USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 999 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 ASN : amide:sc= -0.751 K(o=-8.8,f=-10!) USER MOD Set 1.2: A 112 CYS SG : rot -0:sc= -8.01! USER MOD Set 2.1: A 6 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.2: A 18 SER OG : rot -66:sc= 1.34 USER MOD Set 3.1: A 3 THR OG1 : rot 180:sc= -0.113 USER MOD Set 3.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0729 USER MOD Single : A 7 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.52) USER MOD Single : A 12 CYS SG : rot 40:sc= -3.66! USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 23 TYR OH : rot -118:sc= 0.00704 USER MOD Single : A 24 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.24) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 42 CYS SG : rot -10:sc= -0.229 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.1) USER MOD Single : A 64 MET CE :methyl -155:sc= -0.0361 (180deg=-0.452) USER MOD Single : A 79 SER OG : rot 130:sc= 0.0199 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.093 K(o=0.093,f=-3.7!) USER MOD Single : A 84 MET CE :methyl 150:sc= -4.77! (180deg=-9.29!) USER MOD Single : A 89 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.17) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 105 SER OG : rot 10:sc= -1.05! USER MOD Single : A 106 ASN : amide:sc= 1.16 K(o=1.2,f=-0.039) USER MOD Single : A 107 HIS : no HD1:sc= 0.337 K(o=0.35,f=-3.2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -1.9! C(o=-1.9!,f=-6.1!) USER MOD Single : A 121 MET CE :methyl -162:sc= -0.0598 (180deg=-0.451) USER MOD Single : A 128 SER OG : rot 63:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.098 3.084 -10.529 1.00 0.00 N ATOM 2 CA MET A 1 -17.083 3.703 -9.609 1.00 0.00 C ATOM 3 C MET A 1 -17.310 5.172 -9.968 1.00 0.00 C ATOM 4 O MET A 1 -18.449 5.624 -10.079 1.00 0.00 O ATOM 5 CB MET A 1 -16.595 3.586 -8.161 1.00 0.00 C ATOM 6 CG MET A 1 -17.592 4.090 -7.130 1.00 0.00 C ATOM 7 SD MET A 1 -17.001 3.881 -5.440 1.00 0.00 S ATOM 8 CE MET A 1 -18.360 4.595 -4.514 1.00 0.00 C ATOM 0 H1 MET A 1 -15.958 2.087 -10.268 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.452 3.140 -11.505 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.192 3.590 -10.460 1.00 0.00 H new ATOM 0 HA MET A 1 -18.030 3.173 -9.711 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.365 2.542 -7.949 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.665 4.145 -8.056 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.796 5.145 -7.312 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.535 3.557 -7.250 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.142 4.540 -3.447 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.490 5.638 -4.804 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.275 4.042 -4.727 1.00 0.00 H new ATOM 20 N SER A 2 -16.223 5.913 -10.152 1.00 0.00 N ATOM 21 CA SER A 2 -16.318 7.325 -10.493 1.00 0.00 C ATOM 22 C SER A 2 -15.151 7.739 -11.387 1.00 0.00 C ATOM 23 O SER A 2 -14.194 6.979 -11.570 1.00 0.00 O ATOM 24 CB SER A 2 -16.345 8.176 -9.217 1.00 0.00 C ATOM 25 OG SER A 2 -16.637 9.533 -9.511 1.00 0.00 O ATOM 0 H SER A 2 -15.270 5.560 -10.071 1.00 0.00 H new ATOM 0 HA SER A 2 -17.245 7.490 -11.042 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.093 7.781 -8.529 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.381 8.110 -8.712 1.00 0.00 H new ATOM 0 HG SER A 2 -16.650 10.052 -8.680 1.00 0.00 H new ATOM 31 N THR A 3 -15.235 8.941 -11.936 1.00 0.00 N ATOM 32 CA THR A 3 -14.210 9.453 -12.828 1.00 0.00 C ATOM 33 C THR A 3 -13.489 10.637 -12.180 1.00 0.00 C ATOM 34 O THR A 3 -13.971 11.201 -11.196 1.00 0.00 O ATOM 35 CB THR A 3 -14.808 9.877 -14.189 1.00 0.00 C ATOM 36 OG1 THR A 3 -13.766 10.288 -15.084 1.00 0.00 O ATOM 37 CG2 THR A 3 -15.813 11.007 -14.019 1.00 0.00 C ATOM 0 H THR A 3 -16.011 9.584 -11.776 1.00 0.00 H new ATOM 0 HA THR A 3 -13.494 8.652 -13.009 1.00 0.00 H new ATOM 0 HB THR A 3 -15.326 9.015 -14.609 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.158 10.552 -15.943 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.217 11.284 -14.993 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.624 10.678 -13.370 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.318 11.870 -13.572 1.00 0.00 H new ATOM 45 N THR A 4 -12.333 11.000 -12.737 1.00 0.00 N ATOM 46 CA THR A 4 -11.494 12.061 -12.185 1.00 0.00 C ATOM 47 C THR A 4 -10.978 11.651 -10.805 1.00 0.00 C ATOM 48 O THR A 4 -10.592 12.477 -9.976 1.00 0.00 O ATOM 49 CB THR A 4 -12.265 13.399 -12.107 1.00 0.00 C ATOM 50 OG1 THR A 4 -13.024 13.578 -13.312 1.00 0.00 O ATOM 51 CG2 THR A 4 -11.313 14.578 -11.937 1.00 0.00 C ATOM 0 H THR A 4 -11.954 10.568 -13.580 1.00 0.00 H new ATOM 0 HA THR A 4 -10.643 12.210 -12.850 1.00 0.00 H new ATOM 0 HB THR A 4 -12.926 13.363 -11.241 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.516 14.424 -13.266 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.886 15.504 -11.886 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.741 14.454 -11.018 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.631 14.620 -12.786 1.00 0.00 H new ATOM 59 N ALA A 5 -10.946 10.349 -10.587 1.00 0.00 N ATOM 60 CA ALA A 5 -10.496 9.792 -9.334 1.00 0.00 C ATOM 61 C ALA A 5 -9.084 9.243 -9.489 1.00 0.00 C ATOM 62 O ALA A 5 -8.862 8.261 -10.200 1.00 0.00 O ATOM 63 CB ALA A 5 -11.456 8.706 -8.875 1.00 0.00 C ATOM 0 H ALA A 5 -11.232 9.653 -11.275 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.478 10.574 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -11.110 8.290 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.450 9.132 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.497 7.916 -9.625 1.00 0.00 H new ATOM 69 N TYR A 6 -8.132 9.892 -8.840 1.00 0.00 N ATOM 70 CA TYR A 6 -6.738 9.494 -8.933 1.00 0.00 C ATOM 71 C TYR A 6 -6.437 8.442 -7.887 1.00 0.00 C ATOM 72 O TYR A 6 -6.565 8.699 -6.697 1.00 0.00 O ATOM 73 CB TYR A 6 -5.824 10.701 -8.726 1.00 0.00 C ATOM 74 CG TYR A 6 -6.109 11.844 -9.675 1.00 0.00 C ATOM 75 CD1 TYR A 6 -7.093 12.780 -9.382 1.00 0.00 C ATOM 76 CD2 TYR A 6 -5.397 11.988 -10.859 1.00 0.00 C ATOM 77 CE1 TYR A 6 -7.359 13.826 -10.240 1.00 0.00 C ATOM 78 CE2 TYR A 6 -5.659 13.033 -11.722 1.00 0.00 C ATOM 79 CZ TYR A 6 -6.639 13.949 -11.407 1.00 0.00 C ATOM 80 OH TYR A 6 -6.895 14.996 -12.258 1.00 0.00 O ATOM 0 H TYR A 6 -8.300 10.700 -8.241 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.557 9.083 -9.926 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.930 11.055 -7.701 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.787 10.387 -8.849 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.659 12.687 -8.467 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.628 11.272 -11.108 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.128 14.545 -9.998 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.098 13.132 -12.640 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.300 14.939 -13.035 1.00 0.00 H new ATOM 90 N GLN A 7 -6.060 7.259 -8.332 1.00 0.00 N ATOM 91 CA GLN A 7 -5.752 6.167 -7.426 1.00 0.00 C ATOM 92 C GLN A 7 -4.246 6.093 -7.179 1.00 0.00 C ATOM 93 O GLN A 7 -3.505 5.582 -8.017 1.00 0.00 O ATOM 94 CB GLN A 7 -6.270 4.854 -8.018 1.00 0.00 C ATOM 95 CG GLN A 7 -6.154 3.654 -7.092 1.00 0.00 C ATOM 96 CD GLN A 7 -6.805 2.416 -7.674 1.00 0.00 C ATOM 97 OE1 GLN A 7 -7.322 1.570 -6.947 1.00 0.00 O ATOM 98 NE2 GLN A 7 -6.781 2.302 -8.993 1.00 0.00 N ATOM 0 H GLN A 7 -5.959 7.028 -9.320 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.243 6.341 -6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.316 4.983 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.721 4.643 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.102 3.450 -6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.618 3.890 -6.134 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.342 3.027 -9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -7.202 1.489 -9.442 1.00 0.00 H new ATOM 107 N PRO A 8 -3.768 6.649 -6.047 1.00 0.00 N ATOM 108 CA PRO A 8 -2.352 6.596 -5.677 1.00 0.00 C ATOM 109 C PRO A 8 -1.913 5.167 -5.420 1.00 0.00 C ATOM 110 O PRO A 8 -1.022 4.638 -6.106 1.00 0.00 O ATOM 111 CB PRO A 8 -2.266 7.423 -4.386 1.00 0.00 C ATOM 112 CG PRO A 8 -3.537 8.198 -4.326 1.00 0.00 C ATOM 113 CD PRO A 8 -4.565 7.375 -5.049 1.00 0.00 C ATOM 0 HA PRO A 8 -1.705 6.979 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.157 6.779 -3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.402 8.087 -4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.836 8.375 -3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.420 9.175 -4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.084 6.694 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.325 8.000 -5.517 1.00 0.00 H new ATOM 121 N ILE A 9 -2.565 4.559 -4.432 1.00 0.00 N ATOM 122 CA ILE A 9 -2.349 3.167 -4.094 1.00 0.00 C ATOM 123 C ILE A 9 -3.614 2.362 -4.371 1.00 0.00 C ATOM 124 O ILE A 9 -4.717 2.790 -4.027 1.00 0.00 O ATOM 125 CB ILE A 9 -1.946 2.985 -2.613 1.00 0.00 C ATOM 126 CG1 ILE A 9 -0.737 3.860 -2.272 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.645 1.518 -2.318 1.00 0.00 C ATOM 128 CD1 ILE A 9 -0.275 3.732 -0.836 1.00 0.00 C ATOM 0 H ILE A 9 -3.258 5.024 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.529 2.807 -4.715 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.783 3.298 -1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.088 3.597 -2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.987 4.902 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.363 1.408 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.532 0.917 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.825 1.180 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.585 4.382 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.084 4.024 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.007 2.699 -0.635 1.00 0.00 H new ATOM 140 N ALA A 10 -3.433 1.197 -4.979 1.00 0.00 N ATOM 141 CA ALA A 10 -4.532 0.336 -5.402 1.00 0.00 C ATOM 142 C ALA A 10 -5.517 0.029 -4.269 1.00 0.00 C ATOM 143 O ALA A 10 -6.707 0.330 -4.367 1.00 0.00 O ATOM 144 CB ALA A 10 -3.949 -0.953 -5.950 1.00 0.00 C ATOM 0 H ALA A 10 -2.511 0.819 -5.195 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.100 0.863 -6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.757 -1.610 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.304 -0.728 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.366 -1.448 -5.173 1.00 0.00 H new ATOM 150 N GLU A 11 -5.009 -0.564 -3.201 1.00 0.00 N ATOM 151 CA GLU A 11 -5.843 -1.028 -2.090 1.00 0.00 C ATOM 152 C GLU A 11 -6.414 0.132 -1.290 1.00 0.00 C ATOM 153 O GLU A 11 -7.432 -0.012 -0.623 1.00 0.00 O ATOM 154 CB GLU A 11 -5.030 -1.958 -1.195 1.00 0.00 C ATOM 155 CG GLU A 11 -4.285 -3.039 -1.973 1.00 0.00 C ATOM 156 CD GLU A 11 -5.106 -3.615 -3.116 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.232 -4.086 -2.868 1.00 0.00 O ATOM 158 OE2 GLU A 11 -4.626 -3.580 -4.266 1.00 0.00 O ATOM 0 H GLU A 11 -4.012 -0.740 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.690 -1.576 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.311 -1.368 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.696 -2.432 -0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.360 -2.622 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.005 -3.843 -1.292 1.00 0.00 H new ATOM 165 N CYS A 12 -5.773 1.286 -1.368 1.00 0.00 N ATOM 166 CA CYS A 12 -6.268 2.457 -0.670 1.00 0.00 C ATOM 167 C CYS A 12 -7.504 3.004 -1.376 1.00 0.00 C ATOM 168 O CYS A 12 -8.537 3.245 -0.754 1.00 0.00 O ATOM 169 CB CYS A 12 -5.179 3.521 -0.599 1.00 0.00 C ATOM 170 SG CYS A 12 -3.674 2.967 0.236 1.00 0.00 S ATOM 0 H CYS A 12 -4.917 1.435 -1.902 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.545 2.175 0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.927 3.838 -1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.571 4.395 -0.080 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.414 1.741 -0.107 1.00 0.00 H new ATOM 176 N GLY A 13 -7.414 3.152 -2.684 1.00 0.00 N ATOM 177 CA GLY A 13 -8.531 3.668 -3.436 1.00 0.00 C ATOM 178 C GLY A 13 -8.185 4.938 -4.173 1.00 0.00 C ATOM 179 O GLY A 13 -7.021 5.182 -4.488 1.00 0.00 O ATOM 0 H GLY A 13 -6.588 2.924 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.865 2.915 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.365 3.858 -2.760 1.00 0.00 H new ATOM 183 N ALA A 14 -9.187 5.759 -4.430 1.00 0.00 N ATOM 184 CA ALA A 14 -9.005 6.931 -5.264 1.00 0.00 C ATOM 185 C ALA A 14 -9.169 8.221 -4.474 1.00 0.00 C ATOM 186 O ALA A 14 -10.008 8.316 -3.579 1.00 0.00 O ATOM 187 CB ALA A 14 -9.982 6.892 -6.423 1.00 0.00 C ATOM 0 H ALA A 14 -10.134 5.635 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.985 6.915 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.842 7.775 -7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.806 5.996 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.002 6.878 -6.039 1.00 0.00 H new ATOM 193 N THR A 15 -8.354 9.202 -4.816 1.00 0.00 N ATOM 194 CA THR A 15 -8.425 10.522 -4.223 1.00 0.00 C ATOM 195 C THR A 15 -8.727 11.556 -5.304 1.00 0.00 C ATOM 196 O THR A 15 -8.167 11.495 -6.401 1.00 0.00 O ATOM 197 CB THR A 15 -7.090 10.889 -3.540 1.00 0.00 C ATOM 198 OG1 THR A 15 -6.652 9.813 -2.702 1.00 0.00 O ATOM 199 CG2 THR A 15 -7.222 12.160 -2.711 1.00 0.00 C ATOM 0 H THR A 15 -7.620 9.103 -5.518 1.00 0.00 H new ATOM 0 HA THR A 15 -9.218 10.517 -3.475 1.00 0.00 H new ATOM 0 HB THR A 15 -6.353 11.065 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.804 10.055 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.265 12.391 -2.244 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.519 12.986 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.977 12.014 -1.939 1.00 0.00 H new ATOM 207 N THR A 16 -9.607 12.499 -5.015 1.00 0.00 N ATOM 208 CA THR A 16 -9.912 13.547 -5.971 1.00 0.00 C ATOM 209 C THR A 16 -8.920 14.698 -5.823 1.00 0.00 C ATOM 210 O THR A 16 -9.225 15.728 -5.222 1.00 0.00 O ATOM 211 CB THR A 16 -11.349 14.072 -5.798 1.00 0.00 C ATOM 212 OG1 THR A 16 -12.254 12.970 -5.635 1.00 0.00 O ATOM 213 CG2 THR A 16 -11.776 14.902 -7.003 1.00 0.00 C ATOM 0 H THR A 16 -10.118 12.560 -4.134 1.00 0.00 H new ATOM 0 HA THR A 16 -9.828 13.118 -6.970 1.00 0.00 H new ATOM 0 HB THR A 16 -11.374 14.706 -4.911 1.00 0.00 H new ATOM 0 HG1 THR A 16 -13.166 13.310 -5.524 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.795 15.261 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.104 15.753 -7.115 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.735 14.287 -7.902 1.00 0.00 H new ATOM 221 N GLN A 17 -7.714 14.490 -6.334 1.00 0.00 N ATOM 222 CA GLN A 17 -6.671 15.505 -6.295 1.00 0.00 C ATOM 223 C GLN A 17 -5.610 15.198 -7.346 1.00 0.00 C ATOM 224 O GLN A 17 -4.982 14.136 -7.318 1.00 0.00 O ATOM 225 CB GLN A 17 -6.040 15.578 -4.900 1.00 0.00 C ATOM 226 CG GLN A 17 -5.040 16.711 -4.741 1.00 0.00 C ATOM 227 CD GLN A 17 -4.516 16.846 -3.325 1.00 0.00 C ATOM 228 OE1 GLN A 17 -3.381 17.258 -3.112 1.00 0.00 O ATOM 229 NE2 GLN A 17 -5.344 16.524 -2.342 1.00 0.00 N ATOM 0 H GLN A 17 -7.433 13.619 -6.784 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.117 