USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 849 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 15 SER OG : rot -103:sc= 0.736 USER MOD Set 1.2: A 96 TYR OH : rot 15:sc= -0.0768 USER MOD Set 2.1: A 84 MET CE :methyl -122:sc= -1.92 (180deg=-6.64!) USER MOD Set 2.2: A 86 CYS SG : rot 95:sc= -2.35! USER MOD Set 3.1: A 50 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Set 3.2: A 69 MET CE :methyl -146:sc= 0 (180deg=0) USER MOD Set 4.1: A 68 TYR OH : rot 0:sc= -0.831 USER MOD Set 4.2: A 72 GLN : amide:sc= -0.185 X(o=-1,f=-1) USER MOD Set 5.1: A 35 THR OG1 : rot 84:sc= 0.673 USER MOD Set 5.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0749 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= 0.0988 F(o=-1.8!,f=0.099) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -2.26 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.95 K(o=-1.9,f=-5.5!) USER MOD Single : A 33 SER OG : rot -80:sc= -0.616 USER MOD Single : A 37 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.568 K(o=-0.57,f=-4!) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc=-0.00661 (180deg=-0.206) USER MOD Single : A 61 ASN : amide:sc= -4.05! C(o=-4.1!,f=-18!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.014) USER MOD Single : A 67 CYS SG : rot 103:sc= 0.297 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 140:sc= 0.0653 (180deg=-0.433) USER MOD Single : A 74 GLN : amide:sc= -1.95 K(o=-1.9,f=-8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00429 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -161:sc= 1.28 USER MOD Single : A 94 ASN : amide:sc= -1.97 K(o=-2,f=-11!) USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 99 SER OG : rot 156:sc= 0.36 USER MOD Single : A 102 SER OG : rot 110:sc= 0.733 USER MOD Single : A 107 TYR OH : rot 150:sc= -0.844 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -164:sc= -0.251 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc=-0.00702 USER MOD Single : A 116 SER OG : rot 180:sc= -0.193 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.769 34.869 14.932 1.00 0.00 N ATOM 2 CA GLY A 1 -26.576 34.607 13.517 1.00 0.00 C ATOM 3 C GLY A 1 -25.657 35.617 12.860 1.00 0.00 C ATOM 4 O GLY A 1 -25.349 36.657 13.443 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.473 34.038 15.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.199 35.692 15.214 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.774 35.065 15.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.162 33.607 13.389 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.543 34.619 13.013 1.00 0.00 H new ATOM 8 N SER A 2 -25.217 35.312 11.644 1.00 0.00 N ATOM 9 CA SER A 2 -24.323 36.199 10.909 1.00 0.00 C ATOM 10 C SER A 2 -24.405 35.931 9.409 1.00 0.00 C ATOM 11 O SER A 2 -24.994 34.941 8.975 1.00 0.00 O ATOM 12 CB SER A 2 -22.883 36.021 11.392 1.00 0.00 C ATOM 13 OG SER A 2 -22.096 37.157 11.080 1.00 0.00 O ATOM 0 H SER A 2 -25.465 34.457 11.146 1.00 0.00 H new ATOM 0 HA SER A 2 -24.637 37.226 11.095 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.875 35.854 12.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.448 35.135 10.929 1.00 0.00 H new ATOM 0 HG SER A 2 -21.180 37.019 11.401 1.00 0.00 H new ATOM 19 N SER A 3 -23.810 36.822 8.622 1.00 0.00 N ATOM 20 CA SER A 3 -23.818 36.686 7.170 1.00 0.00 C ATOM 21 C SER A 3 -22.787 35.657 6.716 1.00 0.00 C ATOM 22 O SER A 3 -22.000 35.154 7.517 1.00 0.00 O ATOM 23 CB SER A 3 -23.533 38.035 6.509 1.00 0.00 C ATOM 24 OG SER A 3 -23.866 38.008 5.131 1.00 0.00 O ATOM 0 H SER A 3 -23.316 37.646 8.966 1.00 0.00 H new ATOM 0 HA SER A 3 -24.807 36.343 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.105 38.817 7.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.479 38.286 6.627 1.00 0.00 H new ATOM 0 HG SER A 3 -23.676 38.883 4.731 1.00 0.00 H new ATOM 30 N GLY A 4 -22.799 35.348 5.422 1.00 0.00 N ATOM 31 CA GLY A 4 -21.861 34.381 4.882 1.00 0.00 C ATOM 32 C GLY A 4 -20.427 34.688 5.263 1.00 0.00 C ATOM 33 O GLY A 4 -20.076 35.842 5.509 1.00 0.00 O ATOM 0 H GLY A 4 -23.441 35.750 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.124 33.386 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.949 34.362 3.796 1.00 0.00 H new ATOM 37 N SER A 5 -19.595 33.653 5.313 1.00 0.00 N ATOM 38 CA SER A 5 -18.191 33.817 5.672 1.00 0.00 C ATOM 39 C SER A 5 -17.303 33.760 4.433 1.00 0.00 C ATOM 40 O SER A 5 -17.348 32.798 3.667 1.00 0.00 O ATOM 41 CB SER A 5 -17.767 32.736 6.667 1.00 0.00 C ATOM 42 OG SER A 5 -18.386 32.931 7.927 1.00 0.00 O ATOM 0 H SER A 5 -19.869 32.692 5.109 1.00 0.00 H new ATOM 0 HA SER A 5 -18.073 34.795 6.138 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.032 31.754 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.683 32.750 6.785 1.00 0.00 H new ATOM 0 HG SER A 5 -18.100 32.226 8.545 1.00 0.00 H new ATOM 48 N SER A 6 -16.496 34.799 4.243 1.00 0.00 N ATOM 49 CA SER A 6 -15.599 34.871 3.095 1.00 0.00 C ATOM 50 C SER A 6 -14.332 34.059 3.344 1.00 0.00 C ATOM 51 O SER A 6 -13.706 34.172 4.397 1.00 0.00 O ATOM 52 CB SER A 6 -15.235 36.326 2.795 1.00 0.00 C ATOM 53 OG SER A 6 -14.961 36.509 1.417 1.00 0.00 O ATOM 0 H SER A 6 -16.445 35.603 4.869 1.00 0.00 H new ATOM 0 HA SER A 6 -16.117 34.449 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.054 36.979 3.096 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.364 36.615 3.384 1.00 0.00 H new ATOM 0 HG SER A 6 -14.733 37.447 1.251 1.00 0.00 H new ATOM 59 N GLY A 7 -13.960 33.239 2.366 1.00 0.00 N ATOM 60 CA GLY A 7 -12.769 32.419 2.497 1.00 0.00 C ATOM 61 C GLY A 7 -11.494 33.237 2.449 1.00 0.00 C ATOM 62 O GLY A 7 -11.474 34.335 1.894 1.00 0.00 O ATOM 0 H GLY A 7 -14.462 33.128 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.810 31.871 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.752 31.678 1.698 1.00 0.00 H new ATOM 66 N ALA A 8 -10.428 32.702 3.034 1.00 0.00 N ATOM 67 CA ALA A 8 -9.142 33.390 3.056 1.00 0.00 C ATOM 68 C ALA A 8 -8.231 32.885 1.942 1.00 0.00 C ATOM 69 O ALA A 8 -7.836 33.645 1.059 1.00 0.00 O ATOM 70 CB ALA A 8 -8.472 33.213 4.410 1.00 0.00 C ATOM 0 H ALA A 8 -10.429 31.794 3.499 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.322 34.452 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.513 33.732 4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.111 33.628 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.311 32.152 4.600 1.00 0.00 H new ATOM 76 N GLU A 9 -7.902 31.598 1.991 1.00 0.00 N ATOM 77 CA GLU A 9 -7.035 30.993 0.986 1.00 0.00 C ATOM 78 C GLU A 9 -5.831 31.886 0.697 1.00 0.00 C ATOM 79 O GLU A 9 -5.469 32.102 -0.460 1.00 0.00 O ATOM 80 CB GLU A 9 -7.816 30.738 -0.305 1.00 0.00 C ATOM 81 CG GLU A 9 -8.520 29.392 -0.334 1.00 0.00 C ATOM 82 CD GLU A 9 -7.574 28.232 -0.093 1.00 0.00 C ATOM 83 OE1 GLU A 9 -6.471 28.236 -0.679 1.00 0.00 O ATOM 84 OE2 GLU A 9 -7.935 27.322 0.681 1.00 0.00 O ATOM 0 H GLU A 9 -8.222 30.955 2.715 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.674 30.042 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.555 31.528 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.132 30.799 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.304 29.380 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.008 29.263 -1.300 1.00 0.00 H new ATOM 91 N ILE A 10 -5.217 32.401 1.757 1.00 0.00 N ATOM 92 CA ILE A 10 -4.055 33.269 1.618 1.00 0.00 C ATOM 93 C ILE A 10 -2.776 32.454 1.459 1.00 0.00 C ATOM 94 O ILE A 10 -2.679 31.329 1.950 1.00 0.00 O ATOM 95 CB ILE A 10 -3.905 34.208 2.829 1.00 0.00 C ATOM 96 CG1 ILE A 10 -3.938 33.405 4.131 1.00 0.00 C ATOM 97 CG2 ILE A 10 -5.003 35.261 2.822 1.00 0.00 C ATOM 98 CD1 ILE A 10 -3.196 34.069 5.270 1.00 0.00 C ATOM 0 H ILE A 10 -5.505 32.232 2.721 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.215 33.869 0.722 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.942 34.715 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.976 33.249 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.506 32.420 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.883 35.917 3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.937 35.849 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.976 34.772 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.262 33.444 6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.149 34.200 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.642 35.042 5.476 1.00 0.00 H new ATOM 110 N PHE A 11 -1.795 33.030 0.772 1.00 0.00 N ATOM 111 CA PHE A 11 -0.520 32.358 0.550 1.00 0.00 C ATOM 112 C PHE A 11 -0.737 30.938 0.035 1.00 0.00 C ATOM 113 O PHE A 11 -0.073 29.998 0.473 1.00 0.00 O ATOM 114 CB PHE A 11 0.296 32.325 1.844 1.00 0.00 C ATOM 115 CG PHE A 11 1.749 32.013 1.628 1.00 0.00 C ATOM 116 CD1 PHE A 11 2.526 32.805 0.797 1.00 0.00 C ATOM 117 CD2 PHE A 11 2.340 30.928 2.256 1.00 0.00 C ATOM 118 CE1 PHE A 11 3.863 32.520 0.596 1.00 0.00 C ATOM 119 CE2 PHE A 11 3.677 30.638 2.059 1.00 0.00 C ATOM 120 CZ PHE A 11 4.439 31.436 1.229 1.00 0.00 C ATOM 0 H PHE A 11 -1.859 33.961 0.359 1.00 0.00 H new ATOM 0 HA PHE A 11 0.032 32.919 -0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.210 33.290 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.132 31.580 2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.081 33.655 0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.749 30.301 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.457 33.144 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.125 29.789 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.484 31.213 1.075 1.00 0.00 H new ATOM 130 N THR A 12 -1.672 30.789 -0.897 1.00 0.00 N ATOM 131 CA THR A 12 -1.979 29.485 -1.471 1.00 0.00 C ATOM 132 C THR A 12 -0.712 28.777 -1.937 1.00 0.00 C ATOM 133 O THR A 12 0.056 29.317 -2.734 1.00 0.00 O ATOM 134 CB THR A 12 -2.951 29.608 -2.659 1.00 0.00 C ATOM 135 OG1 THR A 12 -3.272 28.308 -3.167 1.00 0.00 O ATOM 136 CG2 THR A 12 -2.346 30.456 -3.768 1.00 0.00 C ATOM 0 H THR A 12 -2.231 31.556 -1.271 1.00 0.00 H new ATOM 0 HA THR A 12 -2.452 28.897 -0.684 1.00 0.00 H new ATOM 0 HB THR A 12 -3.861 30.094 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.892 28.395 -3.921 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.051 30.529 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.130 31.454 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.423 29.994 -4.117 1.00 0.00 H new ATOM 144 N THR A 13 -0.498 27.564 -1.436 1.00 0.00 N ATOM 145 CA THR A 13 0.677 26.783 -1.801 1.00 0.00 C ATOM 146 C THR A 13 0.306 25.331 -2.082 1.00 0.00 C ATOM 147 O THR A 13 -0.611 24.784 -1.467 1.00 0.00 O ATOM 148 CB THR A 13 1.745 26.823 -0.692 1.00 0.00 C ATOM 149 OG1 THR A 13 1.157 26.474 0.567 1.00 0.00 O ATOM 150 CG2 THR A 13 2.375 28.204 -0.598 1.00 0.00 C ATOM 0 H THR A 13 -1.123 27.102 -0.776 1.00 0.00 H new ATOM 0 HA THR A 13 1.087 27.232 -2.706 1.00 0.00 H new ATOM 0 HB THR A 13 2.524 26.102 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.843 26.500 1.267 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.126 28.208 0.192 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.846 28.454 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.605 28.941 -0.370 1.00 0.00 H new ATOM 158 N LEU A 14 1.023 24.712 -3.013 1.00 0.00 N ATOM 159 CA LEU A 14 0.769 23.321 -3.374 1.00 0.00 C ATOM 160 C LEU A 14 1.896 22.417 -2.885 1.00 0.00 C ATOM 161 O LEU A 14 2.409 21.586 -3.634 1.00 0.00 O ATOM 162 CB LEU A 14 0.616 23.188 -4.890 1.00 0.00 C ATOM 163 CG LEU A 14 -0.801 23.364 -5.439 1.00 0.00 C ATOM 164 CD1 LEU A 14 -1.759 22.394 -4.765 1.00 0.00 C ATOM 165 CD2 LEU A 14 -1.271 24.799 -5.251 1.00 0.00 C ATOM 0 H LEU A 14 1.784 25.150 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.157 23.009 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.263 23.924 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.980 22.204 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.787 23.145 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.762 22.534 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.432 21.371 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.770 22.581 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.281 24.906 -5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.270 25.046 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.600 25.474 -5.782 1.00 0.00 H new ATOM 177 N SER A 15 2.275 22.584 -1.622 1.00 0.00 N ATOM 178 CA SER A 15 3.342 21.784 -1.032 1.00 0.00 C ATOM 179 C SER A 15 2.828 20.991 0.165 1.00 0.00 C ATOM 180 O SER A 15 2.627 21.541 1.249 1.00 0.00 O ATOM 181 CB SER A 15 4.504 22.682 -0.603 1.00 0.00 C ATOM 182 OG SER A 15 5.197 23.192 -1.728 1.00 0.00 O ATOM 0 H SER A 15 1.859 23.266 -0.988 1.00 0.00 H new ATOM 0 HA SER A 15 3.695 21.081 -1.786 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.126 23.508 0.000 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.192 22.117 0.026 1.00 0.00 H new ATOM 0 HG SER A 15 6.037 22.701 -1.845 1.00 0.00 H new ATOM 188 N CYS A 16 2.618 19.695 -0.038 1.00 0.00 N ATOM 189 CA CYS A 16 2.126 18.824 1.024 1.00 0.00 C ATOM 190 C CYS A 16 2.394 17.359 0.694 1.00 0.00 C ATOM 191 O CYS A 16 2.878 17.037 -0.390 1.00 0.00 O ATOM 192 CB CYS A 16 0.628 19.045 1.241 1.00 0.00 C ATOM 193 SG CYS A 16 -0.388 18.689 -0.211 1.00 0.00 S ATOM 0 H CYS A 16 2.781 19.224 -0.928 1.00 0.00 H new ATOM 0 HA CYS A 16 2.659 19.074 1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.295 18.417 2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.464 20.080 1.541 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.639 18.903 0.071 1.00 0.00 H new ATOM 199 N GLU A 17 2.077 16.478 1.638 1.00 0.00 N ATOM 200 CA GLU A 17 2.286 15.048 1.447 1.00 0.00 C ATOM 201 C GLU A 17 1.444 14.525 0.287 1.00 0.00 C ATOM 202 O GLU A 17 0.384 15.062 -0.036 1.00 0.00 O ATOM 203 CB GLU A 17 1.940 14.284 2.727 1.00 0.00 C ATOM 204 CG GLU A 17 0.454 14.008 2.888 1.00 0.00 C ATOM 205 CD GLU A 17 0.115 13.414 4.242 1.00 0.00 C ATOM 206 OE1 GLU A 17 0.693 13.869 5.251 1.00 0.00 O ATOM 207 OE2 GLU A 17 -0.729 12.495 4.291 1.00 0.00 O ATOM 0 H GLU A 17 1.675 16.729 2.541 1.00 0.00 H new ATOM 0 HA GLU A 17 3.338 14.889 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.480 13.337 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.290 14.855 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.101 14.936 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.128 13.325 2.104 1.00 0.00 H new ATOM 214 N PRO A 18 1.926 13.451 -0.357 1.00 0.00 N ATOM 215 CA PRO A 18 1.235 12.832 -1.491 1.00 0.00 C ATOM 216 C PRO A 18 -0.049 12.125 -1.072 1.00 0.00 C ATOM 217 O PRO A 18 -0.397 12.099 0.109 1.00 0.00 O ATOM 218 CB PRO A 18 2.255 11.819 -2.019 1.00 0.00 C ATOM 219 CG PRO A 18 3.113 11.499 -0.843 1.00 0.00 C ATOM 220 CD PRO A 18 3.184 12.760 -0.026 1.00 0.00 C ATOM 0 HA PRO A 18 0.925 13.570 -2.231 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.763 10.926 -2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.843 12.238 -2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.688 10.681 -0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.107 11.183 -1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.256 12.545 1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.054 13.361 -0.289 1.00 0.00 H new ATOM 228 N ASP A 19 -0.749 11.552 -2.045 1.00 0.00 N ATOM 229 CA ASP A 19 -1.994 10.843 -1.776 1.00 0.00 C ATOM 230 C ASP A 19 -1.717 9.456 -1.205 1.00 0.00 C ATOM 231 O ASP A 19 -0.577 8.990 -1.205 1.00 0.00 O ATOM 232 CB ASP A 19 -2.826 10.726 -3.054 1.00 0.00 C ATOM 233 CG ASP A 19 -3.924 9.688 -2.937 1.00 0.00 C ATOM 234 OD1 ASP A 19 -5.010 10.029 -2.425 1.00 0.00 O ATOM 235 OD2 ASP A 19 -3.698 8.533 -3.358 1.00 0.00 O ATOM 0 H ASP A 19 -0.475 11.565 -3.027 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.556 11.414 -1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.269 11.695 -3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.172 10.467 -3.887 1.00 0.00 H new ATOM 240 N ILE A 20 -2.767 8.801 -0.720 1.00 0.00 N ATOM 241 CA ILE A 20 -2.636 7.467 -0.147 1.00 0.00 C ATOM 242 C ILE A 20 -2.782 6.391 -1.218 1.00 0.00 C ATOM 243 O ILE A 20 -3.833 6.241 -1.843 1.00 0.00 O ATOM 244 CB ILE A 20 -3.683 7.223 0.956 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.528 8.256 2.074 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.551 5.812 1.509 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.753 8.383 2.953 1.00 0.00 C ATOM 0 H ILE A 20 -3.717 9.172 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.639 7.408 0.290 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.677 7.331 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.673 7.984 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.305 9.227 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.298 5.655 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.706 5.091 0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.554 5.678 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.572 9.133 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.607 8.685 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.964 7.423 3.424 1.00 0.00 H new ATOM 259 N PRO A 21 -1.705 5.623 -1.436 1.00 0.00 N ATOM 260 CA PRO A 21 -1.689 4.546 -2.430 1.00 0.00 C ATOM 261 C PRO A 21 -2.568 3.368 -2.023 1.00 0.00 C ATOM 262 O PRO A 21 -2.799 3.134 -0.838 1.00 0.00 O ATOM 263 CB PRO A 21 -0.218 4.125 -2.474 1.00 0.00 C ATOM 264 CG PRO A 21 0.324 4.505 -1.139 1.00 0.00 C ATOM 265 CD PRO A 21 -0.420 5.746 -0.728 1.00 0.00 C ATOM 0 HA PRO A 21 -2.082 4.874 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.118 3.054 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.316 4.633 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.176 3.704 -0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.396 4.693 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.559 5.792 0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.115 6.650 -1.019 1.00 0.00 H new ATOM 273 N ASN A 22 -3.056 2.629 -3.014 1.00 0.00 N ATOM 274 CA ASN A 22 -3.910 1.475 -2.759 1.00 0.00 C ATOM 275 C ASN A 22 -3.166 0.416 -1.951 1.00 0.00 C ATOM 276 O ASN A 22 -1.936 0.374 -1.920 1.00 0.00 O ATOM 277 CB ASN A 22 -4.401 0.875 -4.078 1.00 0.00 C ATOM 278 CG ASN A 22 -3.406 1.069 -5.206 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.422 2.250 -5.813 1.00 0.00 O flip ATOM 280 ND2 ASN A 22 -2.632 0.167 -5.528 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.874 2.809 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.769 1.812 -2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.589 -0.190 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.351 1.334 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.655 -0.725 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.968 0.312 -6.289 1.00 0.00 H new ATOM 287 N PRO A 23 -3.929 -0.461 -1.281 1.00 0.00 N ATOM 288 CA PRO A 23 -3.364 -1.537 -0.461 1.00 0.00 C ATOM 289 C PRO A 23 -2.692 -2.616 -1.304 1.00 0.00 C ATOM 290 O PRO A 23 -3.139 -2.947 -2.402 1.00 0.00 O ATOM 291 CB PRO A 23 -4.585 -2.108 0.264 1.00 0.00 C ATOM 292 CG PRO A 23 -5.738 -1.782 -0.620 1.00 0.00 C ATOM 293 CD PRO A 23 -5.402 -0.470 -1.273 1.00 0.00 C ATOM 0 HA PRO A 23 -2.585 -1.173 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.491 -3.184 0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.704 -1.661 1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.890 -2.562 -1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.661 -1.707 -0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.810 -0.407 -2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.806 0.373 -0.713 1.00 0.00 H new ATOM 301 N PRO A 24 -1.593 -3.178 -0.780 1.00 0.00 N ATOM 302 CA PRO A 24 -0.837 -4.229 -1.468 1.00 0.00 C ATOM 303 C PRO A 24 -1.601 -5.547 -1.529 1.00 0.00 C ATOM 304 O PRO A 24 -2.311 -5.909 -0.590 1.00 0.00 O ATOM 305 CB PRO A 24 0.421 -4.380 -0.609 1.00 0.00 C ATOM 306 CG PRO A 24 0.013 -3.917 0.747 1.00 0.00 C ATOM 307 CD PRO A 24 -1.004 -2.832 0.525 1.00 0.00 C ATOM 0 HA PRO A 24 -0.632 -3.971 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.764 -5.415 -0.587 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.242 -3.780 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.411 -4.736 1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.870 -3.540 1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.756 -2.818 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.542 -1.845 0.508 1.00 0.00 H new ATOM 315 N ARG A 25 -1.451 -6.261 -2.640 1.00 0.00 N ATOM 316 CA ARG A 25 -2.128 -7.539 -2.824 1.00 0.00 C ATOM 317 C ARG A 25 -1.142 -8.698 -2.712 1.00 0.00 C ATOM 318 O ARG A 25 0.068 -8.489 -2.624 1.00 0.00 O ATOM 319 CB ARG A 25 -2.826 -7.580 -4.185 1.00 0.00 C ATOM 320 CG ARG A 25 -1.949 -7.109 -5.333 1.00 0.00 C ATOM 321 CD ARG A 25 -2.574 -7.435 -6.681 1.00 0.00 C ATOM 322 NE ARG A 25 -1.572 -7.536 -7.739 1.00 0.00 N ATOM 323 CZ ARG A 25 -1.851 -7.909 -8.982 1.00 0.00 C ATOM 324 NH1 ARG A 25 -3.096 -8.214 -9.323 1.00 0.00 N ATOM 325 NH2 ARG A 25 -0.885 -7.977 -9.889 1.00 0.00 N ATOM 0 H ARG A 25 -0.867 -5.976 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.875 -7.642 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.155 -8.600 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.721 -6.959 -4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.791 -6.033 -5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.969 -7.581 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.121 -8.375 -6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.299 -6.663 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.605 -7.307 -7.510 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.842 -8.162 -8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.307 -8.500 -10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.074 -7.742 -9.632 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.101 -8.264 -10.844 1.00 0.00 H new ATOM 339 N ILE A 26 -1.668 -9.918 -2.714 1.00 0.00 N ATOM 340 CA ILE A 26 -0.834 -11.109 -2.613 1.00 0.00 C ATOM 341 C ILE A 26 -0.611 -11.742 -3.982 1.00 0.00 C ATOM 342 O ILE A 26 -1.561 -12.002 -4.719 1.00 0.00 O ATOM 343 CB ILE A 26 -1.459 -12.156 -1.672 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.135 -11.822 -0.214 1.00 0.00 C ATOM 345 CG2 ILE A 26 -0.961 -13.550 -2.025 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.304 -12.095 0.163 1.00 0.00 C ATOM 0 H ILE A 26 -2.668 -10.108 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 26 0.124 -10.789 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.542 -12.135 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.356 -10.770 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.789 -12.402 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.412 -14.279 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.238 -13.786 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.124 -13.585 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.461 -11.835 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.525 -13.152 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.964 -11.495 -0.463 1.00 0.00 H new ATOM 358 N ALA A 27 0.652 -11.989 -4.315 1.00 0.00 N ATOM 359 CA ALA A 27 1.001 -12.595 -5.594 1.00 0.00 C ATOM 360 C ALA A 27 1.617 -13.976 -5.397 1.00 0.00 C ATOM 361 O ALA A 27 1.703 -14.766 -6.336 1.00 0.00 O ATOM 362 CB ALA A 27 1.955 -11.693 -6.362 1.00 0.00 C ATOM 0 H ALA A 27 1.451 -11.779 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 27 0.086 -12.714 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.207 -12.158 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.478 -10.730 -6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.864 -11.544 -5.779 1.00 0.00 H new ATOM 368 N ASN A 28 2.045 -14.259 -4.171 1.00 0.00 N ATOM 369 CA ASN A 28 2.655 -15.544 -3.852 1.00 0.00 C ATOM 370 C ASN A 28 2.955 -15.649 -2.360 1.00 0.00 C ATOM 371 O ASN A 28 3.789 -14.914 -1.831 1.00 0.00 O ATOM 372 CB ASN A 28 3.942 -15.736 -4.657 1.00 0.00 C ATOM 373 CG ASN A 28 4.391 -17.184 -4.694 1.00 0.00 C ATOM 374 OD1 ASN A 28 5.253 -17.598 -3.919 1.00 0.00 O ATOM 375 ND2 ASN A 28 3.806 -17.961 -5.599 1.00 0.00 N ATOM 0 H ASN A 28 1.980 -13.615 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 28 1.947 -16.329 -4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.786 -15.381 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.733 -15.124 -4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.067 -18.944 -5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.096 -17.574 -6.221 1.00 0.00 H new ATOM 382 N ARG A 29 2.270 -16.568 -1.687 1.00 0.00 N ATOM 383 CA ARG A 29 2.462 -16.768 -0.256 1.00 0.00 C ATOM 384 C ARG A 29 2.641 -18.249 0.066 1.00 0.00 C ATOM 385 O ARG A 29 1.912 -19.100 -0.445 1.00 0.00 O ATOM 386 CB ARG A 29 1.273 -16.206 0.524 1.00 0.00 C ATOM 387 CG ARG A 29 -0.054 -16.852 0.161 1.00 0.00 C ATOM 388 CD ARG A 29 -1.042 -16.781 1.314 1.00 0.00 C ATOM 389 NE ARG A 29 -2.222 -17.609 1.076 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.150 -17.322 0.169 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.034 -16.235 -0.581 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.195 -18.124 0.011 1.00 0.00 N ATOM 0 H ARG A 29 1.577 -17.186 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 29 3.366 -16.237 0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.453 -16.340 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.206 -15.133 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.476 -16.354 -0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.111 -17.894 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.551 -17.104 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.350 -15.746 1.464 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.340 -18.453 1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.231 -15.617 -0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.747 -16.017 -1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.287 -18.962 0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.907 -17.903 -0.685 1.00 0.00 H new ATOM 406 N THR A 30 3.617 -18.551 0.917 1.00 0.00 N ATOM 407 CA THR A 30 3.893 -19.928 1.307 1.00 0.00 C ATOM 408 C THR A 30 3.706 -20.123 2.807 1.00 0.00 C ATOM 409 O THR A 30 3.381 -19.182 3.530 1.00 0.00 O ATOM 410 CB THR A 30 5.325 -20.344 0.921 1.00 0.00 C ATOM 411 OG1 THR A 30 6.274 -19.661 1.748 1.00 0.00 O ATOM 412 CG2 THR A 30 5.604 -20.033 -0.542 1.00 0.00 C ATOM 0 H THR A 30 4.230 -17.860 1.349 1.00 0.00 H new ATOM 0 HA THR A 30 3.182 -20.557 0.771 1.00 0.00 H new ATOM 0 HB THR A 30 5.420 -21.419 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.182 -19.932 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.621 -20.336 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.899 -20.578 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.492 -18.963 -0.714 1.00 0.00 H new ATOM 420 N LYS A 31 3.913 -21.352 3.269 1.00 0.00 N ATOM 421 CA LYS A 31 3.769 -21.671 4.684 1.00 0.00 C ATOM 422 C LYS A 31 4.653 -20.769 5.539 1.00 0.00 C ATOM 423 O LYS A 31 4.229 -20.277 6.583 1.00 0.00 O ATOM 424 CB LYS A 31 4.125 -23.138 4.935 1.00 0.00 C ATOM 425 CG LYS A 31 3.337 -24.112 4.077 1.00 0.00 C ATOM 426 CD LYS A 31 3.620 -25.553 4.465 1.00 0.00 C ATOM 427 CE LYS A 31 2.566 -26.498 3.907 1.00 0.00 C ATOM 428 NZ LYS A 31 2.748 -27.889 4.406 1.00 0.00 N ATOM 0 H LYS A 31 4.181 -22.143 2.684 1.00 0.00 H new ATOM 0 HA LYS A 31 2.729 -21.502 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.189 -23.282 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.952 -23.370 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.271 -23.909 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.590 -23.961 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.603 -25.844 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.649 -25.639 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.574 -26.140 4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.614 -26.494 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.011 -28.502 4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.684 -28.240 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.676 -27.898 5.444 1.00 0.00 H new ATOM 442 N ASN A 32 5.884 -20.554 5.086 1.00 0.00 N ATOM 443 CA ASN A 32 6.828 -19.709 5.809 1.00 0.00 C ATOM 444 C ASN A 32 7.317 -18.563 4.929 1.00 0.00 C ATOM 445 O ASN A 32 8.519 -18.317 4.824 1.00 0.00 O ATOM 446 CB ASN A 32 8.018 -20.539 6.295 1.00 0.00 C ATOM 447 CG ASN A 32 7.588 -21.778 7.055 1.00 0.00 C ATOM 448 OD1 ASN A 32 6.783 -22.571 6.567 1.00 0.00 O ATOM 449 ND2 ASN A 32 8.124 -21.950 8.258 1.00 0.00 N ATOM 0 H ASN A 32 6.251 -20.953 4.222 1.00 0.00 H new ATOM 0 HA ASN A 32 6.313 -19.286 6.671 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.625 -20.834 5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.649 -19.924 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.872 -22.765 8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.788 -21.267 8.623 1.00 0.00 H new ATOM 456 N SER A 33 6.378 -17.865 4.299 1.00 0.00 N ATOM 457 CA SER A 33 