 C GLU A 79 -1.194 15.352 -3.680 1.00 10.00 C ATOM 1028 O GLU A 79 -1.578 14.184 -3.584 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.907 17.169 -5.247 1.00 10.00 C ATOM 1030 CG GLU A 79 -1.905 17.738 -6.656 1.00 10.00 C ATOM 1031 CD GLU A 79 -0.785 18.732 -6.887 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -0.750 19.767 -6.191 1.00 10.00 O ATOM 1033 OE2 GLU A 79 0.056 18.492 -7.777 1.00 10.00 O ATOM 0 H GLU A 79 -2.171 14.728 -6.206 1.00 10.00 H new ATOM 0 HA GLU A 79 0.067 16.333 -5.122 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.921 16.860 -4.993 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.630 17.958 -4.548 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.813 16.922 -7.372 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.861 18.224 -6.848 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.955 16.112 -2.622 1.00 10.00 N ATOM 1041 CA ASP A 80 -1.169 15.607 -1.272 1.00 10.00 C ATOM 1042 C ASP A 80 -2.663 15.433 -1.035 1.00 10.00 C ATOM 1043 O ASP A 80 -3.470 16.206 -1.557 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.575 16.557 -0.223 1.00 10.00 C ATOM 1045 CG ASP A 80 -0.081 15.830 1.019 1.00 10.00 C ATOM 1046 OD1 ASP A 80 0.959 15.136 0.937 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -0.709 15.969 2.090 1.00 10.00 O ATOM 0 H ASP A 80 -0.616 17.073 -2.669 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.664 14.646 -1.173 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.252 17.110 -0.668 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -1.329 17.289 0.066 1.00 10.00 H new ATOM 1052 N GLU A 81 -3.019 14.387 -0.290 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.413 14.076 0.037 1.00 10.00 C ATOM 1054 C GLU A 81 -5.180 13.547 -1.170 1.00 10.00 C ATOM 1055 O GLU A 81 -6.410 13.467 -1.134 1.00 10.00 O ATOM 1056 CB GLU A 81 -5.143 15.299 0.595 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.741 15.675 2.005 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.770 16.565 2.660 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -5.624 17.802 2.598 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -6.748 16.027 3.221 1.00 10.00 O ATOM 0 H GLU A 81 -2.348 13.729 0.106 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.379 13.297 0.799 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.958 16.149 -0.062 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.216 15.108 0.574 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.610 14.771 2.600 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -3.778 16.185 1.985 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.468 13.179 -2.229 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.117 12.658 -3.428 1.00 10.00 C ATOM 1069 C ASP A 82 -5.736 11.298 -3.136 1.00 10.00 C ATOM 1070 O ASP A 82 -5.029 10.302 -2.959 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.137 12.561 -4.601 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.515 13.484 -5.748 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.716 13.809 -5.888 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.617 13.896 -6.516 1.00 10.00 O ATOM 0 H ASP A 82 -3.451 13.231 -2.283 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.905 13.355 -3.715 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.134 12.808 -4.254 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.105 11.533 -4.961 1.00 10.00 H new ATOM 1079 N THR A 83 -7.056 11.281 -3.045 1.00 10.00 N ATOM 1080 CA THR A 83 -7.802 10.070 -2.754 1.00 10.00 C ATOM 1081 C THR A 83 -7.825 9.119 -3.949 1.00 10.00 C ATOM 1082 O THR A 83 -8.054 9.538 -5.084 1.00 10.00 O ATOM 1083 CB THR A 83 -9.250 10.417 -2.358 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.304 11.753 -1.831 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.778 9.440 -1.320 1.00 10.00 C ATOM 0 H THR A 83 -7.640 12.108 -3.171 1.00 10.00 H new ATOM 0 HA THR A 83 -7.299 9.572 -1.926 1.00 