16.475 -6.516 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.831 15.696 -4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.542 14.632 -4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.202 16.546 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.511 17.648 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.282 16.184 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.044 16.616 -1.372 1.00 0.00 H new ATOM 238 N SER A 18 -5.412 16.134 -8.264 1.00 0.00 N ATOM 239 CA SER A 18 -4.513 15.942 -9.394 1.00 0.00 C ATOM 240 C SER A 18 -3.048 15.875 -8.954 1.00 0.00 C ATOM 241 O SER A 18 -2.171 15.508 -9.736 1.00 0.00 O ATOM 242 CB SER A 18 -4.717 17.072 -10.400 1.00 0.00 C ATOM 243 OG SER A 18 -6.085 17.173 -10.766 1.00 0.00 O ATOM 0 H SER A 18 -5.869 17.046 -8.247 1.00 0.00 H new ATOM 0 HA SER A 18 -4.751 14.986 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.379 18.015 -9.970 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.110 16.891 -11.287 1.00 0.00 H new ATOM 0 HG SER A 18 -6.354 16.366 -11.253 1.00 0.00 H new ATOM 249 N GLU A 19 -2.794 16.206 -7.694 1.00 0.00 N ATOM 250 CA GLU A 19 -1.449 16.152 -7.143 1.00 0.00 C ATOM 251 C GLU A 19 -0.992 14.700 -7.042 1.00 0.00 C ATOM 252 O GLU A 19 0.193 14.394 -7.159 1.00 0.00 O ATOM 253 CB GLU A 19 -1.430 16.825 -5.769 1.00 0.00 C ATOM 254 CG GLU A 19 -0.041 17.162 -5.253 1.00 0.00 C ATOM 255 CD GLU A 19 -0.083 18.118 -4.078 1.00 0.00 C ATOM 256 OE1 GLU A 19 -0.412 19.305 -4.288 1.00 0.00 O ATOM 257 OE2 GLU A 19 0.212 17.697 -2.943 1.00 0.00 O ATOM 0 H GLU A 19 -3.507 16.516 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.761 16.685 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.018 17.742 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.922 16.170 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.466 16.245 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.546 17.604 -6.058 1.00 0.00 H new ATOM 264 N ALA A 20 -1.959 13.803 -6.874 1.00 0.00 N ATOM 265 CA ALA A 20 -1.676 12.382 -6.743 1.00 0.00 C ATOM 266 C ALA A 20 -1.144 11.794 -8.042 1.00 0.00 C ATOM 267 O ALA A 20 -0.428 10.799 -8.025 1.00 0.00 O ATOM 268 CB ALA A 20 -2.923 11.632 -6.302 1.00 0.00 C ATOM 0 H ALA A 20 -2.950 14.039 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.903 12.269 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.695 10.570 -6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.258 12.017 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.711 11.770 -7.042 1.00 0.00 H new ATOM 274 N ALA A 21 -1.468 12.433 -9.161 1.00 0.00 N ATOM 275 CA ALA A 21 -1.110 11.913 -10.478 1.00 0.00 C ATOM 276 C ALA A 21 0.401 11.901 -10.698 1.00 0.00 C ATOM 277 O ALA A 21 0.899 11.233 -11.603 1.00 0.00 O ATOM 278 CB ALA A 21 -1.799 12.722 -11.566 1.00 0.00 C ATOM 0 H ALA A 21 -1.980 13.315 -9.183 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.452 10.879 -10.528 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.525 12.325 -12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.880 12.657 -11.438 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.487 13.764 -11.497 1.00 0.00 H new ATOM 284 N ALA A 22 1.132 12.627 -9.864 1.00 0.00 N ATOM 285 CA ALA A 22 2.577 12.708 -10.003 1.00 0.00 C ATOM 286 C ALA A 22 3.281 11.678 -9.121 1.00 0.00 C ATOM 287 O ALA A 22 4.502 11.548 -9.163 1.00 0.00 O ATOM 288 CB ALA A 22 3.060 14.113 -9.670 1.00 0.00 C ATOM 0 H ALA A 22 0.749 13.166 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 22 2.828 12.484 -11.040 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.144 14.160 -9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.596 14.828 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.787 14.358 -8.644 1.00 0.00 H new ATOM 294 N TYR A 23 2.509 10.944 -8.327 1.00 0.00 N ATOM 295 CA TYR A 23 3.092 9.996 -7.382 1.00 0.00 C ATOM 296 C TYR A 23 2.437 8.620 -7.479 1.00 0.00 C ATOM 297 O TYR A 23 3.058 7.609 -7.142 1.00 0.00 O ATOM 298 CB TYR A 23 2.961 10.529 -5.953 1.00 0.00 C ATOM 299 CG TYR A 23 3.580 11.895 -5.755 1.00 0.00 C ATOM 300 CD1 TYR A 23 4.960 12.050 -5.689 1.00 0.00 C ATOM 301 CD2 TYR A 23 2.785 13.030 -5.639 1.00 0.00 C ATOM 302 CE1 TYR A 23 5.529 13.295 -5.508 1.00 0.00 C ATOM 303 CE2 TYR A 23 3.348 14.279 -5.459 1.00 0.00 C ATOM 304 CZ TYR A 23 4.720 14.405 -5.398 1.00 0.00 C ATOM 305 OH TYR A 23 5.286 15.643 -5.220 1.00 0.00 O ATOM 0 H TYR A 23 1.490 10.985 -8.317 1.00 0.00 H new ATOM 0 HA TYR A 23 4.145 9.885 -7.639 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.905 10.576 -5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.431 9.824 -5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.597 11.183 -5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.711 12.934 -5.690 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.603 13.398 -5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.718 15.151 -5.367 1.00 0.00 H new ATOM 0 HH TYR A 23 4.995 16.015 -4.361 1.00 0.00 H new ATOM 315 N GLN A 24 1.190 8.586 -7.937 1.00 0.00 N ATOM 316 CA GLN A 24 0.441 7.338 -8.030 1.00 0.00 C ATOM 317 C GLN A 24 1.061 6.407 -9.056 1.00 0.00 C ATOM 318 O GLN A 24 1.749 6.862 -9.970 1.00 0.00 O ATOM 319 CB GLN A 24 -1.033 7.614 -8.362 1.00 0.00 C ATOM 320 CG GLN A 24 -1.301 8.293 -9.702 1.00 0.00 C ATOM 321 CD GLN A 24 -1.517 7.314 -10.843 1.00 0.00 C ATOM 322 OE1 GLN A 24 -0.598 6.991 -11.594 1.00 0.00 O ATOM 323 NE2 GLN A 24 -2.736 6.816 -10.962 1.00 0.00 N ATOM 0 H GLN A 24 0.676 9.410 -8.250 1.00 0.00 H new ATOM 0 HA GLN A 24 0.485 6.844 -7.060 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.573 6.667 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.453 8.236 -7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.181 8.930 -9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.461 8.943 -9.946 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.472 7.109 -10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.941 6.139 -11.697 1.00 0.00 H new ATOM 332 N LYS A 25 0.826 5.106 -8.898 1.00 0.00 N ATOM 333 CA LYS A 25 1.375 4.120 -9.830 1.00 0.00 C ATOM 334 C LYS A 25 0.809 2.739 -9.527 1.00 0.00 C ATOM 335 O LYS A 25 -0.229 2.620 -8.878 1.00 0.00 O ATOM 336 CB LYS A 25 2.909 4.091 -9.734 1.00 0.00 C ATOM 337 CG LYS A 25 3.615 3.984 -11.083 1.00 0.00 C ATOM 338 CD LYS A 25 3.287 5.173 -11.975 1.00 0.00 C ATOM 339 CE LYS A 25 4.120 5.183 -13.247 1.00 0.00 C ATOM 340 NZ LYS A 25 3.787 6.343 -14.120 1.00 0.00 N ATOM 0 H LYS A 25 0.266 4.712 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 25 1.092 4.404 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.248 4.996 -9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.208 3.248 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.693 3.929 -10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.317 3.061 -11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.229 5.149 -12.236 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.458 6.097 -11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.178 5.216 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.955 4.256 -13.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.376 6.313 -14.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.783 6.298 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.969 7.228 -13.605 1.00 0.00 H new ATOM 354 N ARG A 26 1.487 1.694 -10.003 1.00 0.00 N ATOM 355 CA ARG A 26 1.099 0.325 -9.686 1.00 0.00 C ATOM 356 C ARG A 26 1.502 -0.006 -8.249 1.00 0.00 C ATOM 357 O ARG A 26 2.421 -0.785 -7.989 1.00 0.00 O ATOM 358 CB ARG A 26 1.700 -0.667 -10.695 1.00 0.00 C ATOM 359 CG ARG A 26 3.212 -0.588 -10.829 1.00 0.00 C ATOM 360 CD ARG A 26 3.704 -1.334 -12.057 1.00 0.00 C ATOM 361 NE ARG A 26 5.150 -1.201 -12.233 1.00 0.00 N ATOM 362 CZ ARG A 26 5.732 -0.217 -12.917 1.00 0.00 C ATOM 363 NH1 ARG A 26 4.999 0.733 -13.484 1.00 0.00 N ATOM 364 NH2 ARG A 26 7.050 -0.189 -13.037 1.00 0.00 N ATOM 0 H ARG A 26 2.305 1.772 -10.608 1.00 0.00 H new ATOM 0 HA ARG A 26 0.016 0.234 -9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.426 -1.679 -10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.251 -0.489 -11.672 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.518 0.456 -10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.679 -1.006 -9.937 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.445 -2.389 -11.969 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.194 -0.953 -12.942 1.00 0.00 H new ATOM 0 HE ARG A 26 5.750 -1.906 -11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.983 0.713 -13.398 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.452 1.483 -14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.617 -0.919 -12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.499 0.563 -13.560 1.00 0.00 H new ATOM 378 N TRP A 27 0.811 0.638 -7.328 1.00 0.00 N ATOM 379 CA TRP A 27 1.076 0.519 -5.908 1.00 0.00 C ATOM 380 C TRP A 27 0.059 -0.440 -5.307 1.00 0.00 C ATOM 381 O TRP A 27 -1.090 -0.425 -5.728 1.00 0.00 O ATOM 382 CB TRP A 27 0.902 1.905 -5.294 1.00 0.00 C ATOM 383 CG TRP A 27 1.813 2.216 -4.160 1.00 0.00 C ATOM 384 CD1 TRP A 27 2.154 1.396 -3.134 1.00 0.00 C ATOM 385 CD2 TRP A 27 2.468 3.467 -3.927 1.00 0.00 C ATOM 386 NE1 TRP A 27 3.016 2.051 -2.281 1.00 0.00 N ATOM 387 CE2 TRP A 27 3.218 3.332 -2.746 1.00 0.00 C ATOM 388 CE3 TRP A 27 2.498 4.686 -4.614 1.00 0.00 C ATOM 389 CZ2 TRP A 27 3.990 4.382 -2.234 1.00 0.00 C ATOM 390 CZ3 TRP A 27 3.258 5.720 -4.106 1.00 0.00 C ATOM 391 CH2 TRP A 27 3.996 5.562 -2.927 1.00 0.00 C ATOM 0 H TRP A 27 0.039 1.267 -7.549 1.00 0.00 H new ATOM 0 HA TRP A 27 2.082 0.144 -5.718 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.052 2.651 -6.074 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.127 2.005 -4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.803 0.383 -3.005 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.436 1.652 -1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.936 4.815 -5.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.560 4.265 -1.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.284 6.666 -4.626 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.583 6.389 -2.556 1.00 0.00 H new ATOM 402 N LEU A 28 0.446 -1.239 -4.315 1.00 0.00 N ATOM 403 CA LEU A 28 -0.486 -2.210 -3.734 1.00 0.00 C ATOM 404 C LEU A 28 0.068 -2.856 -2.468 1.00 0.00 C ATOM 405 O LEU A 28 1.120 -2.466 -1.969 1.00 0.00 O ATOM 406 CB LEU A 28 -0.851 -3.282 -4.775 1.00 0.00 C ATOM 407 CG LEU A 28 0.322 -3.884 -5.557 1.00 0.00 C ATOM 408 CD1 LEU A 28 0.939 -5.060 -4.814 1.00 0.00 C ATOM 409 CD2 LEU A 28 -0.135 -4.303 -6.944 1.00 0.00 C ATOM 0 H LEU A 28 1.378 -1.237 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.387 -1.668 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.376 -4.090 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.551 -2.845 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 28 1.092 -3.119 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.768 -5.464 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.306 -4.725 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.186 -5.835 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.706 -4.729 -7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.926 -5.048 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.513 -3.433 -7.481 1.00 0.00 H new ATOM 421 N VAL A 29 -0.660 -3.839 -1.953 1.00 0.00 N ATOM 422 CA VAL A 29 -0.264 -4.552 -0.746 1.00 0.00 C ATOM 423 C VAL A 29 0.074 -6.002 -1.090 1.00 0.00 C ATOM 424 O VAL A 29 -0.542 -6.589 -1.975 1.00 0.00 O ATOM 425 CB VAL A 29 -1.390 -4.515 0.318 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.995 -5.275 1.573 1.00 0.00 C ATOM 427 CG2 VAL A 29 -1.747 -3.079 0.665 1.00 0.00 C ATOM 0 H VAL A 29 -1.538 -4.163 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 29 0.615 -4.059 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.265 -5.005 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.808 -5.228 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.794 -6.316 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.099 -4.827 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.539 -3.072 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.868 -2.571 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.090 -2.563 -0.231 1.00 0.00 H new ATOM 437 N ALA A 30 1.064 -6.569 -0.417 1.00 0.00 N ATOM 438 CA ALA A 30 1.442 -7.955 -0.658 1.00 0.00 C ATOM 439 C ALA A 30 1.206 -8.814 0.575 1.00 0.00 C ATOM 440 O ALA A 30 1.300 -8.338 1.708 1.00 0.00 O ATOM 441 CB ALA A 30 2.889 -8.048 -1.103 1.00 0.00 C ATOM 0 H ALA A 30 1.618 -6.095 0.296 1.00 0.00 H new ATOM 0 HA ALA A 30 0.809 -8.337 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.150 -9.092 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.023 -7.482 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.535 -7.637 -0.327 1.00 0.00 H new ATOM 447 N ASN A 31 0.917 -10.083 0.332 1.00 0.00 N ATOM 448 CA ASN A 31 0.544 -11.021 1.381 1.00 0.00 C ATOM 449 C ASN A 31 1.738 -11.879 1.804 1.00 0.00 C ATOM 450 O ASN A 31 2.687 -12.051 1.039 1.00 0.00 O ATOM 451 CB ASN A 31 -0.595 -11.914 0.866 1.00 0.00 C ATOM 452 CG ASN A 31 -0.994 -13.013 1.835 1.00 0.00 C ATOM 453 OD1 ASN A 31 -1.012 -12.821 3.052 1.00 0.00 O ATOM 454 ND2 ASN A 31 -1.293 -14.186 1.300 1.00 0.00 N ATOM 0 H ASN A 31 0.934 -10.493 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 31 0.213 -10.462 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.466 -11.293 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.292 -12.367 -0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.550 -14.970 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.267 -14.306 0.287 1.00 0.00 H new ATOM 461 N ASP A 32 1.667 -12.406 3.028 1.00 0.00 N ATOM 462 CA ASP A 32 2.681 -13.307 3.588 1.00 0.00 C ATOM 463 C ASP A 32 3.098 -14.406 2.610 1.00 0.00 C ATOM 464 O ASP A 32 4.269 -14.777 2.549 1.00 0.00 O ATOM 465 CB ASP A 32 2.146 -13.953 4.872 1.00 0.00 C ATOM 466 CG ASP A 32 3.077 -15.015 5.429 1.00 0.00 C ATOM 467 OD1 ASP A 32 2.936 -16.200 5.052 1.00 0.00 O ATOM 468 OD2 ASP A 32 3.939 -14.676 6.264 1.00 0.00 O ATOM 0 H ASP A 32 0.895 -12.218 3.667 1.00 0.00 H new ATOM 0 HA ASP A 32 3.563 -12.702 3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.992 -13.180 5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.172 -14.400 4.670 1.00 0.00 H new ATOM 473 N ALA A 33 2.140 -14.915 1.837 1.00 0.00 N ATOM 474 CA ALA A 33 2.395 -16.030 0.931 1.00 0.00 C ATOM 475 C ALA A 33 3.278 -15.606 -0.239 1.00 0.00 C ATOM 476 O ALA A 33 3.697 -16.433 -1.046 1.00 0.00 O ATOM 477 CB ALA A 33 1.083 -16.601 0.418 1.00 0.00 C ATOM 0 H ALA A 33 1.180 -14.571 1.821 1.00 0.00 H new ATOM 0 HA ALA A 33 2.926 -16.801 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.287 -17.432 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.486 -16.955 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.533 -15.826 -0.116 1.00 0.00 H new ATOM 483 N GLY A 34 3.542 -14.312 -0.327 1.00 0.00 N ATOM 484 CA GLY A 34 4.381 -13.795 -1.386 1.00 0.00 C ATOM 485 C GLY A 34 3.565 -13.340 -2.567 1.00 0.00 C ATOM 486 O GLY A 34 4.109 -12.942 -3.598 1.00 0.00 O ATOM 0 H GLY A 34 3.188 -13.607 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.972 -12.961 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.084 -14.566 -1.703 1.00 0.00 H new ATOM 490 N GLN A 35 2.254 -13.397 -2.408 1.00 0.00 N ATOM 491 CA GLN A 35 1.338 -13.038 -3.471 1.00 0.00 C ATOM 492 C GLN A 35 0.846 -11.615 -3.270 1.00 0.00 C ATOM 493 O GLN A 35 0.928 -11.077 -2.167 1.00 0.00 O ATOM 494 CB GLN A 35 0.146 -14.000 -3.490 1.00 0.00 C ATOM 495 CG GLN A 35 -0.858 -13.756 -2.374 1.00 0.00 C ATOM 496 CD GLN A 35 -2.078 -14.649 -2.470 1.00 0.00 C ATOM 497 OE1 GLN A 35 -2.008 -15.775 -2.957 1.00 0.00 O ATOM 498 NE2 GLN A 35 -3.215 -14.143 -2.019 1.00 0.00 N ATOM 0 H GLN A 35 1.799 -13.692 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 35 1.862 -13.106 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.364 -13.913 -4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.515 -15.023 -3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.371 -13.918 -1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.175 -12.713 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.233 -13.204 -1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.073 -14.692 -2.069 1.00 0.00 H new ATOM 507 N TRP A 36 0.341 -11.010 -4.331 1.00 0.00 N ATOM 508 CA TRP A 36 -0.301 -9.712 -4.224 1.00 0.00 C ATOM 509 C TRP A 36 -1.605 -9.839 -3.442 1.00 0.00 C ATOM 510 O TRP A 36 -2.387 -10.768 -3.668 1.00 0.00 O ATOM 511 CB TRP A 36 -0.581 -9.132 -5.613 1.00 0.00 C ATOM 512 CG TRP A 36 0.606 -8.482 -6.266 1.00 0.00 C ATOM 513 CD1 TRP A 36 1.881 -8.401 -5.779 1.00 0.00 C ATOM 514 CD2 TRP A 36 0.619 -7.800 -7.528 1.00 0.00 C ATOM 515 NE1 TRP A 36 2.679 -7.712 -6.661 1.00 0.00 N ATOM 516 CE2 TRP A 36 1.928 -7.331 -7.737 1.00 0.00 C ATOM 517 CE3 TRP A 36 -0.352 -7.542 -8.499 1.00 0.00 C ATOM 518 CZ2 TRP A 36 2.292 -6.616 -8.874 1.00 0.00 C ATOM 519 CZ3 TRP A 36 0.010 -6.829 -9.629 1.00 0.00 C ATOM 520 CH2 TRP A 36 1.324 -6.372 -9.808 1.00 0.00 C ATOM 0 H TRP A 36 0.363 -11.396 -5.275 1.00 0.00 H new ATOM 0 HA TRP A 36 0.371 -9.036 -3.695 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.944 -9.930 -6.260 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.383 -8.398 -5.532 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.213 -8.817 -4.839 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.672 -7.517 -6.533 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.366 -7.892 -8.