6.713 -16.747 3.425 1.00 0.00 C ATOM 458 C SER A 33 5.457 -15.986 3.011 1.00 0.00 C ATOM 459 O SER A 33 4.338 -16.468 3.189 1.00 0.00 O ATOM 460 CB SER A 33 7.453 -17.247 2.183 1.00 0.00 C ATOM 461 OG SER A 33 8.328 -16.254 1.676 1.00 0.00 O ATOM 0 H SER A 33 5.379 -18.054 4.377 1.00 0.00 H new ATOM 0 HA SER A 33 7.363 -16.068 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.021 -18.144 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.732 -17.528 1.415 1.00 0.00 H new ATOM 0 HG SER A 33 7.817 -15.606 1.148 1.00 0.00 H new ATOM 467 N LEU A 34 5.652 -14.794 2.457 1.00 0.00 N ATOM 468 CA LEU A 34 4.536 -13.964 2.017 1.00 0.00 C ATOM 469 C LEU A 34 5.000 -12.919 1.007 1.00 0.00 C ATOM 470 O LEU A 34 5.813 -12.050 1.325 1.00 0.00 O ATOM 471 CB LEU A 34 3.881 -13.277 3.216 1.00 0.00 C ATOM 472 CG LEU A 34 2.696 -14.010 3.846 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.262 -13.319 5.129 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.537 -14.092 2.864 1.00 0.00 C ATOM 0 H LEU A 34 6.572 -14.381 2.302 1.00 0.00 H new ATOM 0 HA LEU A 34 3.804 -14.610 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.640 -13.129 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.546 -12.288 2.904 1.00 0.00 H new ATOM 0 HG LEU A 34 3.010 -15.024 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.418 -13.855 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.091 -13.313 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.966 -12.294 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.702 -14.617 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.223 -13.086 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.854 -14.632 1.972 1.00 0.00 H new ATOM 486 N THR A 35 4.476 -13.007 -0.211 1.00 0.00 N ATOM 487 CA THR A 35 4.835 -12.069 -1.267 1.00 0.00 C ATOM 488 C THR A 35 3.716 -11.064 -1.514 1.00 0.00 C ATOM 489 O THR A 35 2.597 -11.439 -1.867 1.00 0.00 O ATOM 490 CB THR A 35 5.152 -12.800 -2.585 1.00 0.00 C ATOM 491 OG1 THR A 35 5.977 -13.942 -2.325 1.00 0.00 O ATOM 492 CG2 THR A 35 5.856 -11.872 -3.564 1.00 0.00 C ATOM 0 H THR A 35 3.801 -13.719 -0.491 1.00 0.00 H new ATOM 0 HA THR A 35 5.727 -11.541 -0.929 1.00 0.00 H new ATOM 0 HB THR A 35 4.211 -13.125 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.414 -14.700 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.069 -12.411 -4.487 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.214 -11.019 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.790 -11.521 -3.125 1.00 0.00 H new ATOM 500 N LEU A 36 4.023 -9.785 -1.327 1.00 0.00 N ATOM 501 CA LEU A 36 3.042 -8.724 -1.531 1.00 0.00 C ATOM 502 C LEU A 36 3.468 -7.800 -2.666 1.00 0.00 C ATOM 503 O LEU A 36 4.645 -7.465 -2.798 1.00 0.00 O ATOM 504 CB LEU A 36 2.859 -7.919 -0.243 1.00 0.00 C ATOM 505 CG LEU A 36 2.462 -8.719 0.998 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.012 -8.062 2.255 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.948 -8.854 1.084 1.00 0.00 C ATOM 0 H LEU A 36 4.944 -9.457 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 36 2.093 -9.186 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.791 -7.395 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.099 -7.158 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 36 2.892 -9.717 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.719 -8.645 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.099 -8.017 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.612 -7.052 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.684 -9.426 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.497 -7.863 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.578 -9.369 0.198 1.00 0.00 H new ATOM 519 N GLN A 37 2.502 -7.389 -3.482 1.00 0.00 N ATOM 520 CA GLN A 37 2.778 -6.501 -4.605 1.00 0.00 C ATOM 521 C GLN A 37 1.877 -5.271 -4.561 1.00 0.00 C ATOM 522 O GLN A 37 0.714 -5.356 -4.166 1.00 0.00 O ATOM 523 CB GLN A 37 2.583 -7.243 -5.929 1.00 0.00 C ATOM 524 CG GLN A 37 3.585 -8.365 -6.151 1.00 0.00 C ATOM 525 CD GLN A 37 3.628 -8.832 -7.592 1.00 0.00 C ATOM 526 OE1 GLN A 37 3.080 -8.183 -8.484 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.281 -9.964 -7.829 1.00 0.00 N ATOM 0 H GLN A 37 1.522 -7.657 -3.386 1.00 0.00 H new ATOM 0 HA GLN A 37 3.815 -6.173 -4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.575 -7.656 -5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.660 -6.530 -6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.577 -8.025 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.330 -9.207 -5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.721 -10.470 -7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.343 -10.328 -8.780 1.00 0.00 H new ATOM 536 N TRP A 38 2.422 -4.131 -4.968 1.00 0.00 N ATOM 537 CA TRP A 38 1.666 -2.883 -4.974 1.00 0.00 C ATOM 538 C TRP A 38 2.085 -1.999 -6.144 1.00 0.00 C ATOM 539 O TRP A 38 2.997 -2.339 -6.897 1.00 0.00 O ATOM 540 CB TRP A 38 1.869 -2.134 -3.655 1.00 0.00 C ATOM 541 CG TRP A 38 3.309 -1.865 -3.340 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.054 -0.800 -3.757 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.177 -2.677 -2.542 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.334 -0.900 -3.266 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.435 -2.043 -2.517 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.015 -3.877 -1.844 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.521 -2.570 -1.823 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.094 -4.399 -1.156 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.333 -3.746 -1.149 1.00 0.00 C ATOM 0 H TRP A 38 3.383 -4.044 -5.298 1.00 0.00 H new ATOM 0 HA TRP A 38 0.610 -3.127 -5.087 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.331 -1.187 -3.697 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.430 -2.715 -2.844 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.691 0.003 -4.381 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.087 -0.232 -3.432 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.063 -4.387 -1.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.478 -2.069 -1.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.980 -5.326 -0.614 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.156 -4.179 -0.601 1.00 0.00 H new ATOM 560 N LYS A 39 1.412 -0.863 -6.291 1.00 0.00 N ATOM 561 CA LYS A 39 1.715 0.072 -7.369 1.00 0.00 C ATOM 562 C LYS A 39 2.159 1.420 -6.811 1.00 0.00 C ATOM 563 O LYS A 39 2.130 1.642 -5.601 1.00 0.00 O ATOM 564 CB LYS A 39 0.490 0.259 -8.268 1.00 0.00 C ATOM 565 CG LYS A 39 0.212 -0.931 -9.171 1.00 0.00 C ATOM 566 CD LYS A 39 -1.129 -0.796 -9.873 1.00 0.00 C ATOM 567 CE LYS A 39 -1.373 -1.948 -10.835 1.00 0.00 C ATOM 568 NZ LYS A 39 -2.297 -1.564 -11.938 1.00 0.00 N ATOM 0 H LYS A 39 0.653 -0.567 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 39 2.532 -0.344 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.384 0.443 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.634 1.147 -8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.005 -1.019 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.224 -1.847 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.927 -0.764 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.162 0.148 -10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.423 -2.277 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.791 -2.794 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.438 -2.376 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.212 -1.274 -11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.887 -0.773 -12.475 1.00 0.00 H new ATOM 582 N ALA A 40 2.570 2.317 -7.702 1.00 0.00 N ATOM 583 CA ALA A 40 3.017 3.644 -7.298 1.00 0.00 C ATOM 584 C ALA A 40 1.913 4.678 -7.493 1.00 0.00 C ATOM 585 O ALA A 40 1.353 4.827 -8.580 1.00 0.00 O ATOM 586 CB ALA A 40 4.260 4.043 -8.080 1.00 0.00 C ATOM 0 H ALA A 40 2.602 2.149 -8.707 1.00 0.00 H new ATOM 0 HA ALA A 40 3.264 3.610 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.583 5.036 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.057 3.325 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.031 4.054 -9.146 1.00 0.00 H new ATOM 592 N PRO A 41 1.591 5.412 -6.417 1.00 0.00 N ATOM 593 CA PRO A 41 0.552 6.445 -6.445 1.00 0.00 C ATOM 594 C PRO A 41 0.963 7.659 -7.271 1.00 0.00 C ATOM 595 O PRO A 41 2.004 7.651 -7.927 1.00 0.00 O ATOM 596 CB PRO A 41 0.393 6.828 -4.972 1.00 0.00 C ATOM 597 CG PRO A 41 1.705 6.493 -4.350 1.00 0.00 C ATOM 598 CD PRO A 41 2.218 5.289 -5.090 1.00 0.00 C ATOM 0 HA PRO A 41 -0.367 6.086 -6.907 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.161 7.887 -4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.420 6.273 -4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.401 7.328 -4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.590 6.278 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.306 5.292 -5.158 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.932 4.361 -4.595 1.00 0.00 H new ATOM 606 N SER A 42 0.139 8.701 -7.233 1.00 0.00 N ATOM 607 CA SER A 42 0.416 9.922 -7.981 1.00 0.00 C ATOM 608 C SER A 42 1.105 10.956 -7.096 1.00 0.00 C ATOM 609 O SER A 42 0.502 11.498 -6.170 1.00 0.00 O ATOM 610 CB SER A 42 -0.881 10.503 -8.549 1.00 0.00 C ATOM 611 OG SER A 42 -1.346 9.735 -9.645 1.00 0.00 O ATOM 0 H SER A 42 -0.726 8.724 -6.692 1.00 0.00 H new ATOM 0 HA SER A 42 1.084 9.671 -8.805 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.643 10.530 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.714 11.532 -8.867 1.00 0.00 H new ATOM 0 HG SER A 42 -2.176 10.125 -9.989 1.00 0.00 H new ATOM 617 N ASP A 43 2.373 11.224 -7.389 1.00 0.00 N ATOM 618 CA ASP A 43 