10.00 H new ATOM 0 HB THR A 83 -9.874 10.348 -3.249 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.227 11.970 -1.582 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.802 9.706 -1.057 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.760 8.430 -1.729 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.152 9.482 -0.429 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.582 7.843 -3.683 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.584 6.824 -4.723 1.00 10.00 C ATOM 1095 C ILE A 84 -8.762 5.875 -4.527 1.00 10.00 C ATOM 1096 O ILE A 84 -8.939 5.306 -3.445 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.269 6.016 -4.726 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.068 6.956 -4.882 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.280 4.973 -5.835 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.732 6.251 -4.821 1.00 10.00 C ATOM 0 H ILE A 84 -7.380 7.487 -2.749 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.677 7.333 -5.683 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.182 5.496 -3.772 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.149 7.480 -5.834 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.106 7.712 -4.098 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.344 4.415 -5.819 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.114 4.288 -5.682 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.390 5.469 -6.800 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -2.930 6.980 -4.939 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.629 5.750 -3.858 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.673 5.514 -5.622 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.556 5.710 -5.576 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.730 4.842 -5.532 1.00 10.00 C ATOM 1114 C ASP A 85 -10.338 3.373 -5.597 1.00 10.00 C ATOM 1115 O ASP A 85 -9.507 2.975 -6.418 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.678 5.164 -6.688 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.638 6.287 -6.363 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.533 6.079 -5.519 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.512 7.373 -6.964 1.00 10.00 O ATOM 0 H ASP A 85 -9.409 6.169 -6.475 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.235 5.026 -4.584 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.093 5.435 -7.567 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.246 4.270 -6.946 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.940 2.574 -4.727 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.671 1.145 -4.682 1.00 10.00 C ATOM 1126 C VAL A 86 -11.958 0.350 -4.886 1.00 10.00 C ATOM 1127 O VAL A 86 -12.872 0.400 -4.061 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.021 0.727 -3.343 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.640 -0.748 -3.367 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.803 1.587 -3.042 1.00 10.00 C ATOM 0 H VAL A 86 -11.622 2.894 -4.039 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.972 0.925 -5.489 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.752 0.881 -2.549 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.184 -1.022 -2.415 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.533 -1.352 -3.529 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.930 -0.927 -4.174 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.362 1.275 -2.095 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.069 1.471 -3.840 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.103 2.633 -2.975 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.033 -0.366 -5.995 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.197 -1.177 -6.310 1.00 10.00 C ATOM 1142 C PHE A 87 -12.789 -2.639 -6.399 1.00 10.00 C ATOM 1143 O PHE A 87 -11.624 -2.974 -6.183 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.828 -0.730 -7.632 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.285 