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.304 -6.266 -9.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.732 -6.621 -10.386 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.576 -5.817 -10.700 1.00 0.00 H new ATOM 531 N LEU A 37 -1.824 -8.922 -2.515 1.00 0.00 N ATOM 532 CA LEU A 37 -3.054 -8.900 -1.746 1.00 0.00 C ATOM 533 C LEU A 37 -3.988 -7.864 -2.348 1.00 0.00 C ATOM 534 O LEU A 37 -3.582 -6.733 -2.602 1.00 0.00 O ATOM 535 CB LEU A 37 -2.776 -8.563 -0.278 1.00 0.00 C ATOM 536 CG LEU A 37 -3.987 -8.673 0.647 1.00 0.00 C ATOM 537 CD1 LEU A 37 -4.375 -10.131 0.835 1.00 0.00 C ATOM 538 CD2 LEU A 37 -3.701 -8.007 1.986 1.00 0.00 C ATOM 0 H LEU A 37 -1.164 -8.182 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.515 -9.887 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.994 -9.227 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.385 -7.547 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.827 -8.152 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.239 -10.195 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.624 -10.569 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.540 -10.676 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.575 -8.096 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.849 -8.495 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.473 -6.953 1.827 1.00 0.00 H new ATOM 550 N ASN A 38 -5.233 -8.246 -2.569 1.00 0.00 N ATOM 551 CA ASN A 38 -6.160 -7.373 -3.266 1.00 0.00 C ATOM 552 C ASN A 38 -7.421 -7.105 -2.467 1.00 0.00 C ATOM 553 O ASN A 38 -7.832 -7.909 -1.630 1.00 0.00 O ATOM 554 CB ASN A 38 -6.563 -7.972 -4.615 1.00 0.00 C ATOM 555 CG ASN A 38 -5.521 -7.766 -5.691 1.00 0.00 C ATOM 556 OD1 ASN A 38 -4.668 -8.621 -5.924 1.00 0.00 O ATOM 557 ND2 ASN A 38 -5.587 -6.625 -6.355 1.00 0.00 N ATOM 0 H ASN A 38 -5.622 -9.144 -2.280 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.633 -6.430 -3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.743 -9.040 -4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.503 -7.525 -4.938 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.913 -6.425 -7.094 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.312 -5.944 -6.128 1.00 0.00 H new ATOM 564 N ARG A 39 -8.006 -5.951 -2.742 1.00 0.00 N ATOM 565 CA ARG A 39 -9.366 -5.612 -2.352 1.00 0.00 C ATOM 566 C ARG A 39 -10.332 -6.736 -2.725 1.00 0.00 C ATOM 567 O ARG A 39 -11.321 -6.978 -2.034 1.00 0.00 O ATOM 568 CB ARG A 39 -9.755 -4.321 -3.074 1.00 0.00 C ATOM 569 CG ARG A 39 -11.249 -4.060 -3.173 1.00 0.00 C ATOM 570 CD ARG A 39 -11.544 -3.001 -4.226 1.00 0.00 C ATOM 571 NE ARG A 39 -10.959 -1.706 -3.885 1.00 0.00 N ATOM 572 CZ ARG A 39 -9.819 -1.236 -4.396 1.00 0.00 C ATOM 573 NH1 ARG A 39 -9.136 -1.940 -5.294 1.00 0.00 N ATOM 574 NH2 ARG A 39 -9.364 -0.054 -4.006 1.00 0.00 N ATOM 0 H ARG A 39 -7.537 -5.205 -3.256 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.419 -5.475 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.289 -3.481 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.339 -4.348 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.768 -4.985 -3.425 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.631 -3.734 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.156 -3.331 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.623 -2.892 -4.338 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.455 -1.122 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.482 -2.850 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.266 -1.570 -5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.884 0.491 -3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.493 0.310 -4.393 1.00 0.00 H new ATOM 588 N ASP A 40 -10.022 -7.427 -3.820 1.00 0.00 N ATOM 589 CA ASP A 40 -10.845 -8.531 -4.299 1.00 0.00 C ATOM 590 C ASP A 40 -10.761 -9.713 -3.342 1.00 0.00 C ATOM 591 O ASP A 40 -11.604 -10.607 -3.359 1.00 0.00 O ATOM 592 CB ASP A 40 -10.390 -8.962 -5.696 1.00 0.00 C ATOM 593 CG ASP A 40 -10.406 -7.819 -6.692 1.00 0.00 C ATOM 594 OD1 ASP A 40 -9.397 -7.085 -6.780 1.00 0.00 O ATOM 595 OD2 ASP A 40 -11.424 -7.645 -7.391 1.00 0.00 O ATOM 0 H ASP A 40 -9.201 -7.238 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.880 -8.192 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.382 -9.372 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.038 -9.761 -6.055 1.00 0.00 H new ATOM 600 N LEU A 41 -9.737 -9.701 -2.503 1.00 0.00 N ATOM 601 CA LEU A 41 -9.508 -10.765 -1.541 1.00 0.00 C ATOM 602 C LEU A 41 -9.879 -10.293 -0.138 1.00 0.00 C ATOM 603 O LEU A 41 -10.444 -11.044 0.655 1.00 0.00 O ATOM 604 CB LEU A 41 -8.037 -11.189 -1.581 1.00 0.00 C ATOM 605 CG LEU A 41 -7.538 -11.657 -2.951 1.00 0.00 C ATOM 606 CD1 LEU A 41 -6.039 -11.920 -2.916 1.00 0.00 C ATOM 607 CD2 LEU A 41 -8.291 -12.902 -3.395 1.00 0.00 C ATOM 0 H LEU A 41 -9.043 -8.954 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.133 -11.620 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.423 -10.350 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.886 -11.994 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.727 -10.864 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.705 -12.252 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.515 -11.004 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.822 -12.694 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.924 -13.221 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.134 -13.700 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.356 -12.678 -3.464 1.00 0.00 H new ATOM 619 N CYS A 42 -9.545 -9.046 0.160 1.00 0.00 N ATOM 620 CA CYS A 42 -9.880 -8.445 1.439 1.00 0.00 C ATOM 621 C CYS A 42 -10.495 -7.065 1.223 1.00 0.00 C ATOM 622 O CYS A 42 -9.784 -6.096 0.959 1.00 0.00 O ATOM 623 CB CYS A 42 -8.634 -8.329 2.324 1.00 0.00 C ATOM 624 SG CYS A 42 -8.956 -7.642 3.968 1.00 0.00 S ATOM 0 H CYS A 42 -9.038 -8.428 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.605 -9.085 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.188 -9.317 2.436 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.899 -7.703 1.818 1.00 0.00 H new ATOM 0 HG CYS A 42 -10.168 -7.175 4.013 1.00 0.00 H new ATOM 630 N PRO A 43 -11.829 -6.960 1.320 1.00 0.00 N ATOM 631 CA PRO A 43 -12.541 -5.694 1.110 1.00 0.00 C ATOM 632 C PRO A 43 -12.183 -4.651 2.165 1.00 0.00 C ATOM 633 O PRO A 43 -12.201 -3.449 1.894 1.00 0.00 O ATOM 634 CB PRO A 43 -14.023 -6.081 1.212 1.00 0.00 C ATOM 635 CG PRO A 43 -14.055 -7.566 1.072 1.00 0.00 C ATOM 636 CD PRO A 43 -12.752 -8.062 1.626 1.00 0.00 C ATOM 0 HA PRO A 43 -12.281 -5.237 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.446 -5.767 2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.610 -5.600 0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.898 -7.991 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.171 -7.857 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.814 -8.252 2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.440 -8.994 1.154 1.00 0.00 H new ATOM 644 N ARG A 44 -11.841 -5.125 3.364 1.00 0.00 N ATOM 645 CA ARG A 44 -11.459 -4.252 4.475 1.00 0.00 C ATOM 646 C ARG A 44 -10.247 -3.409 4.098 1.00 0.00 C ATOM 647 O ARG A 44 -10.077 -2.284 4.568 1.00 0.00 O ATOM 648 CB ARG A 44 -11.111 -5.083 5.713 1.00 0.00 C ATOM 649 CG ARG A 44 -12.194 -6.055 6.131 1.00 0.00 C ATOM 650 CD ARG A 44 -11.750 -6.897 7.314 1.00 0.00 C ATOM 651 NE ARG A 44 -12.758 -7.879 7.692 1.00 0.00 N ATOM 652 CZ ARG A 44 -12.907 -8.353 8.927 1.00 0.00 C ATOM 653 NH1 ARG A 44 -12.107 -7.941 9.906 1.00 0.00 N ATOM 654 NH2 ARG A 44 -13.857 -9.239 9.188 1.00 0.00 N ATOM 0 H ARG A 44 -11.821 -6.119 3.592 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.305 -3.601 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.194 -5.639 5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.903 -4.408 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.099 -5.505 6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.446 -6.705 5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.820 -7.409 7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.540 -6.247 8.163 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.387 -8.224 6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.374 -7.258 9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.226 -8.308 10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.475 -9.559 8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.970 -9.601 10.135 1.00 0.00 H new ATOM 668 N LEU A 45 -9.408 -3.970 3.248 1.00 0.00 N ATOM 669 CA LEU A 45 -8.190 -3.309 2.827 1.00 0.00 C ATOM 670 C LEU A 45 -8.512 -2.071 1.995 1.00 0.00 C ATOM 671 O LEU A 45 -7.821 -1.064 2.086 1.00 0.00 O ATOM 672 CB LEU A 45 -7.329 -4.297 2.036 1.00 0.00 C ATOM 673 CG LEU A 45 -5.951 -3.796 1.613 1.00 0.00 C ATOM 674 CD1 LEU A 45 -5.153 -3.334 2.821 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.205 -4.893 0.871 1.00 0.00 C ATOM 0 H LEU A 45 -9.551 -4.891 2.833 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.633 -2.979 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.197 -5.196 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.877 -4.590 1.141 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.080 -2.944 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.174 -2.981 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.684 -2.523 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.027 -4.166 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.223 -4.527 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.087 -5.758 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.770 -5.181 -0.016 1.00 0.00 H new ATOM 687 N ALA A 46 -9.592 -2.142 1.223 1.00 0.00 N ATOM 688 CA ALA A 46 -10.043 -1.026 0.398 1.00 0.00 C ATOM 689 C ALA A 46 -10.691 0.091 1.223 1.00 0.00 C ATOM 690 O ALA A 46 -11.276 1.021 0.666 1.00 0.00 O ATOM 691 CB ALA A 46 -11.023 -1.528 -0.646 1.00 0.00 C ATOM 0 H ALA A 46 -10.179 -2.973 1.152 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.162 -0.601 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.359 -0.693 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.534 -2.270 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.881 -1.982 -0.151 1.00 0.00 H new ATOM 697 N GLU A 47 -10.593 0.003 2.543 1.00 0.00 N ATOM 698 CA GLU A 47 -11.138 1.038 3.415 1.00 0.00 C ATOM 699 C GLU A 47 -10.051 2.011 3.863 1.00 0.00 C ATOM 700 O GLU A 47 -10.172 2.656 4.902 1.00 0.00 O ATOM 701 CB GLU A 47 -11.813 0.409 4.639 1.00 0.00 C ATOM 702 CG GLU A 47 -13.119 -0.296 4.322 1.00 0.00 C ATOM 703 CD GLU A 47 -14.156 0.647 3.750 1.00 0.00 C ATOM 704 OE1 GLU A 47 -14.742 1.435 4.523 1.00 0.00 O ATOM 705 OE2 GLU A 47 -14.400 0.602 2.529 1.00 0.00 O ATOM 0 H GLU A 47 -10.143 -0.771 3.033 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.882 1.594 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.127 -0.305 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.001 1.187 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.932 -1.101 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.511 -0.756 5.229 1.00 0.00 H new ATOM 712 N VAL A 48 -8.988 2.114 3.080 1.00 0.00 N ATOM 713 CA VAL A 48 -7.916 3.046 3.390 1.00 0.00 C ATOM 714 C VAL A 48 -8.244 4.429 2.852 1.00 0.00 C ATOM 715 O VAL A 48 -8.323 4.629 1.644 1.00 0.00 O ATOM 716 CB VAL A 48 -6.561 2.601 2.799 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.464 3.581 3.192 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.202 1.192 3.238 1.00 0.00 C ATOM 0 H VAL A 48 -8.845 1.567 2.231 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.830 3.068 4.476 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.653 2.596 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.515 3.254 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.709 4.573 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.382 3.619 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.243 0.909 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.134 1.156 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.972 0.498 2.900 1.00 0.00 H new ATOM 728 N SER A 49 -8.444 5.379 3.742 1.00 0.00 N ATOM 729 CA SER A 49 -8.649 6.751 3.329 1.00 0.00 C ATOM 730 C SER A 49 -7.300 7.351 2.962 1.00 0.00 C ATOM 731 O SER A 49 -6.325 7.202 3.701 1.00 0.00 O ATOM 732 CB SER A 49 -9.311 7.560 4.445 1.00 0.00 C ATOM 733 OG SER A 49 -9.928 8.733 3.937 1.00 0.00 O ATOM 0 H SER A 49 -8.469 5.227 4.750 1.00 0.00 H new ATOM 0 HA SER A 49 -9.313 6.778 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.056 6.945 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.564 7.833 5.191 1.00 0.00 H new ATOM 0 HG SER A 49 -10.344 9.229 4.673 1.00 0.00 H new ATOM 739 N VAL A 50 -7.236 8.003 1.820 1.00 0.00 N ATOM 740 CA VAL A 50 -5.975 8.534 1.325 1.00 0.00 C ATOM 741 C VAL A 50 -6.038 10.033 1.096 1.00 0.00 C ATOM 742 O VAL A 50 -7.032 10.569 0.601 1.00 0.00 O ATOM 743 CB VAL A 50 -5.501 7.835 0.028 1.00 0.00 C ATOM 744 CG1 VAL A 50 -4.510 6.734 0.358 1.00 0.00 C ATOM 745 CG2 VAL