3.146 12.194 -6.622 1.00 0.00 C ATOM 619 C ASP A 43 2.671 13.615 -6.906 1.00 0.00 C ATOM 620 O ASP A 43 3.025 14.207 -7.925 1.00 0.00 O ATOM 621 CB ASP A 43 4.635 12.066 -6.950 1.00 0.00 C ATOM 622 CG ASP A 43 4.944 12.433 -8.388 1.00 0.00 C ATOM 623 OD1 ASP A 43 4.839 11.548 -9.263 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.292 13.606 -8.639 1.00 0.00 O ATOM 0 H ASP A 43 2.887 10.783 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 43 2.996 11.985 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.208 12.710 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.959 11.042 -6.761 1.00 0.00 H new ATOM 629 N ASN A 44 1.865 14.157 -5.998 1.00 0.00 N ATOM 630 CA ASN A 44 1.339 15.509 -6.152 1.00 0.00 C ATOM 631 C ASN A 44 2.221 16.521 -5.428 1.00 0.00 C ATOM 632 O ASN A 44 1.988 16.842 -4.263 1.00 0.00 O ATOM 633 CB ASN A 44 -0.092 15.586 -5.616 1.00 0.00 C ATOM 634 CG ASN A 44 -0.917 14.371 -5.994 1.00 0.00 C ATOM 635 OD1 ASN A 44 -1.304 14.205 -7.151 1.00 0.00 O ATOM 636 ND2 ASN A 44 -1.190 13.514 -5.017 1.00 0.00 N ATOM 0 H ASN A 44 1.562 13.681 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 44 1.335 15.752 -7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.066 15.681 -4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.574 16.484 -6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.741 12.678 -5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.849 13.692 -4.072 1.00 0.00 H new ATOM 643 N GLY A 45 3.235 17.023 -6.127 1.00 0.00 N ATOM 644 CA GLY A 45 4.136 17.994 -5.535 1.00 0.00 C ATOM 645 C GLY A 45 5.593 17.623 -5.724 1.00 0.00 C ATOM 646 O GLY A 45 6.330 18.314 -6.427 1.00 0.00 O ATOM 0 H GLY A 45 3.448 16.774 -7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.953 18.973 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.922 18.082 -4.470 1.00 0.00 H new ATOM 650 N SER A 46 6.011 16.531 -5.093 1.00 0.00 N ATOM 651 CA SER A 46 7.392 16.073 -5.190 1.00 0.00 C ATOM 652 C SER A 46 7.450 14.567 -5.431 1.00 0.00 C ATOM 653 O SER A 46 6.709 13.799 -4.816 1.00 0.00 O ATOM 654 CB SER A 46 8.161 16.426 -3.915 1.00 0.00 C ATOM 655 OG SER A 46 9.536 16.113 -4.046 1.00 0.00 O ATOM 0 H SER A 46 5.413 15.947 -4.509 1.00 0.00 H new ATOM 0 HA SER A 46 7.856 16.578 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.046 17.488 -3.699 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.740 15.881 -3.070 1.00 0.00 H new ATOM 0 HG SER A 46 10.006 16.349 -3.219 1.00 0.00 H new ATOM 661 N LYS A 47 8.334 14.152 -6.331 1.00 0.00 N ATOM 662 CA LYS A 47 8.491 12.739 -6.655 1.00 0.00 C ATOM 663 C LYS A 47 8.758 11.919 -5.396 1.00 0.00 C ATOM 664 O LYS A 47 9.705 12.190 -4.657 1.00 0.00 O ATOM 665 CB LYS A 47 9.635 12.547 -7.653 1.00 0.00 C ATOM 666 CG LYS A 47 10.978 13.039 -7.142 1.00 0.00 C ATOM 667 CD LYS A 47 11.979 13.203 -8.273 1.00 0.00 C ATOM 668 CE LYS A 47 12.654 11.884 -8.616 1.00 0.00 C ATOM 669 NZ LYS A 47 13.769 11.571 -7.681 1.00 0.00 N ATOM 0 H LYS A 47 8.953 14.775 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 47 7.562 12.390 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.716 11.489 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.392 13.073 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.846 13.992 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.369 12.335 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.472 13.594 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.734 13.936 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.918 11.081 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.037 11.926 -9.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.203 10.664 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.484 12.325 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.400 11.505 -6.711 1.00 0.00 H new ATOM 683 N ILE A 48 7.920 10.916 -5.160 1.00 0.00 N ATOM 684 CA ILE A 48 8.068 10.056 -3.993 1.00 0.00 C ATOM 685 C ILE A 48 9.488 9.510 -3.889 1.00 0.00 C ATOM 686 O ILE A 48 10.046 9.015 -4.867 1.00 0.00 O ATOM 687 CB ILE A 48 7.079 8.876 -4.034 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.638 9.389 -3.991 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.342 7.923 -2.877 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.648 8.465 -4.666 1.00 0.00 C ATOM 0 H ILE A 48 7.131 10.679 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 48 7.852 10.671 -3.119 1.00 0.00 H new ATOM 0 HB ILE A 48 7.224 8.332 -4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.342 9.529 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.595 10.367 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.635 7.095 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.359 7.536 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.221 8.455 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.647 8.891 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.920 8.344 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.663 7.493 -4.173 1.00 0.00 H new ATOM 702 N GLN A 49 10.065 9.603 -2.695 1.00 0.00 N ATOM 703 CA GLN A 49 11.421 9.118 -2.463 1.00 0.00 C ATOM 704 C GLN A 49 11.461 7.593 -2.467 1.00 0.00 C ATOM 705 O GLN A 49 12.114 6.982 -3.312 1.00 0.00 O ATOM 706 CB GLN A 49 11.955 9.650 -1.132 1.00 0.00 C ATOM 707 CG GLN A 49 12.167 11.156 -1.121 1.00 0.00 C ATOM 708 CD GLN A 49 12.540 11.682 0.252 1.00 0.00 C ATOM 709 OE1 GLN A 49 11.748 11.611 1.192 1.00 0.00 O ATOM 710 NE2 GLN A 49 13.750 12.214 0.373 1.00 0.00 N ATOM 0 H GLN A 49 9.616 10.009 -1.874 1.00 0.00 H new ATOM 0 HA GLN A 49 12.054 9.483 -3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.258 9.384 -0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.900 9.156 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.953 11.414 -1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.257 11.650 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.373 12.252 -0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.056 12.585 1.272 1.00 0.00 H new ATOM 719 N ASN A 50 10.758 6.985 -1.516 1.00 0.00 N ATOM 720 CA ASN A 50 10.715 5.531 -1.410 1.00 0.00 C ATOM 721 C ASN A 50 9.392 5.069 -0.807 1.00 0.00 C ATOM 722 O ASN A 50 8.592 5.882 -0.341 1.00 0.00 O ATOM 723 CB ASN A 50 11.881 5.026 -0.558 1.00 0.00 C ATOM 724 CG ASN A 50 12.283 6.017 0.517 1.00 0.00 C ATOM 725 OD1 ASN A 50 11.318 6.432 1.330 1.00 0.00 O flip ATOM 726 ND2 ASN A 50 13.447 6.405 0.616 1.00 0.00 N flip ATOM 0 H ASN A 50 10.211 7.476 -0.809 1.00 0.00 H new ATOM 0 HA ASN A 50 10.801 5.115 -2.414 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.604 4.081 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.737 4.825 -1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.156 6.060 -0.030 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.702 7.072 1.345 1.00 0.00 H new ATOM 733 N PHE A 51 9.168 3.760 -0.818 1.00 0.00 N ATOM 734 CA PHE A 51 7.942 3.189 -0.272 1.00 0.00 C ATOM 735 C PHE A 51 8.169 2.662 1.142 1.00 0.00 C ATOM 736 O PHE A 51 9.119 1.921 1.395 1.00 0.00 O ATOM 737 CB PHE A 51 7.434 2.061 -1.173 1.00 0.00 C ATOM 738 CG PHE A 51 6.811 2.548 -2.450 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.645 3.296 -2.426 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.391 2.258 -3.674 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.070 3.745 -3.599 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.820 2.704 -4.851 1.00 0.00 C ATOM 743 CZ PHE A 51 5.658 3.450 -4.813 1.00 0.00 C ATOM 0 H PHE A 51 9.819 3.074 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 51 7.191 3.978 -0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.264 1.397 -1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.702 1.470 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.180 3.531 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.300 1.676 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.161 4.327 -3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.282 2.470 -5.799 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.210 3.802 -5.731 1.00 0.00 H new ATOM 753 N VAL A 52 7.291 3.052 2.060 1.00 0.00 N ATOM 754 CA VAL A 52 7.395 2.620 3.449 1.00 0.00 C ATOM 755 C VAL A 52 6.334 1.576 3.780 1.00 0.00 C ATOM 756 O VAL A 52 5.143 1.884 3.847 1.00 0.00 O ATOM 757 CB VAL A 52 7.251 3.808 4.419 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.348 3.335 5.861 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.303 4.866 4.124 1.00 0.00 C ATOM 0 H VAL A 52 6.500 3.666 1.867 1.00 0.00 H new ATOM 0 HA VAL A 52 8.385 2.180 3.571 1.00 0.00 H new ATOM 0 HB VAL A 52 6.268 4.256 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.244 4.188 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.554 2.616 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.316 2.861 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.187 5.698 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.297 4.433 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.180 5.226 3.103 1.00 0.00 H new ATOM 769 N LEU A 53 6.773 0.340 3.988 1.00 0.00 N ATOM 770 CA LEU A 53 5.862 -0.752 4.314 1.00 0.00 C ATOM 771 C LEU A 53 5.866 -1.036 5.812 1.00 0.00 C ATOM 772 O LEU A 53 6.830 -0.723 6.510 1.00 0.00 O ATOM 773 CB LEU A 53 6.250 -2.014 3.542 1.00 0.00 C ATOM 774 CG LEU A 53 5.314 -3.213 3.701 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.971 -2.932 3.044 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.947 -4.465 3.113 1.00 0.00 C ATOM 0 H LEU A 53 7.755 0.068 3.937 1.00 0.00 H new ATOM 0 HA LEU A 53 4.855 -0.451 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.310 -1.764 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.250 -2.315 3.856 1.00 0.00 H new ATOM 0 HG LEU A 53 5.146 -3.381 