0.702 -7.631 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.441 1.073 -6.968 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.556 1.676 -8.295 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.862 2.388 -6.962 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.973 2.994 -8.295 1.00 10.00 C ATOM 1150 CZ PHE A 87 -15.128 3.350 -7.628 1.00 10.00 C ATOM 0 H PHE A 87 -11.295 -0.402 -6.698 1.00 10.00 H new ATOM 0 HA PHE A 87 -13.935 -1.052 -5.518 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.105 -0.870 -8.435 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.679 -1.373 -7.854 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.021 0.325 -6.449 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.652 1.402 -8.818 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.764 2.664 -6.437 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.396 3.744 -8.816 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.457 4.379 -7.627 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.732 -3.508 -6.723 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.443 -4.929 -6.843 1.00 10.00 C ATOM 1162 C GLN A 88 -13.929 -5.468 -8.183 1.00 10.00 C ATOM 1163 O GLN A 88 -14.775 -4.860 -8.842 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.076 -5.718 -5.692 1.00 10.00 C ATOM 1165 CG GLN A 88 -13.349 -5.547 -4.366 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.690 -6.628 -3.360 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.953 -7.776 -3.723 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -13.688 -6.271 -2.087 1.00 10.00 N ATOM 0 H GLN A 88 -14.703 -3.256 -6.908 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.362 -5.055 -6.790 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.112 -5.402 -5.572 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.093 -6.776 -5.954 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -12.274 -5.551 -4.544 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -13.599 -4.574 -3.944 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -13.465 -5.310 -1.827 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -13.910 -6.956 -1.365 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.372 -6.601 -8.580 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.734 -7.243 -9.833 1.00 10.00 C ATOM 1179 C GLN A 89 -15.020 -8.044 -9.658 1.00 10.00 C ATOM 1180 O GLN A 89 -15.340 -8.491 -8.555 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.593 -8.153 -10.309 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.790 -8.727 -11.707 1.00 10.00 C ATOM 1183 CD GLN A 89 -13.022 -7.658 -12.762 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.531 -6.535 -12.650 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.775 -8.002 -13.795 1.00 10.00 N ATOM 0 H GLN A 89 -12.660 -7.099 -8.046 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.903 -6.476 -10.589 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.661 -7.588 -10.289 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.482 -8.976 -9.603 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.913 -9.314 -11.979 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.640 -9.410 -11.697 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -14.164 -8.943 -13.852 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.966 -7.326 -14.534 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.755 -8.210 -10.746 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.009 -8.946 -10.728 1.00 10.00 C ATOM 1196 C GLN A 90 -16.773 -10.437 -10.498 1.00 10.00 C ATOM 1197 O GLN A 90 -15.794 -11.013 -10.985 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.773 -8.728 -12.037 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.436 -7.359 -12.146 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.436 -6.223 -12.297 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.357 -6.399 -12.863 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.787 -5.052 -11.792 1.00 10.00 N ATOM 0 H GLN A 90 -15.501 -7.840 -11.662 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.608 -8.567 -9.900 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.085 -8.855 -12.873 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.537 -9.499 -12.133 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.112 -7.356 -13.001 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -19.044 -7.184 -11.258 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.690 -4.946 -11.330 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.154 -4.255 -11.864 1.00 10.00 H new ATOM 1211 N THR A 91 -17.672 -11.048 -9.747 1.00 10.00 N ATOM 1212 CA THR A 91 -17.589 -12.462 -9.436 1.00 10.00 C ATOM 1213 C THR A 91 -18.162 -13.309 -10.570 1.00 10.00 C ATOM 1214 O THR A 91 -17.752 -14.454 -10.775 1.00 10.00 O ATOM 1215 CB THR A 91 -18.351 -12.759 -8.138 1.00 10.00 C ATOM 1216 OG1 THR A 91 -18.907 -11.542 -7.626 1.00 10.00 O ATOM 1217 CG2 THR A 91 -17.432 -13.378 -7.097 1.00 10.00 C ATOM 0 H THR A 91 -18.479 -10.578 -9.337 1.00 10.00 H new ATOM 0 HA THR A 91 -16.537 -12.719 -9.310 1.00 10.00 H new ATOM 0 HB THR A 91 -19.148 -13.470 -8.357 1.00 10.00 H new ATOM 0 HG1 THR A 91 -19.396 -11.729 -6.798 1.00 10.00 H new ATOM 0 HG21 THR A 91 -17.997 -13.579 -6.187 1.00 10.00 H new ATOM 0 HG22 THR A 91 -17.022 -14.311 -7.483 1.00 10.00 H new ATOM 0 HG23 THR A 91 -16.618 -12.688 -6.874 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.115 -12.737 -11.297 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.734 -13.444 -12.405 1.00 10.00 C ATOM 1227 C GLY A 92 -21.220 -13.651 -12.195 1.00 10.00 C ATOM 1228 O GLY A 92 -21.830 -12.988 -11.348 1.00 10.00 O ATOM 0 H GLY A 92 -19.471 -11.794 -11.139 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.574 -12.883 -13.326 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.249 -14.412 -12.532 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -13.531 5.802 15.361 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.602 5.638 13.913 1.00 10.00 C ATOM 1235 C ASP B 195 -12.495 4.702 13.442 1.00 10.00 C ATOM 1236 O ASP B 195 -11.870 4.019 14.254 1.00 10.00 O ATOM 1237 CB ASP B 195 -13.465 6.991 13.215 1.00 10.00 C ATOM 1238 CG ASP B 195 -14.239 7.050 11.914 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -15.345 7.628 11.905 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -13.749 6.515 10.898 1.00 10.00 O ATOM 0 HA ASP B 195 -14.571 5.208 13.659 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -13.819 7.778 13.881 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -12.412 7.190 13.017 1.00 10.00 H new ATOM 1245 N THR B 196 -12.232 4.679 12.141 1.00 10.00 N ATOM 1246 CA THR B 196 -11.180 3.829 11.627 1.00 10.00 C ATOM 1247 C THR B 196 -10.111 4.665 10.946 1.00 10.00 C ATOM 1248 O THR B 196 -10.398 5.432 10.027 1.00 10.00 O ATOM 1249 CB THR B 196 -11.734 2.808 10.613 1.00 10.00 C ATOM 1250 OG1 THR B 196 -12.863 3.360 9.919 1.00 10.00 O ATOM 1251 CG2 THR B 196 -12.146 1.522 11.309 1.00 10.00 C ATOM 0 H THR B 196 -12.725 5.230 11.439 1.00 10.00 H new ATOM 0 HA THR B 196 -10.749 3.293 12.473 1.00 10.00 H new ATOM 0 HB THR B 196 -10.944 2.581 9.897 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.205 2.704 9.277 1.00 10.00 H new ATOM 0 HG21 THR B 196 -12.533 0.818 10.573 1.00 10.00 H new ATOM 0 HG22 THR B 196 -11.281 1.085 11.809 1.00 10.00 H new ATOM 0 HG23 THR B 196 -12.919 1.739 12.046 1.00 10.00 H new ATOM 1259 N ALA B 197 -8.886 4.521 11.420 1.00 10.00 N ATOM 1260 CA ALA B 197 -7.764 5.230 10.842 1.00 10.00 C ATOM 1261 C ALA B 197 -6.666 4.244 10.486 1.00 10.00 C ATOM 1262 O ALA B 197 -6.217 3.484 11.340 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.253 6.291 11.810 1.00 10.00 C ATOM 0 H ALA B 197 -8.645 3.917 12.206 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.087 5.735 9.931 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.409 