A 50 -6.678 7.267 -0.751 1.00 0.00 C ATOM 0 H VAL A 50 -8.038 8.180 1.215 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.247 8.327 2.109 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.010 8.580 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.184 6.250 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.647 7.162 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.986 5.998 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.315 6.782 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.204 6.538 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.360 8.074 -1.020 1.00 0.00 H new ATOM 755 N GLU A 51 -4.967 10.695 1.490 1.00 0.00 N ATOM 756 CA GLU A 51 -4.828 12.130 1.346 1.00 0.00 C ATOM 757 C GLU A 51 -3.389 12.438 0.947 1.00 0.00 C ATOM 758 O GLU A 51 -2.478 11.699 1.307 1.00 0.00 O ATOM 759 CB GLU A 51 -5.196 12.804 2.670 1.00 0.00 C ATOM 760 CG GLU A 51 -5.188 14.318 2.635 1.00 0.00 C ATOM 761 CD GLU A 51 -5.851 14.908 3.860 1.00 0.00 C ATOM 762 OE1 GLU A 51 -5.212 14.952 4.932 1.00 0.00 O ATOM 763 OE2 GLU A 51 -7.031 15.306 3.765 1.00 0.00 O ATOM 0 H GLU A 51 -4.160 10.246 1.924 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.495 12.512 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.188 12.467 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.499 12.469 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.160 14.675 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.704 14.664 1.739 1.00 0.00 H new ATOM 770 N LEU A 52 -3.176 13.500 0.189 1.00 0.00 N ATOM 771 CA LEU A 52 -1.838 13.810 -0.297 1.00 0.00 C ATOM 772 C LEU A 52 -1.438 15.242 -0.002 1.00 0.00 C ATOM 773 O LEU A 52 -2.278 16.115 0.227 1.00 0.00 O ATOM 774 CB LEU A 52 -1.717 13.552 -1.803 1.00 0.00 C ATOM 775 CG LEU A 52 -1.546 12.089 -2.219 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.888 11.391 -2.380 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.739 12.006 -3.499 1.00 0.00 C ATOM 0 H LEU A 52 -3.901 14.156 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.160 13.146 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.607 13.947 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.867 14.119 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.007 11.572 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.726 10.355 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.428 11.418 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.473 11.900 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.622 10.962 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.257 12.546 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.243 12.451 -3.339 1.00 0.00 H new ATOM 789 N ARG A 53 -0.136 15.444 0.006 1.00 0.00 N ATOM 790 CA ARG A 53 0.472 16.745 0.163 1.00 0.00 C ATOM 791 C ARG A 53 1.877 16.663 -0.402 1.00 0.00 C ATOM 792 O ARG A 53 2.474 15.590 -0.373 1.00 0.00 O ATOM 793 CB ARG A 53 0.499 17.146 1.641 1.00 0.00 C ATOM 794 CG ARG A 53 1.205 18.464 1.911 1.00 0.00 C ATOM 795 CD ARG A 53 0.853 19.009 3.286 1.00 0.00 C ATOM 796 NE ARG A 53 -0.593 19.160 3.451 1.00 0.00 N ATOM 797 CZ ARG A 53 -1.169 19.899 4.395 1.00 0.00 C ATOM 798 NH1 ARG A 53 -0.434 20.583 5.262 1.00 0.00 N ATOM 799 NH2 ARG A 53 -2.489 19.958 4.464 1.00 0.00 N ATOM 0 H ARG A 53 0.542 14.689 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.102 17.505 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.525 17.213 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.991 16.358 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.283 18.323 1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.927 19.191 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.239 18.339 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.339 19.974 3.431 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.200 18.665 2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.584 20.546 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.887 21.146 5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.058 19.439 3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.937 20.523 5.185 1.00 0.00 H new ATOM 813 N MET A 54 2.381 17.769 -0.940 1.00 0.00 N ATOM 814 CA MET A 54 3.731 17.817 -1.499 1.00 0.00 C ATOM 815 C MET A 54 4.748 17.232 -0.523 1.00 0.00 C ATOM 816 O MET A 54 5.171 17.893 0.426 1.00 0.00 O ATOM 817 CB MET A 54 4.108 19.260 -1.855 1.00 0.00 C ATOM 818 CG MET A 54 5.560 19.439 -2.277 1.00 0.00 C ATOM 819 SD MET A 54 5.983 18.523 -3.769 1.00 0.00 S ATOM 820 CE MET A 54 7.742 18.855 -3.867 1.00 0.00 C ATOM 0 H MET A 54 1.872 18.651 -1.002 1.00 0.00 H new ATOM 0 HA MET A 54 3.744 17.214 -2.407 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.462 19.604 -2.662 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.910 19.898 -0.994 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.756 20.499 -2.441 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.210 19.117 -1.464 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.158 18.356 -4.742 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.905 19.929 -3.950 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.233 18.482 -2.968 1.00 0.00 H new ATOM 830 N GLY A 55 5.106 15.975 -0.749 1.00 0.00 N ATOM 831 CA GLY A 55 6.082 15.322 0.090 1.00 0.00 C ATOM 832 C GLY A 55 5.525 14.136 0.855 1.00 0.00 C ATOM 833 O GLY A 55 6.247 13.171 1.105 1.00 0.00 O ATOM 0 H GLY A 55 4.734 15.397 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.915 14.987 -0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.483 16.046 0.799 1.00 0.00 H new ATOM 837 N TYR A 56 4.244 14.168 1.215 1.00 0.00 N ATOM 838 CA TYR A 56 3.703 13.137 2.088 1.00 0.00 C ATOM 839 C TYR A 56 2.449 12.486 1.530 1.00 0.00 C ATOM 840 O TYR A 56 1.561 13.153 0.993 1.00 0.00 O ATOM 841 CB TYR A 56 3.398 13.702 3.476 1.00 0.00 C ATOM 842 CG TYR A 56 4.627 14.061 4.280 1.00 0.00 C ATOM 843 CD1 TYR A 56 5.583 13.102 4.592 1.00 0.00 C ATOM 844 CD2 TYR A 56 4.826 15.360 4.730 1.00 0.00 C ATOM 845 CE1 TYR A 56 6.704 13.427 5.329 1.00 0.00 C ATOM 846 CE2 TYR A 56 5.944 15.693 5.469 1.00 0.00 C ATOM 847 CZ TYR A 56 6.879 14.725 5.767 1.00 0.00 C ATOM 848 OH TYR A 56 7.990 15.057 6.509 1.00 0.00 O ATOM 0 H TYR A 56 3.576 14.881 0.922 1.00 0.00 H new ATOM 0 HA TYR A 56 4.474 12.370 2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.776 14.591 3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.813 12.971 4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.447 12.086 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.095 16.121 4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.439 12.671 5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.085 16.707 5.812 1.00 0.00 H new ATOM 0 HH TYR A 56 7.959 16.010 6.735 1.00 0.00 H new ATOM 858 N LEU A 57 2.398 11.175 1.671 1.00 0.00 N ATOM 859 CA LEU A 57 1.208 10.402 1.385 1.00 0.00 C ATOM 860 C LEU A 57 0.519 10.084 2.704 1.00 0.00 C ATOM 861 O LEU A 57 1.025 9.296 3.503 1.00 0.00 O ATOM 862 CB LEU A 57 1.584 9.113 0.643 1.00 0.00 C ATOM 863 CG LEU A 57 0.413 8.266 0.145 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.469 9.066 -0.795 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.923 7.014 -0.551 1.00 0.00 C ATOM 0 H LEU A 57 3.188 10.614 1.990 1.00 0.00 H new ATOM 0 HA LEU A 57 0.532 10.969 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.206 9.377 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.195 8.500 1.305 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.184 7.970 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.296 8.443 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.863 9.937 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.117 9.394 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.077 6.421 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.543 7.297 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.515 6.424 0.149 1.00 0.00 H new ATOM 877 N VAL A 58 -0.612 10.722 2.944 1.00 0.00 N ATOM 878 CA VAL A 58 -1.289 10.625 4.226 1.00 0.00 C ATOM 879 C VAL A 58 -2.395 9.579 4.180 1.00 0.00 C ATOM 880 O VAL A 58 -3.486 9.832 3.667 1.00 0.00 O ATOM 881 CB VAL A 58 -1.889 11.987 4.644 1.00 0.00 C ATOM 882 CG1 VAL A 58 -2.506 11.909 6.033 1.00 0.00 C ATOM 883 CG2 VAL A 58 -0.835 13.084 4.588 1.00 0.00 C ATOM 0 H VAL A 58 -1.084 11.317 2.263 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.544 10.325 4.963 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.679 12.235 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.921 12.881 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.300 11.162 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.740 11.628 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.281 14.033 4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.018 12.838 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.451 13.168 3.571 1.00 0.00 H new ATOM 893 N LEU A 59 -2.101 8.398 4.696 1.00 0.00 N ATOM 894 CA LEU A 59 -3.095 7.340 4.793 1.00 0.00 C ATOM 895 C LEU A 59 -3.797 7.405 6.144 1.00 0.00 C ATOM 896 O LEU A 59 -3.172 7.707 7.154 1.00 0.00 O ATOM 897 CB LEU A 59 -2.452 5.960 4.605 1.00 0.00 C ATOM 898 CG LEU A 59 -2.050 5.597 3.173 1.00 0.00 C ATOM 899 CD1 LEU A 59 -0.845 6.403 2.722 1.00 0.00 C ATOM 900 CD2 LEU A 59 -1.760 4.110 3.064 1.00 0.00 C ATOM 0 H LEU A 59 -1.180 8.146 5.055 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.826 7.488 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.564 5.906 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.148 5.204 4.969 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.886 5.841 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.582 6.124 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.084 7.466 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.002 6.198 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.476 3.869 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.945 3.848 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.651 3.545 3.336 1.00 0.00 H new ATOM 912 N LYS A 60 -5.091 7.146 6.152 1.00 0.00 N ATOM 913 CA LYS A 60 -5.879 7.153 7.382 1.00 0.00 C ATOM 914 C LYS A 60 -6.819 5.956 7.358 1.00 0.00 C ATOM 915 O LYS A 60 -7.497 5.733 6.356 1.00 0.00 O ATOM 916 CB LYS A 60 -6.686 8.455 7.477 1.00 0.00 C ATOM 917 CG LYS A 60 -5.852 9.711 7.269 1.00 0.00 C ATOM 918 CD LYS A 60 -6.718 10.959 7.198 1.00 0.00 C ATOM 919 CE LYS A 60 -5.916 12.160 6.721 1.00 0.00 C ATOM 920 NZ LYS A 60 -6.748 13.386 6.602 1.00 0.00 N ATOM 0 H LYS A 60 -5.628 6.925 5.314 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.221 7.091 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.483 8.432 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.163 8.505 8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.136 9.811 8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.275 9.616 6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.555 10.786 6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.140 11.168 8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.097 12.346 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.468 11.933 5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.165 14.168 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.534 13.209 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.128 13.640 7.536 1.00 0.00 H new ATOM 934 N ALA A 61 -6.866 5.159 8.422 1.00 0.00 N ATOM 935 CA ALA A 61 -7.692 3.949 8.359 1.00 0.00 C ATOM 936 C ALA A 61 -8.694 3.846 9.499 1.00 0.00 C ATOM 937 O ALA A 61 -8.484 4.378 10.578 1.00 0.00 O ATOM 938 CB ALA A 61 -6.816 2.707 8.329 1.00 0.00 C ATOM 0 H ALA A 61 -6.370 5.313 9.300 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.267 4.020 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.446 1.819 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.169 2.739 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.204 2.671 9.231 1.00 0.00 H new ATOM 944 N PRO A 62 -9.822 3.172 9.259 1.00 0.00 N ATOM 945 CA PRO A 62 -10.735 2.790 10.328 1.00 0.00 C ATOM 946 C PRO A 62 -10.045 1.836 11.294 1.00 0.00 C ATOM 947 O PRO A 62 -9.759 0.683 10.948 1.00 0.00 O ATOM 948 CB PRO A 62 -11.892 2.092 9.598 1.00 0.00 C ATOM 949 CG PRO A 62 -11.782 2.543 8.183 1.00 0.00 C ATOM 950 CD PRO A 62 -10.319 2.764 7.936 1.00 0.00 C ATOM 0 HA PRO A 62 -11.073 3.638 10.923 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.810 1.008 9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.855 2.370 10.027 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.185 1.794 7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.349 3.460 8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.828 1.858 7.581 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.148 3.535 7.184 1.00 0.00 H new ATOM 958 N GLY A 63 -9.719 2.336 12.475 1.00 0.00 N ATOM 959 CA GLY A 63 -9.027 1.529 13.456 1.00 0.00 C ATOM 960 C GLY A 63 -7.575 1.937 13.611 1.00 0.00 C ATOM 961 O GLY A 63 -6.969 1.714 14.659 1.00 0.00 O ATOM 0 H GLY A 63 -9.922 3.290 12.772 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.532 1.617 14.418 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.079 0.480 13.163 1.00 0.00 H new ATOM 965 N MET A 64 -7.018 2.551 12.573 1.00 0.00 N ATOM 966 CA MET A 64 -5.627 2.980 12.601 1.00 0.00 C ATOM 967 C MET A 64 -5.531 4.473 12.352 1.00 0.00 C ATOM 968 O MET A 64 -6.335 5.048 11.620 1.00 0.00 O ATOM 969 CB MET A 64 -4.782 2.233 11.563 1.00 0.00 C ATOM 970 CG MET A 64 -4.650 0.742 11.819 1.00 0.00 C ATOM 971 SD MET A 64 -3.991 0.379 13.458 1.00 0.00 S ATOM 972 CE MET A 64 -2.364 1.124 13.348 1.00 0.00 C ATOM 0 H MET A 64 -7.508 2.762 11.704 1.00 0.00 H new ATOM 0 HA MET A 64 -5.235 2.747 13.591 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.223 2.383 10.577 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.786 2.675 11.537 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.627 0.270 11.711 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.998 0.303 11.063 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.691 0.633 14.051 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.978 1.008 12.335 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.432 2.184 13.591 1.00 0.00 H new ATOM 982 N LEU A 65 -4.547 5.100 12.961 1.00 0.00 N ATOM 983 CA LEU A 65 -4.341 6.529 12.806 1.00 0.00 C ATOM 984 C LEU A 65 -3.890 6.861 11.380 1.00 0.00 C ATOM 985 O LEU A 65 -4.345 6.250 10.393 1.00 0.00 O ATOM 986 CB LEU A 65 -3.292 7.006 13.817 1.00 0.00 C ATOM 987 CG LEU A 65 -3.549 6.601 15.272 1.00 0.00 C ATOM 988 CD1 LEU A 65 -2.418 7.089 16.163 1.00 0.00 C ATOM 989 CD2 LEU A 65 -4.886 7.144 15.757 1.00 0.00 C ATOM 0 H LEU A 65 -3.872 4.641 13.572 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.284 7.043 12.991 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.319 6.617 13.516 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.231 8.093 13.766 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.588 5.513 15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.614 6.794 17.194 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.478 6.648 15.832 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.350 8.175 16.103 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.047 6.844 16.792 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.882 8.232 15.691 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.688 