6.816 11.362 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.051 7.002 12.024 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -6.933 5.814 12.737 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.231 4.259 9.248 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.173 3.369 8.840 1.00 10.00 C ATOM 1271 C GLY B 198 -4.009 4.122 8.259 1.00 10.00 C ATOM 1272 O GLY B 198 -4.199 4.987 7.413 1.00 10.00 O ATOM 0 H GLY B 198 -6.589 4.870 8.514 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -4.838 2.785 9.697 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.555 2.663 8.103 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.807 3.842 8.722 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.647 4.508 8.173 1.00 10.00 C ATOM 1278 C CYS B 199 -0.691 3.480 7.620 1.00 10.00 C ATOM 1279 O CYS B 199 -0.259 2.570 8.326 1.00 10.00 O ATOM 1280 CB CYS B 199 -0.953 5.360 9.235 1.00 10.00 C ATOM 1281 SG CYS B 199 -0.739 4.526 10.825 1.00 10.00 S ATOM 0 H CYS B 199 -2.611 3.170 9.464 1.00 10.00 H new ATOM 0 HA CYS B 199 -1.971 5.171 7.370 1.00 10.00 H new ATOM 0 HB2 CYS B 199 0.025 5.663 8.861 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -1.531 6.271 9.389 1.00 10.00 H new ATOM 0 HG CYS B 199 -0.141 5.326 11.657 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.381 3.616 6.348 1.00 10.00 N ATOM 1288 CA ILE B 200 0.541 2.710 5.698 1.00 10.00 C ATOM 1289 C ILE B 200 1.656 3.497 5.041 1.00 10.00 C ATOM 1290 O ILE B 200 1.400 4.443 4.300 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.173 1.812 4.665 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.396 1.152 5.310 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.791 0.755 4.147 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -2.142 0.193 4.408 1.00 10.00 C ATOM 0 H ILE B 200 -0.755 4.347 5.743 1.00 10.00 H new ATOM 0 HA ILE B 200 0.964 2.054 6.459 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.507 2.421 3.825 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -1.075 0.615 6.203 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.083 1.932 5.637 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.282 0.124 3.418 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.644 1.241 3.673 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.139 0.141 4.978 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.992 -0.227 4.947 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.498 0.725 3.526 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.474 -0.612 4.101 1.00 10.00 H new ATOM 1306 N VAL B 201 2.887 3.122 5.318 1.00 10.00 N ATOM 1307 CA VAL B 201 4.022 3.799 4.723 1.00 10.00 C ATOM 1308 C VAL B 201 4.840 2.826 3.892 1.00 10.00 C ATOM 1309 O VAL B 201 5.206 1.741 4.364 1.00 10.00 O ATOM 1310 CB VAL B 201 4.930 4.448 5.792 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.303 3.434 6.860 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.178 5.034 5.151 1.00 10.00 C ATOM 0 H VAL B 201 3.128 2.357 5.948 1.00 10.00 H new ATOM 0 HA VAL B 201 3.628 4.590 4.085 1.00 10.00 H new ATOM 0 HB VAL B 201 4.377 5.259 6.266 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.943 3.908 7.604 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.398 3.064 7.342 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.836 2.602 6.401 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.804 5.486 5.920 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.735 4.243 4.649 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.891 5.794 4.424 1.00 10.00 H new ATOM 1322 N ILE B 202 5.104 3.196 2.653 1.00 10.00 N ATOM 1323 CA ILE B 202 5.898 2.361 1.788 1.00 10.00 C ATOM 1324 C ILE B 202 7.126 3.125 1.326 1.00 10.00 C ATOM 1325 O ILE B 202 7.035 4.228 0.782 1.00 10.00 O ATOM 1326 CB ILE B 202 5.101 1.856 0.559 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.752 3.022 -0.396 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.856 1.097 1.000 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.421 2.901 -1.099 1.00 10.00 C ATOM 0 H ILE B 202 4.780 4.066 2.230 1.00 10.00 H new ATOM 0 HA ILE B 202 6.195 1.484 2.364 1.00 10.00 H new ATOM 0 HB ILE B 202 5.732 1.162 0.003 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.761 3.952 0.173 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.536 3.101 -1.149 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.311 0.751 0.122 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.148 0.240 1.607 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.217 1.756 1.587 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.270 3.766 -1.744 1.00 10.00 H new ATOM 0 HD12 ILE B 202 3.409 1.993 -1.701 1.00 10.00 H new ATOM 0 HD13 ILE B 202 2.622 2.856 -0.359 1.00 10.00 H new HETATM 1341 N SEP B 203 8.270 2.546 1.564 1.00 10.00 N HETATM 1342 CA SEP B 203 9.506 3.146 1.147 1.00 10.00 C HETATM 1343 CB SEP B 203 10.379 3.462 2.365 1.00 10.00 C HETATM 1344 OG SEP B 203 9.674 4.236 3.331 1.00 10.00 O HETATM 1345 C SEP B 203 10.214 2.194 0.200 1.00 10.00 C HETATM 1346 O SEP B 203 10.351 1.003 0.492 1.00 10.00 O HETATM 1347 P SEP B 203 10.088 5.762 3.599 1.00 10.00 P HETATM 1348 O1P SEP B 203 11.542 5.971 3.765 1.00 10.00 O HETATM 1349 O2P SEP B 203 9.285 6.440 4.636 1.00 10.00 O HETATM 1350 O3P SEP B 203 9.715 6.511 2.239 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.718 2.532 2.821 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.269 4.003 2.044 1.00 10.00 H new HETATM 0 HA SEP B 203 9.309 4.085 0.630 1.00 10.00 H new ATOM 1355 N ASP B 204 10.630 2.698 -0.944 1.00 10.00 N ATOM 1356 CA ASP B 204 11.326 1.873 -1.914 1.00 10.00 C ATOM 1357 C ASP B 204 12.722 2.427 -2.132 1.00 10.00 C ATOM 1358 O ASP B 204 12.893 3.624 -2.348 1.00 10.00 O ATOM 1359 CB ASP B 204 10.567 1.835 -3.242 1.00 10.00 C ATOM 1360 CG ASP B 204 10.927 0.631 -4.085 1.00 10.00 C ATOM 1361 OD1 ASP B 204 11.788 0.759 -4.983 1.00 10.00 O ATOM 1362 OD2 ASP B 204 10.342 -0.453 -3.859 1.00 10.00 O ATOM 0 H ASP B 204 10.500 3.670 -1.225 1.00 10.00 H new ATOM 0 HA ASP B 204 11.389 0.855 -1.530 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.495 1.827 -3.043 1.00 10.00 H new ATOM 0 HB3 ASP B 204 10.780 2.744 -3.804 1.00 10.00 H new HETATM 1367 N SEP B 205 13.714 1.565 -2.052 1.00 10.00 N HETATM 1368 CA SEP B 205 15.086 1.977 -2.235 1.00 10.00 C HETATM 1369 CB SEP B 205 15.899 1.629 -0.980 1.00 10.00 C HETATM 1370 OG SEP B 205 15.606 0.315 -0.517 1.00 10.00 O HETATM 1371 C SEP B 205 15.661 1.300 -3.471 1.00 10.00 C HETATM 1372 O SEP B 205 15.512 0.091 -3.664 1.00 10.00 O HETATM 1373 P SEP B 205 14.442 0.062 0.562 1.00 10.00 P HETATM 1374 O1P SEP B 205 14.780 -0.944 1.593 1.00 10.00 O HETATM 1375 O2P SEP B 205 13.848 1.290 1.114 1.00 10.00 O HETATM 1376 O3P SEP B 205 13.260 -0.617 -0.277 1.00 10.00 O HETATM 0 HB3 SEP B 205 16.963 1.709 -1.201 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.681 2.350 -0.192 1.00 10.00 H new HETATM 0 HA SEP B 205 15.134 3.056 -2.384 1.00 10.00 H new ATOM 1381 N GLU B 206 16.274 2.105 -4.332 1.00 10.00 N ATOM 1382 CA GLU B 206 16.865 1.617 -5.573 1.00 10.00 C ATOM 1383 C GLU B 206 17.979 0.609 -5.302 1.00 10.00 C ATOM 1384 O GLU B 206 18.455 0.472 -4.170 1.00 10.00 O ATOM 1385 CB GLU B 206 17.404 2.792 -6.396 1.00 10.00 C ATOM 1386 CG GLU B 206 17.230 2.619 -7.897 1.00 10.00 C ATOM 1387 CD GLU B 206 15.773 2.589 -8.322 1.00 10.00 C ATOM 1388 OE1 GLU B 206 15.090 1.574 -8.054 1.00 10.00 O ATOM 1389 OE2 GLU B 206 15.308 3.573 -8.934 1.00 10.00 O ATOM 0 H GLU B 206 16.375 3.110 -4.190 1.00 10.00 H new ATOM 0 HA GLU B 206 16.085 1.108 -6.140 1.00 10.00 H new ATOM 0 HB2 GLU B 206 16.898 3.705 -6.084 1.00 10.00 H new ATOM 0 HB3 GLU B 206 18.463 2.923 -6.175 1.00 10.00 H new ATOM 0 HG2 GLU B 206 17.737 3.434 -8.413 1.00 10.00 H new ATOM 0 HG3 GLU B 206 17.714 1.694 -8.210 1.00 10.00 H new TER 1396 GLU B 206