6.746 15.135 1.00 0.00 H new ATOM 1001 N ARG A 66 -3.022 7.855 11.276 1.00 0.00 N ATOM 1002 CA ARG A 66 -2.451 8.237 10.003 1.00 0.00 C ATOM 1003 C ARG A 66 -1.210 7.398 9.713 1.00 0.00 C ATOM 1004 O ARG A 66 -0.536 6.922 10.630 1.00 0.00 O ATOM 1005 CB ARG A 66 -2.064 9.722 10.005 1.00 0.00 C ATOM 1006 CG ARG A 66 -0.811 10.015 10.819 1.00 0.00 C ATOM 1007 CD ARG A 66 -0.304 11.432 10.606 1.00 0.00 C ATOM 1008 NE ARG A 66 1.146 11.501 10.791 1.00 0.00 N ATOM 1009 CZ ARG A 66 1.802 12.513 11.354 1.00 0.00 C ATOM 1010 NH1 ARG A 66 1.151 13.584 11.785 1.00 0.00 N ATOM 1011 NH2 ARG A 66 3.125 12.453 11.466 1.00 0.00 N ATOM 0 H ARG A 66 -2.698 8.413 12.066 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.201 8.065 9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.907 10.051 8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.893 10.306 10.404 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.024 9.863 11.877 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.029 9.307 10.546 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.563 11.768 9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.796 12.108 11.305 1.00 0.00 H new ATOM 0 HE ARG A 66 1.699 10.709 10.462 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.137 13.638 11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.664 14.354 12.215 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.629 11.636 11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.636 13.224 11.896 1.00 0.00 H new ATOM 1025 N LEU A 67 -0.938 7.203 8.441 1.00 0.00 N ATOM 1026 CA LEU A 67 0.317 6.638 7.997 1.00 0.00 C ATOM 1027 C LEU A 67 0.952 7.601 7.012 1.00 0.00 C ATOM 1028 O LEU A 67 0.624 7.603 5.826 1.00 0.00 O ATOM 1029 CB LEU A 67 0.111 5.264 7.353 1.00 0.00 C ATOM 1030 CG LEU A 67 1.364 4.631 6.743 1.00 0.00 C ATOM 1031 CD1 LEU A 67 2.429 4.405 7.804 1.00 0.00 C ATOM 1032 CD2 LEU A 67 1.018 3.326 6.045 1.00 0.00 C ATOM 0 H LEU A 67 -1.582 7.432 7.684 1.00 0.00 H new ATOM 0 HA LEU A 67 0.974 6.494 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.289 4.585 8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.645 5.357 6.573 1.00 0.00 H new ATOM 0 HG LEU A 67 1.766 5.322 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.309 3.954 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.703 5.359 8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.040 3.739 8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.922 2.891 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.587 2.631 6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.297 3.518 5.250 1.00 0.00 H new ATOM 1044 N ASP A 68 1.811 8.464 7.528 1.00 0.00 N ATOM 1045 CA ASP A 68 2.461 9.475 6.714 1.00 0.00 C ATOM 1046 C ASP A 68 3.713 8.918 6.055 1.00 0.00 C ATOM 1047 O ASP A 68 4.775 8.826 6.668 1.00 0.00 O ATOM 1048 CB ASP A 68 2.786 10.724 7.550 1.00 0.00 C ATOM 1049 CG ASP A 68 3.468 10.410 8.873 1.00 0.00 C ATOM 1050 OD1 ASP A 68 2.842 9.741 9.727 1.00 0.00 O ATOM 1051 OD2 ASP A 68 4.614 10.851 9.084 1.00 0.00 O ATOM 0 H ASP A 68 2.075 8.484 8.513 1.00 0.00 H new ATOM 0 HA ASP A 68 1.770 9.770 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.428 11.384 6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.863 11.270 7.747 1.00 0.00 H new ATOM 1056 N ILE A 69 3.563 8.518 4.803 1.00 0.00 N ATOM 1057 CA ILE A 69 4.668 7.981 4.030 1.00 0.00 C ATOM 1058 C ILE A 69 5.222 9.053 3.104 1.00 0.00 C ATOM 1059 O ILE A 69 4.481 9.630 2.309 1.00 0.00 O ATOM 1060 CB ILE A 69 4.224 6.769 3.177 1.00 0.00 C ATOM 1061 CG1 ILE A 69 3.606 5.685 4.061 1.00 0.00 C ATOM 1062 CG2 ILE A 69 5.400 6.203 2.392 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.058 4.507 3.281 1.00 0.00 C ATOM 0 H ILE A 69 2.678 8.556 4.298 1.00 0.00 H new ATOM 0 HA ILE A 69 5.434 7.655 4.733 1.00 0.00 H new ATOM 0 HB ILE A 69 3.469 7.111 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.359 5.327 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.803 6.124 4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.066 5.352 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.799 6.972 1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.178 5.880 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.635 3.778 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.282 4.852 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.862 4.042 2.711 1.00 0.00 H new ATOM 1075 N PRO A 70 6.519 9.368 3.215 1.00 0.00 N ATOM 1076 CA PRO A 70 7.181 10.265 2.272 1.00 0.00 C ATOM 1077 C PRO A 70 7.002 9.772 0.840 1.00 0.00 C ATOM 1078 O PRO A 70 7.325 8.630 0.526 1.00 0.00 O ATOM 1079 CB PRO A 70 8.653 10.201 2.681 1.00 0.00 C ATOM 1080 CG PRO A 70 8.638 9.772 4.108 1.00 0.00 C ATOM 1081 CD PRO A 70 7.432 8.889 4.267 1.00 0.00 C ATOM 0 HA PRO A 70 6.776 11.277 2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.204 9.493 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.137 11.171 2.565 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.551 9.234 4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.580 10.634 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.683 7.837 4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.990 8.987 5.258 1.00 0.00 H new ATOM 1089 N LEU A 71 6.458 10.622 -0.016 1.00 0.00 N ATOM 1090 CA LEU A 71 6.202 10.251 -1.401 1.00 0.00 C ATOM 1091 C LEU A 71 7.509 10.051 -2.155 1.00 0.00 C ATOM 1092 O LEU A 71 7.655 9.102 -2.928 1.00 0.00 O ATOM 1093 CB LEU A 71 5.367 11.333 -2.088 1.00 0.00 C ATOM 1094 CG LEU A 71 3.899 11.388 -1.667 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.252 12.678 -2.138 1.00 0.00 C ATOM 1096 CD2 LEU A 71 3.150 10.192 -2.229 1.00 0.00 C ATOM 0 H LEU A 71 6.184 11.575 0.223 1.00 0.00 H new ATOM 0 HA LEU A 71 5.649 9.311 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.822 12.303 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.414 11.176 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 71 3.852 11.358 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.207 12.696 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.775 13.528 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.308 12.738 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.105 10.241 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.211 10.203 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.596 9.272 -1.850 1.00 0.00 H new ATOM 1108 N ASP A 72 8.462 10.942 -1.919 1.00 0.00 N ATOM 1109 CA ASP A 72 9.752 10.876 -2.586 1.00 0.00 C ATOM 1110 C ASP A 72 10.757 10.082 -1.752 1.00 0.00 C ATOM 1111 O ASP A 72 11.755 10.613 -1.263 1.00 0.00 O ATOM 1112 CB ASP A 72 10.276 12.288 -2.896 1.00 0.00 C ATOM 1113 CG ASP A 72 10.407 13.167 -1.664 1.00 0.00 C ATOM 1114 OD1 ASP A 72 9.389 13.390 -0.972 1.00 0.00 O ATOM 1115 OD2 ASP A 72 11.527 13.643 -1.385 1.00 0.00 O ATOM 0 H ASP A 72 8.364 11.721 -1.268 1.00 0.00 H new ATOM 0 HA ASP A 72 9.621 10.352 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.249 12.208 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.604 12.769 -3.607 1.00 0.00 H new ATOM 1120 N VAL A 73 10.466 8.800 -1.575 1.00 0.00 N ATOM 1121 CA VAL A 73 11.384 7.896 -0.896 1.00 0.00 C ATOM 1122 C VAL A 73 12.666 7.762 -1.706 1.00 0.00 C ATOM 1123 O VAL A 73 12.617 7.526 -2.914 1.00 0.00 O ATOM 1124 CB VAL A 73 10.768 6.490 -0.700 1.00 0.00 C ATOM 1125 CG1 VAL A 73 11.739 5.559 0.014 1.00 0.00 C ATOM 1126 CG2 VAL A 73 9.458 6.572 0.062 1.00 0.00 C ATOM 0 H VAL A 73 9.601 8.363 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 73 11.594 8.320 0.086 1.00 0.00 H new ATOM 0 HB VAL A 73 10.566 6.079 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.279 4.579 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.650 5.460 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.984 5.971 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.046 5.571 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.634 7.016 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.752 7.188 -0.494 1.00 0.00 H new ATOM 1136 N ILE A 74 13.806 7.922 -1.051 1.00 0.00 N ATOM 1137 CA ILE A 74 15.081 7.776 -1.730 1.00 0.00 C ATOM 1138 C ILE A 74 15.255 6.323 -2.127 1.00 0.00 C ATOM 1139 O ILE A 74 15.007 5.416 -1.333 1.00 0.00 O ATOM 1140 CB ILE A 74 16.269 8.199 -0.852 1.00 0.00 C ATOM 1141 CG1 ILE A 74 15.920 9.449 -0.043 1.00 0.00 C ATOM 1142 CG2 ILE A 74 17.498 8.452 -1.711 1.00 0.00 C ATOM 1143 CD1 ILE A 74 16.983 9.846 0.960 1.00 0.00 C ATOM 0 H ILE A 74 13.873 8.151 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 74 15.070 8.430 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 74 16.490 7.389 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.753 10.279 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 74 14.982 9.278 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.331 8.751 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.760 7.541 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.285 9.246 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 74 16.663 10.741 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 74 17.134 9.033 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.918 10.050 0.438 1.00 0.00 H new ATOM 1155 N GLU A 75 15.715 6.110 -3.337 1.00 0.00 N ATOM 1156 CA GLU A 75 15.718 4.776 -3.920 1.00 0.00 C ATOM 1157 C GLU A 75 17.041 4.075 -3.634 1.00 0.00 C ATOM 1158 O GLU A 75 17.347 3.021 -4.189 1.00 0.00 O ATOM 1159 CB GLU A 75 15.429 4.854 -5.425 1.00 0.00 C ATOM 1160 CG GLU A 75 14.816 3.582 -5.997 1.00 0.00 C ATOM 1161 CD GLU A 75 14.254 3.767 -7.397 1.00 0.00 C ATOM 1162 OE1 GLU A 75 13.161 4.360 -7.529 1.00 0.00 O ATOM 1163 OE2 GLU A 75 14.889 3.297 -8.366 1.00 0.00 O ATOM 0 H GLU A 75 16.093 6.839 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 75 14.926 4.183 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 75 14.754 5.689 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 75 16.358 5.069 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.573 2.798 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.020 3.240 -5.335 1.00 0.00 H new ATOM 1170 N ASP A 76 17.796 4.665 -2.726 1.00 0.00 N ATOM 1171 CA ASP A 76 19.067 4.101 -2.283 1.00 0.00 C ATOM 1172 C ASP A 76 19.102 4.042 -0.764 1.00 0.00 C ATOM 1173 O ASP A 76 20.000 3.444 -0.175 1.00 0.00 O ATOM 1174 CB ASP A 76 20.244 4.953 -2.765 1.00 0.00 C ATOM 1175 CG ASP A 76 20.226 5.213 -4.253 1.00 0.00 C ATOM 1176 OD1 ASP A 76 20.725 4.363 -5.019 1.00 0.00 O ATOM 1177 OD2 ASP A 76 19.720 6.282 -4.663 1.00 0.00 O ATOM 0 H ASP A 76 17.551 5.546 -2.273 1.00 0.00 H new ATOM 0 HA ASP A 76 19.155 3.100 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 76 20.233 5.906 -2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 76 21.176 4.453 -2.502 1.00 0.00 H new ATOM 1182 N ASP A 77 18.103 4.655 -0.141 1.00 0.00 N ATOM 1183 CA ASP A 77 18.101 4.855 1.304 1.00 0.00 C ATOM 1184 C ASP A 77 17.639 3.601 2.038 1.00 0.00 C ATOM 1185 O ASP A 77 18.451 2.773 2.452 1.00 0.00 O ATOM 1186 CB ASP A 77 17.206 6.049 1.651 1.00 0.00 C ATOM 1187 CG ASP A 77 17.209 6.398 3.124 1.00 0.00 C ATOM 1188 OD1 ASP A 77 18.296 6.686 3.670 1.00 0.00 O ATOM 1189 OD2 ASP A 77 16.118 6.424 3.732 1.00 0.00 O ATOM 0 H ASP A 77 17.279 5.024 -0.616 1.00 0.00 H new ATOM 0 HA ASP A 77 19.120 5.062 1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.534 6.917 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.185 5.830 1.340 1.00 0.00 H new ATOM 1194 N ASP A 78 16.332 3.456 2.180 1.00 0.00 N ATOM 1195 CA ASP A 78 15.759 2.270 2.804 1.00 0.00 C ATOM 1196 C ASP A 78 14.823 1.578 1.836 1.00 0.00 C ATOM 1197 O ASP A 78 13.811 1.002 2.231 1.00 0.00 O ATOM 1198 CB ASP A 78 15.017 2.619 4.099 1.00 0.00 C ATOM 1199 CG ASP A 78 15.904 2.510 5.323 1.00 0.00 C ATOM 1200 OD1 ASP A 78 16.042 1.396 5.872 1.00 0.00 O ATOM 1201 OD2 ASP A 78 16.463 3.538 5.751 1.00 0.00 O ATOM 0 H ASP A 78 15.645 4.144 1.872 1.00 0.00 H new ATOM 0 HA ASP A 78 16.577 1.596 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.625 3.634 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.161 1.954 4.214 1.00 0.00 H new ATOM 1206 N SER A 79 15.177 1.639 0.562 1.00 0.00 N ATOM 1207 CA SER A 79 14.419 0.976 -0.482 1.00 0.00 C ATOM 1208 C SER A 79 14.624 -0.532 -0.407 1.00 0.00 C ATOM 1209 O SER A 79 15.403 -1.110 -1.168 1.00 0.00 O ATOM 1210 CB SER A 79 14.849 1.522 -1.842 1.00 0.00 C ATOM 1211 OG SER A 79 16.250 1.753 -1.863 1.00 0.00 O ATOM 0 H SER A 79 15.995 2.148 0.226 1.00 0.00 H new ATOM 0 HA SER A 79 13.356 1.174 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.579 0.815 -2.627 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.318 2.450 -2.053 1.00 0.00 H new ATOM 0 HG SER A 79 16.639 1.335 -2.660 1.00 0.00 H new ATOM 1217 N VAL A 80 13.944 -1.156 0.540 1.00 0.00 N ATOM 1218 CA VAL A 80 14.057 -2.586 0.751 1.00 0.00 C ATOM 1219 C VAL A 80 13.479 -3.344 -0.433 1.00 0.00 C ATOM 1220 O VAL A 80 12.265 -3.344 -0.646 1.00 0.00 O ATOM 1221 CB VAL A 80 13.332 -3.026 2.040 1.00 0.00 C ATOM 1222 CG1 VAL A 80 13.487 -4.523 2.264 1.00 0.00 C ATOM 1223 CG2 VAL A 80 13.855 -2.252 3.238 1.00 0.00 C ATOM 0 H VAL A 80 13.302 -0.688 1.180 1.00 0.00 H new ATOM 0 HA VAL A 80 15.117 -2.817 0.853 1.00 0.00 H new ATOM 0 HB VAL A 80 12.271 -2.807 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.968 -4.810 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.060 -5.063 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.545 -4.770 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.332 -2.576 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.923 -2.437 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.686 -1.186 3.084 1.00 0.00 H new ATOM 1233 N ARG A 81 14.354 -3.951 -1.222 1.00 0.00 N ATOM 1234 CA ARG A 81 13.915 -4.787 -2.323 1.00 0.00 C ATOM 1235 C ARG A 81 13.212 -6.018 -1.777 1.00 0.00 C ATOM 1236 O ARG A 81 13.826 -6.866 -1.129 1.00 0.00 O ATOM 1237 CB ARG A 81 15.091 -5.209 -3.204 1.00 0.00 C ATOM 1238 CG ARG A 81 14.678 -6.123 -4.345 1.00 0.00 C ATOM 1239 CD ARG A 81 15.874 -6.695 -5.088 1.00 0.00 C ATOM 1240 NE ARG A 81 15.451 -7.548 -6.194 1.00 0.00 N ATOM 1241 CZ ARG A 81 15.719 -8.846 -6.302 1.00 0.00 C ATOM 1242 NH1 ARG A 81 16.511 -9.453 -5.422 1.00 0.00 N ATOM 1243 NH2 ARG A 81 15.203 -9.540 -7.310 1.00 0.00 N ATOM 0 H ARG A 81 15.366 -3.879 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 81 13.225 -4.209 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.569 -4.319 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.835 -5.717 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.073 -6.940 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.051 -5.568 -5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.492 -5.882 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.493 -7.269 -4.399 1.00 0.00 H new ATOM 0 HE ARG A 81 14.908 -7.115 -6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.920 -8.922 -4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.709 -10.449 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.606 -9.077 -7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.404 -10.536 -7.399 1.00 0.00 H new ATOM 1257 N TYR A 82 11.923 -6.096 -2.021 1.00 0.00 N ATOM 1258 CA TYR A 82 11.123 -7.207 -1.560 1.00 0.00 C ATOM 1259 C TYR A 82 10.812 -8.111 -2.746 1.00 0.00 C ATOM 1260 O TYR A 82 10.051 -7.741 -3.640 1.00 0.00 O ATOM 1261 CB TYR A 82 9.836 -6.677 -0.921 1.00 0.00 C ATOM 1262 CG TYR A 82 9.305 -7.526 0.212 1.00 0.00 C ATOM 1263 CD1 TYR A 82 9.865 -7.446 1.481 1.00 0.00 C ATOM 1264 CD2 TYR A 82 8.235 -8.389 0.022 1.00 0.00 C ATOM 1265 CE1 TYR A 82 9.377 -8.204 2.527 1.00 0.00 C ATOM 1266 CE2 TYR A 82 7.735 -9.148 1.066 1.00 0.00 C ATOM 1267 CZ TYR A 82 8.311 -9.052 2.314 1.00 0.00 C ATOM 1268 OH TYR A 82 7.807 -9.796 3.360 1.00 0.00 O ATOM 0 H TYR A 82 11.401 -5.392 -2.544 1.00 0.00 H new ATOM 0 HA TYR A 82 11.664 -7.783 -0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.018 -5.669 -0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.068 -6.599 -1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.697 -6.779 1.652 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.785 -8.470 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.828 -8.133 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.898 -9.811 0.903 1.00 0.00 H new ATOM 0 HH TYR A 82 7.057 -10.341 3.042 1.00 0.00 H new ATOM 1278 N GLN A 83 11.438 -9.273 -2.784 1.00 0.00 N ATOM 1279 CA GLN A 83 11.263 -10.179 -3.905 1.00 0.00 C ATOM 1280 C GLN A 83 9.957 -10.952 -3.751 1.00 0.00 C ATOM 1281 O GLN A 83 9.801 -11.752 -2.826 1.00 0.00 O ATOM 1282 CB GLN A 83 12.460 -11.126 -4.005 1.00 0.00 C ATOM 1283 CG GLN A 83 12.503 -11.916 -5.300 1.00 0.00 C ATOM 1284 CD GLN A 83 13.797 -12.687 -5.468 1.00 0.00 C ATOM 1285 OE1 GLN A 83 14.766 -12.177 -6.030 1.00 0.00 O ATOM 1286 NE2 GLN A 83 13.821 -13.914 -4.983 1.00 0.00 N ATOM 0 H GLN A 83 12.068 -9.611 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 83 11.209 -9.604 -4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.379 -10.548 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.434 -11.821 -3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.664 -12.611 -5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 83 12.378 -11.235 -6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.994 -14.297 -4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 83 14.666 -14.479 -5.067 1.00 0.00 H new ATOM 1295 N MET A 84 9.018 -10.698 -4.654 1.00 0.00 N ATOM 1296 CA MET A 84 7.691 -11.290 -4.566 1.00 0.00 C ATOM 1297 C MET A 84 7.530 -12.423 -5.558 1.00 0.00 C ATOM 1298 O MET A 84 8.361 -12.605 -6.448 1.00 0.00 O ATOM 1299 CB MET A 84 6.606 -10.237 -4.811 1.00 0.00 C ATOM 1300 CG MET A 84 6.381 -9.283 -3.647 1.00 0.00 C ATOM 1301 SD MET A 84 5.494 -10.024 -2.256 1.00 0.00 S ATOM 1302 CE MET A 84 6.718 -11.143 -1.579 1.00 0.00 C ATOM 0 H MET A 84 9.153 -10.084 -5.457 1.00 0.00 H new ATOM 0 HA MET A 84 7.579 -11.689 -3.558 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.873 -9.657 -5.694 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.668 -10.745 -5.035 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.347 -8.918 -3.297 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.822 -8.417 -4.002 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.560 -11.249 -0.506 1.00 0.00 H new ATOM 0 HE2 MET A 84 6.624 -12.118 -2.058 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.716 -10.744 -1.761 1.00 0.00 H new ATOM 1312 N LEU A 85 6.445 -13.162 -5.413 1.00 0.00 N ATOM 1313 CA LEU A 85 6.151 -14.267 -6.295 1.00 0.00 C ATOM 1314 C LEU A 85 4.665 -14.271 -6.611 1.00 0.00 C ATOM 1315 O LEU A 85 3.866 -14.897 -5.912 1.00 0.00 O ATOM 1316 CB LEU A 85 6.557 -15.598 -5.663 1.00 0.00 C ATOM 1317 CG LEU A 85 6.376 -16.815 -6.569 1.00 0.00 C ATOM 1318 CD1 LEU A 85 7.437 -16.838 -7.656 1.00 0.00 C ATOM 1319 CD2 LEU A 85 6.410 -18.091 -5.756 1.00 0.00 C ATOM 0 H LEU A 85 5.749 -13.011 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 85 6.724 -14.145 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.603 -15.538 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.972 -15.747 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 85 5.401 -16.743 -7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.290 -17.713 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.358 -15.934 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.425 -16.884 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.280 -18.947 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.369 -18.171 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.606 -18.075 -5.020 1.00 0.00 H new ATOM 1331 N VAL A 86 4.294 -13.544 -7.645 1.00 0.00 N ATOM 1332 CA VAL A 86 2.893 -13.394 -7.998 1.00 0.00 C ATOM 1333 C VAL A 86 2.481 -14.504 -8.955 1.00 0.00 C ATOM 1334 O VAL A 86 2.833 -14.487 -10.136 1.00 0.00 O ATOM 1335 CB VAL A 86 2.597 -12.017 -8.632 1.00 0.00 C ATOM 1336 CG1 VAL A 86 1.098 -11.781 -8.735 1.00 0.00 C ATOM 1337 CG2 VAL A 86 3.250 -10.904 -7.832 1.00 0.00 C ATOM 0 H VAL A 86 4.941 -13.047 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 86 2.313 -13.462 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 86 3.018 -12.013 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.913 -10.805 -9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.649 -12.557 -9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.656 -11.811 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.028 -9.943 -8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.862 -10.912 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.329 -11.056 -7.811 1.00 0.00 H new ATOM 1347 N GLY A 87 1.774 -15.488 -8.425 1.00 0.00 N ATOM 1348 CA GLY A 87 1.389 -16.634 -9.217 1.00 0.00 C ATOM 1349 C GLY A 87 2.554 -17.579 -9.416 1.00 0.00 C ATOM 1350 O GLY A 87 2.651 -18.605 -8.744 1.00 0.00 O ATOM 0 H GLY A 87 1.459 -15.513 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.571 -17.160 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.018 -16.301 -10.186 1.00 0.00 H new ATOM 1354 N GLU A 88 3.445 -17.218 -10.326 1.00 0.00 N ATOM 1355 CA GLU A 88 4.638 -18.010 -10.584 1.00 0.00 C ATOM 1356 C GLU A 88 5.816 -17.115 -10.960 1.00 0.00 C ATOM 1357 O GLU A 88 6.896 -17.607 -11.282 1.00 0.00 O ATOM 1358 CB GLU A 88 4.377 -19.013 -11.710 1.00 0.00 C ATOM 1359 CG GLU A 88 4.047 -18.357 -13.040 1.00 0.00 C ATOM 1360 CD GLU A 88 3.882 -19.360 -14.157 1.00 0.00 C ATOM 1361 OE1 GLU A 88 4.883 -19.994 -14.545 1.00 0.00 O ATOM 1362 OE2 GLU A 88 2.752 -19.507 -14.665 1.00 0.00 O ATOM 0 H GLU A 88 3.364 -16.379 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 88 4.886 -18.550 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.256 -19.645 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.553 -19.666 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.129 -17.778 -12.938 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.839 -17.655 -13.301 1.00 0.00 H new ATOM 1369 N GLN A 89 5.618 -15.802 -10.913 1.00 0.00 N ATOM 1370 CA GLN A 89 6.657 -14.882 -11.353 1.00 0.00 C ATOM 1371 C GLN A 89 7.348 -14.205 -10.179 1.00 0.00 C ATOM 1372 O GLN A 89 6.712 -13.519 -9.374 1.00 0.00 O ATOM 1373 CB GLN A 89 6.100 -13.820 -12.302 1.00 0.00 C ATOM 1374 CG GLN A 89 7.198 -12.962 -12.915 1.00 0.00 C ATOM 1375 CD GLN A 89 6.724 -12.058 -14.039 1.00 0.00 C ATOM 1376 OE1 GLN A 89 7.480 -11.774 -14.967 1.00 0.00 O ATOM 1377 NE2 GLN A 89 5.492 -11.582 -13.960 1.00 0.00 N ATOM 0 H GLN A 89 4.762 -15.358 -10.580 1.00 0.00 H new ATOM 0 HA GLN A 89 7.393 -15.481 -11.888 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.535 -14.306 -13.097 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.402 -13.181 -11.760 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.644 -12.348 -12.133 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.984 -13.614 -13.295 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.895 -11.841 -13.175 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.140 -10.956 -14.684 1.00 0.00 H new ATOM 1386 N THR A 90 8.652 -14.412 -10.093 1.00 0.00 N ATOM 1387 CA THR A 90 9.474 -13.753 -9.098 1.00 0.00 C ATOM 1388 C THR A 90 9.786 -12.332 -9.563 1.00 0.00 C ATOM 1389 O THR A 90 10.435 -12.140 -10.593 1.00 0.00 O ATOM 1390 CB THR A 90 10.785 -14.529 -8.883 1.00 0.00 C ATOM 1391 OG1 THR A 90 10.577 -15.924 -9.164 1.00 0.00 O ATOM 1392 CG2 THR A 90 11.275 -14.376 -7.453 1.00 0.00 C ATOM 0 H THR A 90 9.167 -15.040 -10.710 1.00 0.00 H new ATOM 0 HA THR A 90 8.931 -13.721 -8.153 1.00 0.00 H new ATOM 0 HB THR A 90 11.537 -14.122 -9.559 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.415 -16.414 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.203 -14.933 -7.325 1.00 0.00 H new ATOM 0 HG22 THR A 90 11.452 -13.322 -7.240 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.522 -14.763 -6.767 1.00 0.00 H new ATOM 1400 N VAL A 91 9.311 -11.343 -8.816 1.00 0.00 N ATOM 1401 CA VAL A 91 9.383 -9.952 -9.255 1.00 0.00 C ATOM 1402 C VAL A 91 9.971 -9.025 -8.197 1.00 0.00 C ATOM 1403 O VAL A 91 10.050 -9.368 -7.013 1.00 0.00 O ATOM 1404 CB VAL A 91 7.996 -9.424 -9.664 1.00 0.00 C ATOM 1405 CG1 VAL A 91 7.611 -9.950 -11.034 1.00 0.00 C ATOM 1406 CG2 VAL A 91 6.951 -9.817 -8.634 1.00 0.00 C ATOM 0 H VAL A 91 8.872 -11.476 -7.905 1.00 0.00 H new ATOM 0 HA VAL A 91 10.051 -9.950 -10.117 1.00 0.00 H new ATOM 0 HB VAL A 91 8.043 -8.336 -9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.628 -9.567 -11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.346 -9.622 -11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.582 -11.039 -11.011 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.977 -9.435 -8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.907 -10.903 -8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.218 -9.395 -7.665 1.00 0.00 H new ATOM 1416 N ASP A 92 10.358 -7.837 -8.650 1.00 0.00 N ATOM 1417 CA ASP A 92 10.989 -6.827 -7.806 1.00 0.00 C ATOM 1418 C ASP A 92 9.992 -5.767 -7.352 1.00 0.00 C ATOM 1419 O ASP A 92 9.500 -4.979 -8.164 1.00 0.00 O ATOM 1420 CB ASP A 92 12.113 -6.125 -8.577 1.00 0.00 C ATOM 1421 CG ASP A 92 13.433 -6.862 -8.548 1.00 0.00 C ATOM 1422 OD1 ASP A 92 13.473 -8.066 -8.872 1.00 0.00 O ATOM 1423 OD2 ASP A 92 14.453 -6.228 -8.206 1.00 0.00 O ATOM 0 H ASP A 92 10.242 -7.545 -9.620 1.00 0.00 H new ATOM 0 HA ASP A 92 11.384 -7.343 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 92 11.803 -5.997 -9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.256 -5.128 -8.162 1.00 0.00 H new ATOM 1428 N VAL A 93 9.702 -5.733 -6.061 1.00 0.00 N ATOM 1429 CA VAL A 93 8.901 -4.655 -5.495 1.00 0.00 C ATOM 1430 C VAL A 93 9.668 -4.024 -4.335 1.00 0.00 C ATOM 1431 O VAL A 93 10.508 -4.674 -3.722 1.00 0.00 O ATOM 1432 CB VAL A 93 7.509 -5.140 -5.012 1.00 0.00 C ATOM 1433 CG1 VAL A 93 6.802 -5.938 -6.101 1.00 0.00 C ATOM 1434 CG2 VAL A 93 7.623 -5.960 -3.741 1.00 0.00 C ATOM 0 H VAL A 93 10.007 -6.435 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 93 8.723 -3.920 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 93 6.911 -4.256 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.828 -6.267 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.667 -5.311 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.404 -6.808 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.631 -6.285 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.249 -6.833 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.071 -5.352 -2.955 1.00 0.00 H new ATOM 1444 N VAL A 94 9.425 -2.755 -4.065 1.00 0.00 N ATOM 1445 CA VAL A 94 10.118 -2.070 -2.983 1.00 0.00 C ATOM 1446 C VAL A 94 9.185 -1.856 -1.793 1.00 0.00 C ATOM 1447 O VAL A 94 7.992 -1.613 -1.970 1.00 0.00 O ATOM 1448 CB VAL A 94 10.725 -0.731 -3.467 1.00 0.00 C ATOM 1449 CG1 VAL A 94 11.307 0.070 -2.312 1.00 0.00 C ATOM 1450 CG2 VAL A 94 11.800 -1.002 -4.516 1.00 0.00 C ATOM 0 H VAL A 94 8.757 -2.178 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 94 10.942 -2.704 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 94 9.925 -0.137 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.724 1.003 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.521 0.290 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.093 -0.509 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.225 -0.057 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.587 -1.618 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.357 -1.525 -5.364 1.00 0.00 H new ATOM 1460 N ASP A 95 9.733 -1.996 -0.591 1.00 0.00 N ATOM 1461 CA ASP A 95 8.972 -1.822 0.643 1.00 0.00 C ATOM 1462 C ASP A 95 9.086 -0.385 1.145 1.00 0.00 C ATOM 1463 O ASP A 95 10.195 0.132 1.311 1.00 0.00 O ATOM 1464 CB ASP A 95 9.487 -2.807 1.706 1.00 0.00 C ATOM 1465 CG ASP A 95 8.744 -2.727 3.030 1.00 0.00 C ATOM 1466 OD1 ASP A 95 7.649 -3.319 3.143 1.00 0.00 O ATOM 1467 OD2 ASP A 95 9.271 -2.113 3.976 1.00 0.00 O ATOM 0 H ASP A 95 10.714 -2.233 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 95 7.920 -2.028 0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.407 -3.822 1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.546 -2.616 1.882 1.00 0.00 H new ATOM 1472 N GLU A 96 7.942 0.261 1.370 1.00 0.00 N ATOM 1473 CA GLU A 96 7.925 1.646 1.849 1.00 0.00 C ATOM 1474 C GLU A 96 8.382 1.745 3.300 1.00 0.00 C ATOM 1475 O GLU A 96 8.671 2.838 3.797 1.00 0.00 O ATOM 1476 CB GLU A 96 6.531 2.272 1.721 1.00 0.00 C ATOM 1477 CG GLU A 96 6.148 2.670 0.304 1.00 0.00 C ATOM 1478 CD GLU A 96 5.778 1.490 -0.564 1.00 0.00 C ATOM 1479 OE1 GLU A 96 4.623 1.023 -0.464 1.00 0.00 O ATOM 1480 OE2 GLU A 96 6.627 1.042 -1.358 1.00 0.00 O ATOM 0 H GLU A 96 7.018 -0.149 1.230 1.00 0.00 H new ATOM 0 HA GLU A 96 8.622 2.196 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.793 1.565 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.483 3.155 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.307 3.363 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.980 3.204 -0.155 1.00 0.00 H new ATOM 1487 N GLY A 97 8.440 0.615 3.982 1.00 0.00 N ATOM 1488 CA GLY A 97 8.870 0.615 5.356 1.00 0.00 C ATOM 1489 C GLY A 97 8.028 -0.280 6.239 1.00 0.00 C ATOM 1490 O GLY A 97 6.821 -0.448 6.018 1.00 0.00 O ATOM 0 H GLY A 97 8.196 -0.301 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.910 0.291 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.835 1.634 5.742 1.00 0.00 H new ATOM 1494 N GLU A 98 8.660 -0.829 7.265 1.00 0.00 N ATOM 1495 CA GLU A 98 7.988 -1.702 8.220 1.00 0.00 C ATOM 1496 C GLU A 98 6.918 -0.939 9.001 1.00 0.00 C ATOM 1497 O GLU A 98 6.077 -1.537 9.671 1.00 0.00 O ATOM 1498 CB GLU A 98 9.017 -2.320 9.165 1.00 0.00 C ATOM 1499 CG GLU A 98 9.934 -1.294 9.809 1.00 0.00 C ATOM 1500 CD GLU A 98 11.078 -1.933 10.560 1.00 0.00 C ATOM 1501 OE1 GLU A 98 12.134 -2.183 9.943 1.00 0.00 O ATOM 1502 OE2 GLU A 98 10.930 -2.182 11.776 1.00 0.00 O ATOM 0 H GLU A 98 9.651 -0.684 7.460 1.00 0.00 H new ATOM 0 HA GLU A 98 7.487 -2.501 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.496 -2.873 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.620 -3.041 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.333 -0.634 9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.356 -0.673 10.493 1.00 0.00 H new ATOM 1509 N LEU A 99 6.960 0.385 8.907 1.00 0.00 N ATOM 1510 CA LEU A 99 5.931 1.228 9.491 1.00 0.00 C ATOM 1511 C LEU A 99 4.609 0.990 8.769 1.00 0.00 C ATOM 1512 O LEU A 99 3.559 0.852 9.394 1.00 0.00 O ATOM 1513 CB LEU A 99 6.333 2.704 9.384 1.00 0.00 C ATOM 1514 CG LEU A 99 5.347 3.701 9.998 1.00 0.00 C ATOM 1515 CD1 LEU A 99 5.231 3.482 11.500 1.00 0.00 C ATOM 1516 CD2 LEU A 99 5.772 5.131 9.692 1.00 0.00 C ATOM 0 H LEU A 99 7.701 0.897 8.429 1.00 0.00 H new ATOM 0 HA LEU A 99 5.816 0.976 10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.302 2.835 9.866 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.465 2.951 8.331 1.00 0.00 H new ATOM 0 HG LEU A 99 4.366 3.534 9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.526 4.200 11.919 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.877 2.470 11.694 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.208 3.620 11.964 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.059 5.825 10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.763 5.313 10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.798 5.280 8.613 1.00 0.00 H new ATOM 1528 N ALA A 100 4.679 0.916 7.442 1.00 0.00 N ATOM 1529 CA ALA A 100 3.504 0.651 6.624 1.00 0.00 C ATOM 1530 C ALA A 100 3.031 -0.781 6.824 1.00 0.00 C ATOM 1531 O ALA A 100 1.830 -1.059 6.833 1.00 0.00 O ATOM 1532 CB ALA A 100 3.811 0.908 5.154 1.00 0.00 C ATOM 0 H ALA A 100 5.542 1.037 6.911 1.00 0.00 H new ATOM 0 HA ALA A 100 2.707 1.326 6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.923 0.705 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.109 1.948 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.622 0.255 4.832 1.00 0.00 H new ATOM 1538 N ALA A 101 3.992 -1.687 6.989 1.00 0.00 N ATOM 1539 CA ALA A 101 3.690 -3.093 7.245 1.00 0.00 C ATOM 1540 C ALA A 101 2.869 -3.256 8.522 1.00 0.00 C ATOM 1541 O ALA A 101 1.811 -3.888 8.516 1.00 0.00 O ATOM 1542 CB ALA A 101 4.974 -3.903 7.339 1.00 0.00 C ATOM 0 H ALA A 101 4.988 -1.472 6.950 1.00 0.00 H new ATOM 0 HA ALA A 101 3.097 -3.466 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.732 -4.948 7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.524 -3.824 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.588 -3.518 8.153 1.00 0.00 H new ATOM 1548 N ALA A 102 3.353 -2.674 9.613 1.00 0.00 N ATOM 1549 CA ALA A 102 2.659 -2.748 10.896 1.00 0.00 C ATOM 1550 C ALA A 102 1.293 -2.070 10.822 1.00 0.00 C ATOM 1551 O ALA A 102 0.302 -2.562 11.374 1.00 0.00 O ATOM 1552 CB ALA A 102 3.505 -2.114 11.988 1.00 0.00 C ATOM 0 H ALA A 102 4.225 -2.145 9.636 1.00 0.00 H new ATOM 0 HA ALA A 102 2.501 -3.799 11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.977 -2.175 12.939 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.455 -2.643 12.066 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.691 -1.068 11.743 1.00 0.00 H new ATOM 1558 N TRP A 103 1.247 -0.950 10.115 1.00 0.00 N ATOM 1559 CA TRP A 103 0.028 -0.168 9.988 1.00 0.00 C ATOM 1560 C TRP A 103 -1.103 -1.008 9.394 1.00 0.00 C ATOM 1561 O TRP A 103 -2.234 -0.984 9.889 1.00 0.00 O ATOM 1562 CB TRP A 103 0.294 1.065 9.120 1.00 0.00 C ATOM 1563 CG TRP A 103 -0.820 2.065 9.121 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -1.107 2.970 10.101 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.780 2.279 8.082 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -2.191 3.729 9.738 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.622 3.326 8.502 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -2.012 1.688 6.836 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.672 3.792 7.722 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -3.055 2.155 6.062 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.874 3.198 6.509 1.00 0.00 C ATOM 0 H TRP A 103 2.048 -0.561 9.617 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.284 0.155 10.981 1.00 0.00 H new ATOM 0 HB2 TRP A 103 1.205 1.552 9.468 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.477 0.742 8.095 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.561 3.074 11.027 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -2.608 4.473 10.298 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.386 0.881 6.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.307 4.596 8.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.242 1.709 5.097 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.683 3.541 5.881 1.00 0.00 H new ATOM 1582 N ILE A 104 -0.801 -1.775 8.351 1.00 0.00 N ATOM 1583 CA ILE A 104 -1.835 -2.559 7.696 1.00 0.00 C ATOM 1584 C ILE A 104 -2.015 -3.921 8.364 1.00 0.00 C ATOM 1585 O ILE A 104 -3.093 -4.502 8.306 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.579 -2.724 6.176 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -2.898 -2.584 5.417 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -0.947 -4.072 5.858 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.647 -1.305 5.731 1.00 0.00 C ATOM 0 H ILE A 104 0.132 -1.868 7.950 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.763 -1.998 7.809 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.884 -1.945 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.697 -2.624 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.536 -3.436 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.782 -4.152 4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.007 -4.159 6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.612 -4.872 6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.573 -1.275 5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.880 -1.272 6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.028 -0.447 5.468 1.00 0.00 H new ATOM 1601 N SER A 105 -0.988 -4.431 9.027 1.00 0.00 N ATOM 1602 CA SER A 105 -1.137 -5.693 9.738 1.00 0.00 C ATOM 1603 C SER A 105 -2.072 -5.511 10.934 1.00 0.00 C ATOM 1604 O SER A 105 -2.567 -6.480 11.501 1.00 0.00 O ATOM 1605 CB SER A 105 0.215 -6.249 10.177 1.00 0.00 C ATOM 1606 OG SER A 105 0.985 -5.264 10.834 1.00 0.00 O ATOM 0 H SER A 105 -0.064 -4.004 9.088 1.00 0.00 H new ATOM 0 HA SER A 105 -1.578 -6.421 9.057 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.063 -7.099 10.843 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.758 -6.619 9.307 1.00 0.00 H new ATOM 0 HG SER A 105 0.428 -4.477 11.011 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.305 -4.257 11.310 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.316 -3.935 12.314 1.00 0.00 C ATOM 1614 C ASN A 106 -4.689 -3.710 11.674 1.00 0.00 C ATOM 1615 O ASN A 106 -5.695 -4.220 12.163 1.00 0.00 O ATOM 1616 CB ASN A 106 -2.906 -2.705 13.122 1.00 0.00 C ATOM 1617 CG ASN A 106 -1.919 -3.031 14.224 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -2.310 -3.346 15.349 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -0.634 -2.963 13.914 1.00 0.00 N ATOM 0 H ASN A 106 -1.809 -3.448 10.936 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.391 -4.789 12.987 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.466 -1.966 12.453 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.795 -2.250 13.559 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.072 -3.175 14.618 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.350 -2.698 12.971 1.00 0.00 H new ATOM 1626 N HIS A 107 -4.732 -2.949 10.577 1.00 0.00 N ATOM 1627 CA HIS A 107 -5.999 -2.656 9.896 1.00 0.00 C ATOM 1628 C HIS A 107 -6.513 -3.867 9.114 1.00 0.00 C ATOM 1629 O HIS A 107 -7.683 -4.223 9.215 1.00 0.00 O ATOM 1630 CB HIS A 107 -5.855 -1.441 8.964 1.00 0.00 C ATOM 1631 CG HIS A 107 -7.021 -1.240 8.031 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -8.265 -0.805 8.444 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -7.124 -1.442 6.695 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -9.076 -0.754 7.402 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.411 -1.133 6.331 1.00 0.00 N ATOM 0 H HIS A 107 -3.911 -2.527 10.143 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.732 -2.419 10.667 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.730 -0.544 9.571 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.946 -1.555 8.373 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.338 -1.783 6.038 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.113 -0.452 7.425 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.790 -1.188 5.386 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.648 -4.470 8.310 1.00 0.00 N ATOM 1645 CA ALA A 108 -6.009 -5.661 7.560 1.00 0.00 C ATOM 1646 C ALA A 108 -6.032 -6.854 8.498 1.00 0.00 C ATOM 1647 O ALA A 108 -6.916 -7.706 8.425 1.00 0.00 O ATOM 1648 CB ALA A 108 -5.042 -5.894 6.406 1.00 0.00 C ATOM 0 H ALA A 108 -4.690 -4.152 8.162 1.00 0.00 H new ATOM 0 HA ALA A 108 -7.001 -5.525 7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.335 -6.791 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.066 -5.037 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.032 -6.020 6.797 1.00 0.00 H new ATOM 1654 N GLY A 109 -5.052 -6.898 9.387 1.00 0.00 N ATOM 1655 CA GLY A 109 -5.025 -7.925 10.413 1.00 0.00 C ATOM 1656 C GLY A 109 -4.007 -9.006 10.127 1.00 0.00 C ATOM 1657 O GLY A 109 -3.340 -9.500 11.034 1.00 0.00 O ATOM 0 H GLY A 109 -4.273 -6.241 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.801 -7.466 11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.014 -8.375 10.497 1.00 0.00 H new ATOM 1661 N VAL A 110 -3.882 -9.365 8.862 1.00 0.00 N ATOM 1662 CA VAL A 110 -2.947 -10.398 8.450 1.00 0.00 C ATOM 1663 C VAL A 110 -1.571 -9.798 8.173 1.00 0.00 C ATOM 1664 O VAL A 110 -1.453 -8.593 7.939 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.458 -11.145 7.197 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -4.694 -11.967 7.531 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -3.757 -10.166 6.070 1.00 0.00 C ATOM 0 H VAL A 110 -4.419 -8.954 8.098 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.863 -11.114 9.267 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.673 -11.823 6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.039 -12.485 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.448 -12.698 8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.482 -11.308 7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.115 -10.713 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.521 -9.460 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.849 -9.623 5.809 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.508 -10.622 8.230 1.00 0.00 N ATOM 1678 CA PRO A 111 0.857 -10.177 7.936 1.00 0.00 C ATOM 1679 C PRO A 111 1.022 -9.773 6.474 1.00 0.00 C ATOM 1680 O PRO A 111 1.328 -10.601 5.614 1.00 0.00 O ATOM 1681 CB PRO A 111 1.730 -11.400 8.258 1.00 0.00 C ATOM 1682 CG PRO A 111 0.859 -12.305 9.060 1.00 0.00 C ATOM 1683 CD PRO A 111 -0.544 -12.042 8.601 1.00 0.00 C ATOM 0 HA PRO A 111 1.127 -9.294 8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.072 -11.890 7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 111 2.619 -11.112 8.818 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.132 -13.349 8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 111 0.965 -12.105 10.126 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.817 -12.673 7.756 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.270 -12.235 9.391 1.00 0.00 H new ATOM 1691 N CYS A 112 0.751 -8.510 6.197 1.00 0.00 N ATOM 1692 CA CYS A 112 0.907 -7.962 4.864 1.00 0.00 C ATOM 1693 C CYS A 112 1.608 -6.615 4.936 1.00 0.00 C ATOM 1694 O CYS A 112 1.777 -6.054 6.021 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.457 -7.833 4.183 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.281 -9.420 3.930 1.00 0.00 S ATOM 0 H CYS A 112 0.418 -7.838 6.888 1.00 0.00 H new ATOM 0 HA CYS A 112 1.521 -8.638 4.269 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.098 -7.191 4.787 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -0.329 -7.340 3.219 1.00 0.00 H new ATOM 0 HG CYS A 112 -0.525 -10.378 4.379 1.00 0.00 H new ATOM 1702 N ARG A 113 2.025 -6.101 3.792 1.00 0.00 N ATOM 1703 CA ARG A 113 2.725 -4.825 3.744 1.00 0.00 C ATOM 1704 C ARG A 113 2.438 -4.105 2.435 1.00 0.00 C ATOM 1705 O ARG A 113 2.167 -4.741 1.416 1.00 0.00 O ATOM 1706 CB ARG A 113 4.233 -5.035 3.903 1.00 0.00 C ATOM 1707 CG ARG A 113 4.844 -5.912 2.822 1.00 0.00 C ATOM 1708 CD ARG A 113 6.350 -6.029 2.986 1.00 0.00 C ATOM 1709 NE ARG A 113 6.726 -6.813 4.161 1.00 0.00 N ATOM 1710 CZ ARG A 113 7.547 -6.378 5.116 1.00 0.00 C ATOM 1711 NH1 ARG A 113 8.022 -5.136 5.080 1.00 0.00 N ATOM 1712 NH2 ARG A 113 7.892 -7.187 6.112 1.00 0.00 N ATOM 0 H ARG A 113 1.892 -6.546 2.884 1.00 0.00 H new ATOM 0 HA ARG A 113 2.365 -4.210 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.729 -4.064 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.428 -5.484 4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.395 -6.904 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.615 -5.495 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 113 6.775 -6.490 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 113 6.782 -5.031 3.065 1.00 0.00 H new ATOM 0 HE ARG A 113 6.336 -7.751 4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.758 -4.511 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 113 8.650 -4.809 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.528 -8.139 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.520 -6.856 6.844 1.00 0.00 H new ATOM 1726 N ILE A 114 2.486 -2.783 2.475 1.00 0.00 N ATOM 1727 CA ILE A 114 2.288 -1.973 1.284 1.00 0.00 C ATOM 1728 C ILE A 114 3.598 -1.885 0.514 1.00 0.00 C ATOM 1729 O ILE A 114 4.646 -1.631 1.107 1.00 0.00 O ATOM 1730 CB ILE A 114 1.795 -0.556 1.645 1.00 0.00 C ATOM 1731 CG1 ILE A 114 0.562 -0.643 2.554 1.00 0.00 C ATOM 1732 CG2 ILE A 114 1.472 0.235 0.383 1.00 0.00 C ATOM 1733 CD1 ILE A 114 0.058 0.702 3.035 1.00 0.00 C ATOM 0 H ILE A 114 2.661 -2.246 3.324 1.00 0.00 H new ATOM 0 HA ILE A 114 1.524 -2.446 0.667 1.00 0.00 H new ATOM 0 HB ILE A 114 2.589 -0.036 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.239 -1.149 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.804 -1.260 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.126 1.232 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.367 0.318 -0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.692 -0.279 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.815 0.557 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.842 1.203 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.217 1.316 2.177 1.00 0.00 H new ATOM 1745 N LEU A 115 3.539 -2.123 -0.789 1.00 0.00 N ATOM 1746 CA LEU A 115 4.740 -2.187 -1.607 1.00 0.00 C ATOM 1747 C LEU A 115 4.538 -1.477 -2.939 1.00 0.00 C ATOM 1748 O LEU A 115 3.515 -1.665 -3.612 1.00 0.00 O ATOM 1749 CB LEU A 115 5.120 -3.649 -1.864 1.00 0.00 C ATOM 1750 CG LEU A 115 5.366 -4.496 -0.615 1.00 0.00 C ATOM 1751 CD1 LEU A 115 5.519 -5.961 -0.977 1.00 0.00 C ATOM 1752 CD2 LEU A 115 6.596 -4.014 0.118 1.00 0.00 C ATOM 0 H LEU A 115 2.671 -2.275 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 115 5.542 -1.686 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.326 -4.115 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.020 -3.669 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 115 4.501 -4.389 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.693 -6.543 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.610 -6.312 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.364 -6.082 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.756 -4.628 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.463 -4.090 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.458 -2.975 0.417 1.00 0.00 H new ATOM 1764 N LYS A 116 5.504 -0.654 -3.310 1.00 0.00 N ATOM 1765 CA LYS A 116 5.507 -0.015 -4.612 1.00 0.00 C ATOM 1766 C LYS A 116 6.444 -0.765 -5.553 1.00 0.00 C ATOM 1767 O LYS A 116 7.638 -0.900 -5.278 1.00 0.00 O ATOM 1768 CB LYS A 116 5.949 1.445 -4.494 1.00 0.00 C ATOM 1769 CG LYS A 116 5.768 2.247 -5.776 1.00 0.00 C ATOM 1770 CD LYS A 116 6.327 3.654 -5.644 1.00 0.00 C ATOM 1771 CE LYS A 116 6.004 4.499 -6.866 1.00 0.00 C ATOM 1772 NZ LYS A 116 6.623 5.850 -6.787 1.00 0.00 N ATOM 0 H LYS A 116 6.301 -0.412 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 116 4.494 -0.040 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.383 1.923 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.999 1.475 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.265 1.734 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.708 2.299 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.915 4.128 -4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 116 7.408 3.606 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.357 3.990 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 116 4.923 4.600 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.379 6.394 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.267 6.346 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.657 5.755 -6.722 1.00 0.00 H new ATOM 1786 N VAL A 117 5.901 -1.266 -6.654 1.00 0.00 N ATOM 1787 CA VAL A 117 6.706 -1.968 -7.640 1.00 0.00 C ATOM 1788 C VAL A 117 7.724 -1.011 -8.259 1.00 0.00 C ATOM 1789 O VAL A 117 7.383 0.121 -8.616 1.00 0.00 O ATOM 1790 CB VAL A 117 5.830 -2.586 -8.751 1.00 0.00 C ATOM 1791 CG1 VAL A 117 6.668 -3.444 -9.687 1.00 0.00 C ATOM 1792 CG2 VAL A 117 4.697 -3.401 -8.149 1.00 0.00 C ATOM 0 H VAL A 117 4.910 -1.199 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 117 7.226 -2.779 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 117 5.397 -1.772 -9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.029 -3.869 -10.461 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.440 -2.830 -10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 117 7.136 -4.249 -9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.091 -3.828 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.111 -4.204 -7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.075 -2.756 -7.528 1.00 0.00 H new ATOM 1802 N HIS A 118 8.972 -1.467 -8.359 1.00 0.00 N ATOM 1803 CA HIS A 118 10.063 -0.648 -8.884 1.00 0.00 C ATOM 1804 C HIS A 118 9.707 -0.142 -10.281 1.00 0.00 C ATOM 1805 O HIS A 118 9.362 -0.938 -11.149 1.00 0.00 O ATOM 1806 CB HIS A 118 11.360 -1.476 -8.926 1.00 0.00 C ATOM 1807 CG HIS A 118 12.621 -0.660 -8.980 1.00 0.00 C ATOM 1808 ND1 HIS A 118 13.745 -1.046 -9.682 1.00 0.00 N ATOM 1809 CD2 HIS A 118 12.944 0.508 -8.378 1.00 0.00 C ATOM 1810 CE1 HIS A 118 14.699 -0.148 -9.506 1.00 0.00 C ATOM 1811 NE2 HIS A 118 14.238 0.804 -8.720 1.00 0.00 N ATOM 0 H HIS A 118 9.254 -2.407 -8.081 1.00 0.00 H new ATOM 0 HA HIS A 118 10.216 0.211 -8.231 1.00 0.00 H new ATOM 0 HB2 HIS A 118 11.395 -2.117 -8.045 1.00 0.00 H new ATOM 0 HB3 HIS A 118 11.329 -2.131 -9.796 1.00 0.00 H new ATOM 0 HD2 HIS A 118 12.300 1.099 -7.744 1.00 0.00 H new ATOM 0 HE1 HIS A 118 15.690 -0.188 -9.934 1.00 0.00 H new ATOM 0 HE2 HIS A 118 14.759 1.627 -8.416 1.00 0.00 H new ATOM 1820 N PRO A 119 9.785 1.185 -10.509 1.00 0.00 N ATOM 1821 CA PRO A 119 9.386 1.822 -11.779 1.00 0.00 C ATOM 1822 C PRO A 119 9.952 1.122 -13.015 1.00 0.00 C ATOM 1823 O PRO A 119 9.314 1.091 -14.068 1.00 0.00 O ATOM 1824 CB PRO A 119 9.946 3.251 -11.667 1.00 0.00 C ATOM 1825 CG PRO A 119 10.802 3.260 -10.441 1.00 0.00 C ATOM 1826 CD PRO A 119 10.259 2.186 -9.546 1.00 0.00 C ATOM 0 HA PRO A 119 8.305 1.780 -11.914 1.00 0.00 H new ATOM 0 HB2 PRO A 119 10.527 3.513 -12.551 1.00 0.00 H new ATOM 0 HB3 PRO A 119 9.141 3.981 -11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.845 3.067 -10.693 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.767 4.232 -9.949 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.025 1.782 -8.884 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.452 2.554 -8.912 1.00 0.00 H new ATOM 1834 N ASP A 120 11.139 0.559 -12.873 1.00 0.00 N ATOM 1835 CA ASP A 120 11.793 -0.170 -13.951 1.00 0.00 C ATOM 1836 C ASP A 120 10.976 -1.389 -14.375 1.00 0.00 C ATOM 1837 O ASP A 120 10.656 -1.557 -15.551 1.00 0.00 O ATOM 1838 CB ASP A 120 13.183 -0.611 -13.502 1.00 0.00 C ATOM 1839 CG ASP A 120 14.057 0.558 -13.099 1.00 0.00 C ATOM 1840 OD1 ASP A 120 13.805 1.152 -12.029 1.00 0.00 O ATOM 1841 OD2 ASP A 120 15.007 0.873 -13.843 1.00 0.00 O ATOM 0 H ASP A 120 11.679 0.593 -12.008 1.00 0.00 H new ATOM 0 HA ASP A 120 11.876 0.496 -14.810 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.089 -1.298 -12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.666 -1.160 -14.310 1.00 0.00 H new ATOM 1846 N MET A 121 10.633 -2.228 -13.409 1.00 0.00 N ATOM 1847 CA MET A 121 9.882 -3.447 -13.688 1.00 0.00 C ATOM 1848 C MET A 121 8.392 -3.185 -13.613 1.00 0.00 C ATOM 1849 O MET A 121 7.866 -2.762 -12.586 1.00 0.00 O ATOM 1850 CB MET A 121 10.266 -4.559 -12.721 1.00 0.00 C ATOM 1851 CG MET A 121 9.455 -5.833 -12.897 1.00 0.00 C ATOM 1852 SD MET A 121 9.913 -7.119 -11.718 1.00 0.00 S ATOM 1853 CE MET A 121 11.596 -7.466 -12.225 1.00 0.00 C ATOM 0 H MET A 121 10.862 -2.089 -12.425 1.00 0.00 H new ATOM 0 HA MET A 121 10.132 -3.768 -14.699 1.00 0.00 H new ATOM 0 HB2 MET A 121 11.323 -4.792 -12.851 1.00 0.00 H new ATOM 0 HB3 MET A 121 10.142 -4.199 -11.700 1.00 0.00 H new ATOM 0 HG2 MET A 121 8.396 -5.603 -12.784 1.00 0.00 H new ATOM 0 HG3 MET A 121 9.593 -6.209 -13.911 1.00 0.00 H new ATOM 0 HE1 MET A 121 11.905 -8.431 -11.824 1.00 0.00 H new ATOM 0 HE2 MET A 121 11.650 -7.491 -13.313 1.00 0.00 H new ATOM 0 HE3 MET A 121 12.258 -6.687 -11.846 1.00 0.00 H new ATOM 1863 N ALA A 122 7.719 -3.448 -14.706 1.00 0.00 N ATOM 1864 CA ALA A 122 6.297 -3.163 -14.805 1.00 0.00 C ATOM 1865 C ALA A 122 5.485 -4.439 -14.966 1.00 0.00 C ATOM 1866 O ALA A 122 4.379 -4.551 -14.435 1.00 0.00 O ATOM 1867 CB ALA A 122 6.027 -2.220 -15.968 1.00 0.00 C ATOM 0 H ALA A 122 8.128 -3.860 -15.545 1.00 0.00 H new ATOM 0 HA ALA A 122 5.988 -2.683 -13.877 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.958 -2.015 -16.030 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.567 -1.286 -15.812 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.362 -2.682 -16.896 1.00 0.00 H new ATOM 1873 N GLU A 123 6.046 -5.400 -15.683 1.00 0.00 N ATOM 1874 CA GLU A 123 5.339 -6.626 -16.012 1.00 0.00 C ATOM 1875 C GLU A 123 5.408 -7.630 -14.869 1.00 0.00 C ATOM 1876 O GLU A 123 6.433 -8.270 -14.644 1.00 0.00 O ATOM 1877 CB GLU A 123 5.914 -7.229 -17.291 1.00 0.00 C ATOM 1878 CG GLU A 123 5.930 -6.245 -18.447 1.00 0.00 C ATOM 1879 CD GLU A 123 6.673 -6.768 -19.657 1.00 0.00 C ATOM 1880 OE1 GLU A 123 7.923 -6.766 -19.643 1.00 0.00 O ATOM 1881 OE2 GLU A 123 6.013 -7.172 -20.635 1.00 0.00 O ATOM 0 H GLU A 123 6.996 -5.353 -16.050 1.00 0.00 H new ATOM 0 HA GLU A 123 4.289 -6.383 -16.173 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.930 -7.575 -17.100 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.327 -8.103 -17.572 1.00 0.00 H new ATOM 0 HG2 GLU A 123 4.904 -6.009 -18.731 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.392 -5.314 -18.118 1.00 0.00 H new ATOM 1888 N VAL A 124 4.311 -7.737 -14.144 1.00 0.00 N ATOM 1889 CA VAL A 124 4.193 -8.685 -13.045 1.00 0.00 C ATOM 1890 C VAL A 124 2.900 -9.471 -13.196 1.00 0.00 C ATOM 1891 O VAL A 124 2.915 -10.672 -13.459 1.00 0.00 O ATOM 1892 CB VAL A 124 4.200 -7.982 -11.668 1.00 0.00 C ATOM 1893 CG1 VAL A 124 4.133 -9.007 -10.550 1.00 0.00 C ATOM 1894 CG2 VAL A 124 5.427 -7.094 -11.512 1.00 0.00 C ATOM 0 H VAL A 124 3.476 -7.172 -14.297 1.00 0.00 H new ATOM 0 HA VAL A 124 5.056 -9.350 -13.086 1.00 0.00 H new ATOM 0 HB VAL A 124 3.318 -7.345 -11.608 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.139 -8.496 -9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.217 -9.590 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.995 -9.671 -10.613 1.00 0.00 H new ATOM 0 HG21 VAL A 124 5.406 -6.612 -10.534 1.00 0.00 H new ATOM 0 HG22 VAL A 124 6.328 -7.701 -11.598 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.426 -6.332 -12.292 1.00 0.00 H new ATOM 1904 N ARG A 125 1.792 -8.756 -13.046 1.00 0.00 N ATOM 1905 CA ARG A 125 0.448 -9.285 -13.272 1.00 0.00 C ATOM 1906 C ARG A 125 0.022 -10.330 -12.245 1.00 0.00 C ATOM 1907 O ARG A 125 0.668 -11.360 -12.064 1.00 0.00 O ATOM 1908 CB ARG A 125 0.315 -9.879 -14.676 1.00 0.00 C ATOM 1909 CG ARG A 125 0.501 -8.866 -15.791 1.00 0.00 C ATOM 1910 CD ARG A 125 0.162 -9.470 -17.139 1.00 0.00 C ATOM 1911 NE ARG A 125 0.371 -8.522 -18.230 1.00 0.00 N ATOM 1912 CZ ARG A 125 -0.613 -7.862 -18.839 1.00 0.00 C ATOM 1913 NH1 ARG A 125 -1.869 -8.025 -18.446 1.00 0.00 N ATOM 1914 NH2 ARG A 125 -0.346 -7.036 -19.841 1.00 0.00 N ATOM 0 H ARG A 125 1.799 -7.777 -12.760 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.218 -8.429 -13.164 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.050 -10.675 -14.795 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.669 -10.337 -14.775 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.133 -7.999 -15.608 1.00 0.00 H new ATOM 0 HG3 ARG A 125 1.532 -8.512 -15.797 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.776 -10.355 -17.305 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.877 -9.799 -17.138 1.00 0.00 H new ATOM 0 HE ARG A 125 1.327 -8.355 -18.544 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.084 -8.657 -17.675 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.620 -7.518 -18.915 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.617 -6.903 -20.150 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.104 -6.533 -20.303 1.00 0.00 H new ATOM 1928 N TRP A 126 -1.079 -10.036 -11.567 1.00 0.00 N ATOM 1929 CA TRP A 126 -1.800 -11.036 -10.793 1.00 0.00 C ATOM 1930 C TRP A 126 -2.216 -12.174 -11.736 1.00 0.00 C ATOM 1931 O TRP A 126 -2.506 -11.921 -12.910 1.00 0.00 O ATOM 1932 CB TRP A 126 -3.041 -10.385 -10.153 1.00 0.00 C ATOM 1933 CG TRP A 126 -3.501 -11.043 -8.887 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -3.001 -10.825 -7.638 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -4.549 -12.010 -8.737 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -3.658 -11.608 -6.722 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -4.613 -12.345 -7.371 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -5.432 -12.631 -9.623 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -5.526 -13.273 -6.875 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -6.337 -13.549 -9.129 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -6.377 -13.863 -7.767 1.00 0.00 C ATOM 0 H TRP A 126 -1.495 -9.105 -11.538 1.00 0.00 H new ATOM 0 HA TRP A 126 -1.169 -11.436 -10.000 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -2.821 -9.338 -9.945 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -3.858 -10.401 -10.874 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -2.203 -10.136 -7.403 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.466 -11.636 -5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -5.407 -12.397 -10.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.560 -13.517 -5.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -7.026 -14.033 -9.806 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -7.096 -14.587 -7.412 1.00 0.00 H new ATOM 1952 N PRO A 127 -2.237 -13.436 -11.254 1.00 0.00 N ATOM 1953 CA PRO A 127 -2.588 -14.618 -12.066 1.00 0.00 C ATOM 1954 C PRO A 127 -3.833 -14.411 -12.935 1.00 0.00 C ATOM 1955 O PRO A 127 -3.932 -14.964 -14.032 1.00 0.00 O ATOM 1956 CB PRO A 127 -2.841 -15.717 -11.018 1.00 0.00 C ATOM 1957 CG PRO A 127 -2.796 -15.030 -9.691 1.00 0.00 C ATOM 1958 CD PRO A 127 -1.908 -13.834 -9.881 1.00 0.00 C ATOM 0 HA PRO A 127 -1.796 -14.856 -12.777 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -3.807 -16.196 -11.178 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -2.084 -16.499 -11.080 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.794 -14.730 -9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.401 -15.692 -8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -2.126 -13.044 -9.162 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.853 -14.085 -9.769 1.00 0.00 H new ATOM 1966 N SER A 128 -4.771 -13.608 -12.433 1.00 0.00 N ATOM 1967 CA SER A 128 -5.996 -13.263 -13.157 1.00 0.00 C ATOM 1968 C SER A 128 -6.846 -14.502 -13.445 1.00 0.00 C ATOM 1969 O SER A 128 -7.620 -14.523 -14.403 1.00 0.00 O ATOM 1970 CB SER A 128 -5.649 -12.540 -14.464 1.00 0.00 C ATOM 1971 OG SER A 128 -4.819 -11.414 -14.219 1.00 0.00 O ATOM 0 H SER A 128 -4.703 -13.177 -11.511 1.00 0.00 H new ATOM 0 HA SER A 128 -6.584 -12.598 -12.524 1.00 0.00 H new ATOM 0 HB2 SER A 128 -5.143 -13.228 -15.141 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.565 -12.220 -14.961 1.00 0.00 H new ATOM 0 HG SER A 128 -3.971 -11.712 -13.828 1.00 0.00 H new ATOM 1977 N LEU A 129 -6.710 -15.510 -12.583 1.00 0.00 N ATOM 1978 CA LEU A 129 -7.438 -16.773 -12.710 1.00 0.00 C ATOM 1979 C LEU A 129 -7.057 -17.501 -13.996 1.00 0.00 C ATOM 1980 O LEU A 129 -7.636 -17.271 -15.059 1.00 0.00 O ATOM 1981 CB LEU A 129 -8.954 -16.549 -12.641 1.00 0.00 C ATOM 1982 CG LEU A 129 -9.452 -15.864 -11.364 1.00 0.00 C ATOM 1983 CD1 LEU A 129 -10.965 -15.717 -11.393 1.00 0.00 C ATOM 1984 CD2 LEU A 129 -9.015 -16.641 -10.130 1.00 0.00 C ATOM 0 H LEU A 129 -6.090 -15.473 -11.774 1.00 0.00 H new ATOM 0 HA LEU A 129 -7.152 -17.403 -11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -9.256 -15.948 -13.499 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -9.453 -17.513 -12.736 1.00 0.00 H new ATOM 0 HG LEU A 129 -9.009 -14.869 -11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -11.301 -15.229 -10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.256 -15.115 -12.254 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -11.425 -16.702 -11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -9.379 -16.137 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -9.426 -17.650 -10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -7.927 -16.693 -10.099 1.00 0.00 H new ATOM 1996 N GLU A 130 -6.061 -18.364 -13.881 1.00 0.00 N ATOM 1997 CA GLU A 130 -5.553 -19.128 -15.010 1.00 0.00 C ATOM 1998 C GLU A 130 -6.569 -20.188 -15.426 1.00 0.00 C ATOM 1999 O GLU A 130 -7.309 -19.959 -16.404 1.00 0.00 O ATOM 2000 CB GLU A 130 -4.221 -19.803 -14.647 1.00 0.00 C ATOM 2001 CG GLU A 130 -3.311 -18.953 -13.768 1.00 0.00 C ATOM 2002 CD GLU A 130 -3.521 -19.201 -12.282 1.00 0.00 C ATOM 2003 OE1 GLU A 130 -4.603 -18.855 -11.755 1.00 0.00 O ATOM 2004 OE2 GLU A 130 -2.608 -19.756 -11.639 1.00 0.00 O ATOM 0 H GLU A 130 -5.581 -18.555 -13.002 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.386 -18.444 -15.842 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.430 -20.742 -14.134 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.691 -20.053 -15.566 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.272 -19.161 -14.022 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.487 -17.899 -13.984 1.00 0.00 H new TER 2011 GLU A 130