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.318 -3.796 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.512 -2.061 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.119 -2.738 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.267 -5.308 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.145 -4.309 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.883 -4.676 3.630 1.00 0.00 H new ATOM 788 N GLU A 54 4.783 -1.633 6.299 1.00 0.00 N ATOM 789 CA GLU A 54 4.663 -1.961 7.715 1.00 0.00 C ATOM 790 C GLU A 54 3.761 -3.174 7.918 1.00 0.00 C ATOM 791 O GLU A 54 2.882 -3.451 7.102 1.00 0.00 O ATOM 792 CB GLU A 54 4.112 -0.765 8.494 1.00 0.00 C ATOM 793 CG GLU A 54 5.148 0.312 8.770 1.00 0.00 C ATOM 794 CD GLU A 54 4.565 1.509 9.496 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.847 1.304 10.496 1.00 0.00 O ATOM 796 OE2 GLU A 54 4.828 2.651 9.063 1.00 0.00 O ATOM 0 H GLU A 54 3.976 -1.899 5.734 1.00 0.00 H new ATOM 0 HA GLU A 54 5.657 -2.203 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.286 -0.327 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.704 -1.116 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.957 -0.111 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.585 0.641 7.827 1.00 0.00 H new ATOM 803 N TRP A 55 3.984 -3.894 9.012 1.00 0.00 N ATOM 804 CA TRP A 55 3.192 -5.078 9.323 1.00 0.00 C ATOM 805 C TRP A 55 3.209 -5.367 10.820 1.00 0.00 C ATOM 806 O TRP A 55 4.106 -4.923 11.537 1.00 0.00 O ATOM 807 CB TRP A 55 3.721 -6.288 8.551 1.00 0.00 C ATOM 808 CG TRP A 55 4.991 -6.846 9.119 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.038 -6.139 9.636 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.346 -8.229 9.226 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.024 -6.998 10.058 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.623 -8.286 9.818 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.710 -9.425 8.881 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.274 -9.491 10.070 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.357 -10.620 9.132 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.627 -10.646 9.722 1.00 0.00 C ATOM 0 H TRP A 55 4.707 -3.678 9.698 1.00 0.00 H new ATOM 0 HA TRP A 55 2.162 -4.885 9.021 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.960 -7.068 8.546 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.890 -6.002 7.513 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.085 -5.062 9.703 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.910 -6.722 10.481 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.730 -9.415 8.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.254 -9.513 10.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.875 -11.550 8.869 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.105 -11.597 9.906 1.00 0.00 H new ATOM 827 N ASP A 56 2.214 -6.114 11.285 1.00 0.00 N ATOM 828 CA ASP A 56 2.116 -6.463 12.698 1.00 0.00 C ATOM 829 C ASP A 56 2.844 -7.773 12.985 1.00 0.00 C ATOM 830 O ASP A 56 2.394 -8.577 13.800 1.00 0.00 O ATOM 831 CB ASP A 56 0.650 -6.578 13.116 1.00 0.00 C ATOM 832 CG ASP A 56 -0.175 -5.386 12.670 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.381 -4.269 12.608 1.00 0.00 O ATOM 834 OD2 ASP A 56 -1.375 -5.570 12.381 1.00 0.00 O ATOM 0 H ASP A 56 1.464 -6.490 10.705 1.00 0.00 H new ATOM 0 HA ASP A 56 2.589 -5.670 13.277 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.225 -7.489 12.694 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.591 -6.672 14.200 1.00 0.00 H new ATOM 839 N GLU A 57 3.969 -7.980 12.309 1.00 0.00 N ATOM 840 CA GLU A 57 4.758 -9.193 12.491 1.00 0.00 C ATOM 841 C GLU A 57 3.854 -10.395 12.750 1.00 0.00 C ATOM 842 O GLU A 57 4.216 -11.310 13.488 1.00 0.00 O ATOM 843 CB GLU A 57 5.740 -9.020 13.651 1.00 0.00 C ATOM 844 CG GLU A 57 6.931 -8.139 13.313 1.00 0.00 C ATOM 845 CD GLU A 57 8.037 -8.231 14.348 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.593 -9.335 14.525 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.344 -7.199 14.979 1.00 0.00 O ATOM 0 H GLU A 57 4.355 -7.324 11.630 1.00 0.00 H new ATOM 0 HA GLU A 57 5.319 -9.372 11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.212 -8.591 14.503 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.100 -10.001 13.960 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.326 -8.426 12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.601 -7.104 13.231 1.00 0.00 H new ATOM 854 N GLY A 58 2.674 -10.384 12.137 1.00 0.00 N ATOM 855 CA GLY A 58 1.736 -11.477 12.314 1.00 0.00 C ATOM 856 C GLY A 58 1.680 -11.967 13.748 1.00 0.00 C ATOM 857 O GLY A 58 1.696 -13.172 14.002 1.00 0.00 O ATOM 0 H GLY A 58 2.351 -9.638 11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.742 -11.152 12.005 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.019 -12.303 11.662 1.00 0.00 H new ATOM 861 N LYS A 59 1.618 -11.031 14.689 1.00 0.00 N ATOM 862 CA LYS A 59 1.560 -11.373 16.105 1.00 0.00 C ATOM 863 C LYS A 59 0.125 -11.322 16.620 1.00 0.00 C ATOM 864 O LYS A 59 -0.379 -12.296 17.178 1.00 0.00 O ATOM 865 CB LYS A 59 2.438 -10.418 16.917 1.00 0.00 C ATOM 866 CG LYS A 59 3.927 -10.636 16.710 1.00 0.00 C ATOM 867 CD LYS A 59 4.728 -10.213 17.930 1.00 0.00 C ATOM 868 CE LYS A 59 6.076 -10.915 17.983 1.00 0.00 C ATOM 869 NZ LYS A 59 5.936 -12.361 18.312 1.00 0.00 N ATOM 0 H LYS A 59 1.607 -10.029 14.496 1.00 0.00 H new ATOM 0 HA LYS A 59 1.933 -12.390 16.223 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.189 -9.391 16.648 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.206 -10.536 17.975 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.115 -11.688 16.497 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.261 -10.070 15.840 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.879 -9.134 17.911 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.163 -10.440 18.834 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.579 -10.808 17.022 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.708 -10.432 18.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.847 -12.729 18.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.216 -12.480 19.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.647 -12.884 17.461 1.00 0.00 H new ATOM 883 N GLY A 60 -0.528 -10.180 16.426 1.00 0.00 N ATOM 884 CA GLY A 60 -1.899 -10.025 16.876 1.00 0.00 C ATOM 885 C GLY A 60 -2.011 -9.146 18.106 1.00 0.00 C ATOM 886 O GLY A 60 -2.649 -9.521 19.088 1.00 0.00 O ATOM 0 H GLY A 60 -0.132 -9.360 15.966 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.496 -9.596 16.071 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.319 -11.007 17.096 1.00 0.00 H new ATOM 890 N ASN A 61 -1.386 -7.974 18.052 1.00 0.00 N ATOM 891 CA ASN A 61 -1.416 -7.041 19.172 1.00 0.00 C ATOM 892 C ASN A 61 -1.975 -5.689 18.739 1.00 0.00 C ATOM 893 O ASN A 61 -2.649 -5.008 19.511 1.00 0.00 O ATOM 894 CB ASN A 61 -0.011 -6.862 19.752 1.00 0.00 C ATOM 895 CG ASN A 61 0.988 -6.395 18.711 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.873 -5.294 18.172 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.977 -7.234 18.423 1.00 0.00 N ATOM 0 H ASN A 61 -0.853 -7.648 17.245 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.069 -7.455 19.940 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.047 -6.140 20.567 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.327 -7.807 20.178 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.680 -6.975 17.731 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.033 -8.137 18.894 1.00 0.00 H new ATOM 904 N GLY A 62 -1.691 -5.308 17.497 1.00 0.00 N ATOM 905 CA GLY A 62 -2.174 -4.040 16.982 1.00 0.00 C ATOM 906 C GLY A 62 -1.062 -3.025 16.806 1.00 0.00 C ATOM 907 O GLY A 62 -1.298 -1.819 16.875 1.00 0.00 O ATOM 0 H GLY A 62 -1.135 -5.854 16.839 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.667 -4.204 16.024 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.925 -3.638 17.662 1.00 0.00 H new ATOM 911 N GLU A 63 0.153 -3.513 16.578 1.00 0.00 N ATOM 912 CA GLU A 63 1.305 -2.639 16.395 1.00 0.00 C ATOM 913 C GLU A 63 1.880 -2.784 14.989 1.00 0.00 C ATOM 914 O GLU A 63 1.918 -3.881 14.431 1.00 0.00 O ATOM 915 CB GLU A 63 2.384 -2.955 17.433 1.00 0.00 C ATOM 916 CG GLU A 63 3.289 -4.110 17.038 1.00 0.00 C ATOM 917 CD GLU A 63 4.375 -4.376 18.063 1.00 0.00 C ATOM 918 OE1 GLU A 63 5.405 -3.672 18.033 1.00 0.00 O ATOM 919 OE2 GLU A 63 4.194 -5.290 18.895 1.00 0.00 O ATOM 0 H GLU A 63 0.365 -4.509 16.516 1.00 0.00 H new ATOM 0 HA GLU A 63 0.972 -1.610 16.529 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.993 -2.066 17.594 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.904 -3.189 18.384 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.688 -5.010 16.909 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.749 -3.893 16.074 1.00 0.00 H new ATOM 926 N PHE A 64 2.325 -1.668 14.420 1.00 0.00 N ATOM 927 CA PHE A 64 2.896 -1.670 13.078 1.00 0.00 C ATOM 928 C PHE A 64 4.270 -1.006 13.071 1.00 0.00 C ATOM 929 O PHE A 64 4.435 0.110 13.565 1.00 0.00 O ATOM 930 CB PHE A 64 1.964 -0.948 12.103 1.00 0.00 C ATOM 931 CG PHE A 64 0.781 -1.772 11.683 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.369 -1.802 12.456 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.818 -2.517 10.515 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.459 -2.561 12.072 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.269 -3.277 10.126 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.409 -3.298 10.905 1.00 0.00 C ATOM 0 H PHE A 64 2.301 -0.752 14.867 1.00 0.00 H new ATOM 0 HA PHE A 64 3.010 -2.706 12.761 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.609 -0.027 12.566 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.530 -0.661 11.217 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.414 -1.226 13.368 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.707 -2.504 9.901 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.349 -2.578 12.684 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.227 -3.854 9.214 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.260 -3.890 10.602 1.00 0.00 H new ATOM 946 N CYS A 65 5.253 -1.701 12.508 1.00 0.00 N ATOM 947 CA CYS A 65 6.614 -1.180 12.438 1.00 0.00 C ATOM 948 C CYS A 65 7.177 -1.320 11.027 1.00 0.00 C ATOM 949 O CYS A 65 6.770 -2.202 10.271 1.00 0.00 O ATOM 950 CB CYS A 65 7.514 -1.912 13.434 1.00 0.00 C ATOM 951 SG CYS A 65 7.003 -1.735 15.159 1.00 0.00 S ATOM 0 H CYS A 65 5.133 -2.625 12.094 1.00 0.00 H new ATOM 0 HA CYS A 65 6.586 -0.121 12.695 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.534 -2.972 13.179 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.533 -1.540 13.328 1.00 0.00 H new ATOM 0 HG CYS A 65 7.824 -2.391 15.924 1.00 0.00 H new ATOM 957 N GLN A 66 8.113 -0.443 10.680 1.00 0.00 N ATOM 958 CA GLN A 66 8.729 -0.467 9.359 1.00 0.00 C ATOM 959 C GLN A 66 9.212 -1.871 9.009 1.00 0.00 C ATOM 960 O GLN A 66 10.123 -2.401 9.647 1.00 0.00 O ATOM 961 CB GLN A 66 9.899 0.516 9.300 1.00 0.00 C ATOM 962 CG GLN A 66 10.311 0.889 7.885 1.00 0.00 C ATOM 963 CD GLN A 66 11.270 2.062 7.846 1.00 0.00 C ATOM 964 OE1 GLN A 66 10.950 3.155 8.315 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.453 1.842 7.285 1.00 0.00 N ATOM 0 H GLN A 66 8.461 0.293 11.295 1.00 0.00 H new ATOM 0 HA GLN A 66 7.976 -0.169 8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.628 1.423 9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.755 0.080 9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.778 0.027 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.421 1.133 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.676 0.920 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.139 2.595 7.230 1.00 0.00 H new ATOM 974 N CYS A 67 8.597 -2.468 7.995 1.00 0.00 N ATOM 975 CA CYS A 67 8.963 -3.811 7.561 1.00 0.00 C ATOM 976 C CYS A 67 9.954 -3.758 6.403 1.00 0.00 C ATOM 977 O CYS A 67 11.030 -4.352 6.465 1.00 0.00 O ATOM 978 CB CYS A 67 7.717 -4.594 7.146 1.00 0.00 C ATOM 979 SG CYS A 67 8.006 -6.359 6.884 1.00 0.00 S ATOM 0 H CYS A 67 7.842 -2.043 7.457 1.00 0.00 H new ATOM 0 HA CYS A 67 9.439 -4.319 8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.952 -4.472 7.913 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.319 -4.162 6.228 1.00 0.00 H new ATOM 0 HG CYS A 67 7.553 -7.029 7.902 1.00 0.00 H new ATOM 985 N TYR A 68 9.583 -3.043 5.347 1.00 0.00 N ATOM 986 CA TYR A 68 10.436 -2.915 4.172 1.00 0.00 C ATOM 987 C TYR A 68 10.390 -1.495 3.616 1.00 0.00 C ATOM 988 O TYR A 68 9.331 -1.004 3.224 1.00 0.00 O ATOM 989 CB TYR A 68 10.008 -3.911 3.093 1.00 0.00 C ATOM 990 CG TYR A 68 10.800 -3.792 1.810 1.00 0.00 C ATOM 991 CD1 TYR A 68 12.013 -4.452 1.657 1.00 0.00 C ATOM 992 CD2 TYR A 68 10.336 -3.020 0.753 1.00 0.00 C ATOM 993 CE1 TYR A 68 12.741 -4.347 0.487 1.00 0.00 C ATOM 994 CE2 TYR A 68 11.056 -2.910 -0.421 1.00 0.00 C ATOM 995 CZ TYR A 68 12.258 -3.575 -0.549 1.00 0.00 C ATOM 996 OH TYR A 68 12.979 -3.466 -1.716 1.00 0.00 O ATOM 0 H TYR A 68 8.696 -2.543 5.281 1.00 0.00 H new ATOM 0 HA TYR A 68 11.460 -3.134 4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.114 -4.923 3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.951 -3.763 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 68 12.394 -5.057 2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.396 -2.497 0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.682 -4.866 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.680 -2.307 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 68 13.802 -3.993 -1.643 1.00 0.00 H new ATOM 1006 N MET A 69 11.546 -0.840 3.586 1.00 0.00 N ATOM 1007 CA MET A 69 11.638 0.524 3.077 1.00 0.00 C ATOM 1008 C MET A 69 12.693 0.624 1.980 1.00 0.00 C ATOM 1009 O MET A 69 13.891 0.557 2.249 1.00 0.00 O ATOM 1010 CB MET A 69 11.973 1.493 4.213 1.00 0.00 C ATOM 1011 CG MET A 69 12.183 2.925 3.747 1.00 0.00 C ATOM 1012 SD MET A 69 12.002 4.123 5.082 1.00 0.00 S ATOM 1013 CE MET A 69 12.451 5.639 4.240 1.00 0.00 C ATOM 0 H MET A 69 12.431 -1.231 3.908 1.00 0.00 H new ATOM 0 HA MET A 69 10.671 0.794 2.652 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.167 1.473 4.947 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.874 1.148 4.720 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.178 3.019 3.312 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.467 3.155 2.958 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.964 6.303 4.936 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.112 5.409 3.404 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.551 6.128 3.867 1.00 0.00 H new ATOM 1023 N GLY A 70 12.238 0.785 0.741 1.00 0.00 N ATOM 1024 CA GLY A 70 13.156 0.892 -0.378 1.00 0.00 C ATOM 1025 C GLY A 70 12.497 1.470 -1.615 1.00 0.00 C ATOM 1026 O GLY A 70 11.702 2.405 -1.524 1.00 0.00 O ATOM 0 H GLY A 70 11.250 0.843 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.000 1.520 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.557 -0.095 -0.611 1.00 0.00 H new ATOM 1030 N SER A 71 12.830 0.914 -2.776 1.00 0.00 N ATOM 1031 CA SER A 71 12.270 1.385 -4.037 1.00 0.00 C ATOM 1032 C SER A 71 11.374 0.320 -4.664 1.00 0.00 C ATOM 1033 O SER A 71 10.309 0.627 -5.199 1.00 0.00 O ATOM 1034 CB SER A 71 13.390 1.761 -5.008 1.00 0.00 C ATOM 1035 OG SER A 71 12.864 2.294 -6.212 1.00 0.00 O ATOM 0 H SER A 71 13.485 0.137 -2.869 1.00 0.00 H new ATOM 0 HA SER A 71 11.666 2.269 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.050 2.492 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.994 0.881 -5.229 1.00 0.00 H new ATOM 0 HG SER A 71 13.600 2.528 -6.815 1.00 0.00 H new ATOM 1041 N GLN A 72 11.815 -0.932 -4.593 1.00 0.00 N ATOM 1042 CA GLN A 72 11.055 -2.042 -5.154 1.00 0.00 C ATOM 1043 C GLN A 72 9.592 -1.970 -4.728 1.00 0.00 C ATOM 1044 O GLN A 72 9.269 -1.437 -3.667 1.00 0.00 O ATOM 1045 CB GLN A 72 11.661 -3.376 -4.716 1.00 0.00 C ATOM 1046 CG GLN A 72 13.058 -3.618 -5.263 1.00 0.00 C ATOM 1047 CD GLN A 72 13.902 -4.483 -4.347 1.00 0.00 C ATOM 1048 OE1 GLN A 72 13.522 -5.606 -4.012 1.00 0.00 O ATOM 1049 NE2 GLN A 72 15.053 -3.965 -3.937 1.00 0.00 N ATOM 0 H GLN A 72 12.694 -1.203 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 72 11.102 -1.969 -6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.695 -3.410 -3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.008 -4.186 -5.040 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.984 -4.095 -6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.556 -2.660 -5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.328 -3.031 -4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.662 -4.501 -3.319 1.00 0.00 H new ATOM 1058 N LYS A 73 8.711 -2.510 -5.563 1.00 0.00 N ATOM 1059 CA LYS A 73 7.282 -2.509 -5.274 1.00 0.00 C ATOM 1060 C LYS A 73 6.832 -3.867 -4.745 1.00 0.00 C ATOM 1061 O LYS A 73 5.734 -4.000 -4.204 1.00 0.00 O ATOM 1062 CB LYS A 73 6.486 -2.150 -6.531 1.00 0.00 C ATOM 1063 CG LYS A 73 6.586 -0.684 -6.916 1.00 0.00 C ATOM 1064 CD LYS A 73 5.412 -0.254 -7.780 1.00 0.00 C ATOM 1065 CE LYS A 73 5.588 -0.704 -9.223 1.00 0.00 C ATOM 1066 NZ LYS A 73 5.041 -2.070 -9.448 1.00 0.00 N ATOM 0 H LYS A 73 8.962 -2.954 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 73 7.093 -1.759 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.840 -2.760 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.438 -2.405 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.620 -0.072 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.518 -0.511 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.490 -0.672 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.312 0.831 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.088 0.001 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.647 -0.690 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.557 -2.103 -10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.818 -2.761 -9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.365 -2.302 -8.693 1.00 0.00 H new ATOM 1080 N GLN A 74 7.688 -4.871 -4.904 1.00 0.00 N ATOM 1081 CA GLN A 74 7.378 -6.219 -4.442 1.00 0.00 C ATOM 1082 C GLN A 74 8.400 -6.690 -3.412 1.00 0.00 C ATOM 1083 O GLN A 74 9.606 -6.645 -3.654 1.00 0.00 O ATOM 1084 CB GLN A 74 7.341 -7.190 -5.623 1.00 0.00 C ATOM 1085 CG GLN A 74 7.129 -8.639 -5.213 1.00 0.00 C ATOM 1086 CD GLN A 74 8.432 -9.368 -4.949 1.00 0.00 C ATOM 1087 OE1 GLN A 74 8.977 -9.309 -3.847 1.00 0.00 O ATOM 1088 NE2 GLN A 74 8.938 -10.060 -5.962 1.00 0.00 N ATOM 0 H GLN A 74 8.601 -4.777 -5.349 1.00 0.00 H new ATOM 0 HA GLN A 74 6.396 -6.197 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.542 -6.893 -6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.276 -7.111 -6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.511 -8.672 -4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.579 -9.158 -5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.452 -10.081 -6.859 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.813 -10.571 -5.844 1.00 0.00 H new ATOM 1097 N PHE A 75 7.909 -7.142 -2.263 1.00 0.00 N ATOM 1098 CA PHE A 75 8.780 -7.620 -1.195 1.00 0.00 C ATOM 1099 C PHE A 75 8.294 -8.963 -0.657 1.00 0.00 C ATOM 1100 O PHE A 75 7.141 -9.100 -0.248 1.00 0.00 O ATOM 1101 CB PHE A 75 8.841 -6.595 -0.061 1.00 0.00 C ATOM 1102 CG PHE A 75 9.455 -7.133 1.200 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.601 -7.910 1.152 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.886 -6.862 2.434 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.167 -8.407 2.311 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.448 -7.355 3.596 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.591 -8.128 3.535 1.00 0.00 C ATOM 0 H PHE A 75 6.913 -7.187 -2.047 1.00 0.00 H new ATOM 0 HA PHE A 75 9.780 -7.754 -1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.414 -5.730 -0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.832 -6.245 0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.057 -8.130 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.992 -6.258 2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.059 -9.013 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.994 -7.136 4.551 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.033 -8.513 4.442 1.00 0.00 H new ATOM 1117 N LYS A 76 9.182 -9.951 -0.662 1.00 0.00 N ATOM 1118 CA LYS A 76 8.846 -11.284 -0.174 1.00 0.00 C ATOM 1119 C LYS A 76 9.391 -11.501 1.234 1.00 0.00 C ATOM 1120 O LYS A 76 10.602 -11.596 1.433 1.00 0.00 O ATOM 1121 CB LYS A 76 9.404 -12.351 -1.119 1.00 0.00 C ATOM 1122 CG LYS A 76 8.997 -13.766 -0.747 1.00 0.00 C ATOM 1123 CD LYS A 76 9.994 -14.788 -1.268 1.00 0.00 C ATOM 1124 CE LYS A 76 9.320 -16.116 -1.577 1.00 0.00 C ATOM 1125 NZ LYS A 76 8.764 -16.148 -2.958 1.00 0.00 N ATOM 0 H LYS A 76 10.140 -9.854 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 76 7.760 -11.369 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.065 -12.139 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.492 -12.285 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.921 -13.851 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.009 -13.980 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.474 -14.404 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.780 -14.941 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.040 -16.925 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.519 -16.293 -0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.313 -17.069 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.058 -15.392 -3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.532 -16.005 -3.645 1.00 0.00 H new ATOM 1139 N ILE A 77 8.489 -11.581 2.206 1.00 0.00 N ATOM 1140 CA ILE A 77 8.880 -11.790 3.595 1.00 0.00 C ATOM 1141 C ILE A 77 8.975 -13.276 3.921 1.00 0.00 C ATOM 1142 O ILE A 77 7.960 -13.959 4.063 1.00 0.00 O ATOM 1143 CB ILE A 77 7.886 -11.125 4.566 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.889 -9.607 4.373 1.00 0.00 C ATOM 1145 CG2 ILE A 77 8.232 -11.482 6.004 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.560 -8.956 4.689 1.00 0.00 C ATOM 0 H ILE A 77 7.483 -11.504 2.058 1.00 0.00 H new ATOM 0 HA ILE A 77 9.860 -11.330 3.720 1.00 0.00 H new ATOM 0 HB ILE A 77 6.885 -11.498 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.659 -9.169 5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.160 -9.380 3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.521 -11.005 6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.184 -12.563 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.239 -11.134 6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.635 -7.880 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.790 -9.366 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.297 -9.152 5.728 1.00 0.00 H new ATOM 1158 N THR A 78 10.203 -13.773 4.042 1.00 0.00 N ATOM 1159 CA THR A 78 10.432 -15.178 4.352 1.00 0.00 C ATOM 1160 C THR A 78 10.597 -15.389 5.853 1.00 0.00 C ATOM 1161 O THR A 78 10.470 -14.452 6.640 1.00 0.00 O ATOM 1162 CB THR A 78 11.681 -15.717 3.629 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.787 -14.833 3.838 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.419 -15.868 2.138 1.00 0.00 C ATOM 0 H THR A 78 11.054 -13.222 3.930 1.00 0.00 H new ATOM 0 HA THR A 78 9.556 -15.726 4.004 1.00 0.00 H new ATOM 0 HB THR A 78 11.918 -16.698 4.041 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.578 -15.183 3.377 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.315 -16.250 1.648 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.595 -16.564 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.159 -14.898 1.714 1.00 0.00 H new ATOM 1172 N LYS A 79 10.881 -16.627 6.243 1.00 0.00 N ATOM 1173 CA LYS A 79 11.066 -16.963 7.650 1.00 0.00 C ATOM 1174 C LYS A 79 9.781 -16.729 8.438 1.00 0.00 C ATOM 1175 O LYS A 79 9.801 -16.130 9.515 1.00 0.00 O ATOM 1176 CB LYS A 79 12.202 -16.131 8.249 1.00 0.00 C ATOM 1177 CG LYS A 79 13.552 -16.392 7.603 1.00 0.00 C ATOM 1178 CD LYS A 79 14.691 -16.181 8.587 1.00 0.00 C ATOM 1179 CE LYS A 79 16.031 -16.077 7.874 1.00 0.00 C ATOM 1180 NZ LYS A 79 17.162 -15.952 8.835 1.00 0.00 N ATOM 0 H LYS A 79 10.988 -17.415 5.604 1.00 0.00 H new ATOM 0 HA LYS A 79 11.325 -18.020 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.959 -15.073 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.272 -16.342 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.583 -17.413 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.681 -15.729 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.512 -15.273 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.718 -17.008 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.180 -16.958 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.022 -15.214 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.057 -15.884 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.033 -15.097 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.186 -16.788 9.453 1.00 0.00 H new ATOM 1194 N LEU A 80 8.665 -17.206 7.897 1.00 0.00 N ATOM 1195 CA LEU A 80 7.371 -17.051 8.551 1.00 0.00 C ATOM 1196 C LEU A 80 6.781 -18.408 8.921 1.00 0.00 C ATOM 1197 O LEU A 80 7.423 -19.444 8.747 1.00 0.00 O ATOM 1198 CB LEU A 80 6.404 -16.294 7.639 1.00 0.00 C ATOM 1199 CG LEU A 80 6.777 -14.845 7.320 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.712 -14.199 6.448 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.972 -14.051 8.603 1.00 0.00 C ATOM 0 H LEU A 80 8.631 -17.703 7.007 1.00 0.00 H new ATOM 0 HA LEU A 80 7.521 -16.479 9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.318 -16.841 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.418 -16.301 8.103 1.00 0.00 H new ATOM 0 HG LEU A 80 7.717 -14.845 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.995 -13.169 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.620 -14.754 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.756 -14.211 6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.237 -13.023 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.048 -14.060 9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.772 -14.501 9.191 1.00 0.00 H new ATOM 1213 N SER A 81 5.554 -18.395 9.432 1.00 0.00 N ATOM 1214 CA SER A 81 4.877 -19.625 9.828 1.00 0.00 C ATOM 1215 C SER A 81 3.471 -19.685 9.239 1.00 0.00 C ATOM 1216 O SER A 81 2.827 -18.664 8.997 1.00 0.00 O ATOM 1217 CB SER A 81 4.808 -19.725 11.353 1.00 0.00 C ATOM 1218 OG SER A 81 6.097 -19.606 11.930 1.00 0.00 O ATOM 0 H SER A 81 5.008 -17.546 9.582 1.00 0.00 H new ATOM 0 HA SER A 81 5.450 -20.467 9.441 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.158 -18.942 11.743 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.365 -20.679 11.639 1.00 0.00 H new ATOM 0 HG SER A 81 6.026 -19.671 12.905 1.00 0.00 H new ATOM 1224 N PRO A 82 2.982 -20.912 9.002 1.00 0.00 N ATOM 1225 CA PRO A 82 1.648 -21.137 8.439 1.00 0.00 C ATOM 1226 C PRO A 82 0.537 -20.776 9.419 1.00 0.00 C ATOM 1227 O PRO A 82 0.694 -20.923 10.631 1.00 0.00 O ATOM 1228 CB PRO A 82 1.635 -22.639 8.145 1.00 0.00 C ATOM 1229 CG PRO A 82 2.627 -23.219 9.093 1.00 0.00 C ATOM 1230 CD PRO A 82 3.695 -22.173 9.266 1.00 0.00 C ATOM 0 HA PRO A 82 1.466 -20.516 7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.643 -23.064 8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.911 -22.842 7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.159 -23.461 10.047 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.047 -24.145 8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.118 -22.193 10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.520 -22.322 8.569 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.586 -20.305 8.887 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.724 -19.926 9.715 1.00 0.00 C ATOM 1240 C ALA A 83 -1.360 -18.785 10.659 1.00 0.00 C ATOM 1241 O ALA A 83 -1.659 -18.835 11.852 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.226 -21.127 10.504 1.00 0.00 C ATOM 0 H ALA A 83 -0.732 -20.177 7.886 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.521 -19.578 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.076 -20.829 11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.534 -21.913 9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.428 -21.500 11.146 1.00 0.00 H new ATOM 1248 N MET A 84 -0.713 -17.758 10.118 1.00 0.00 N ATOM 1249 CA MET A 84 -0.309 -16.605 10.913 1.00 0.00 C ATOM 1250 C MET A 84 -0.857 -15.313 10.314 1.00 0.00 C ATOM 1251 O MET A 84 -0.224 -14.697 9.457 1.00 0.00 O ATOM 1252 CB MET A 84 1.216 -16.531 11.005 1.00 0.00 C ATOM 1253 CG MET A 84 1.726 -15.231 11.607 1.00 0.00 C ATOM 1254 SD MET A 84 3.488 -14.978 11.319 1.00 0.00 S ATOM 1255 CE MET A 84 3.446 -13.721 10.043 1.00 0.00 C ATOM 0 H MET A 84 -0.457 -17.701 9.132 1.00 0.00 H new ATOM 0 HA MET A 84 -0.721 -16.724 11.915 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.577 -17.366 11.606 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.638 -16.650 10.007 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.169 -14.395 11.183 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.533 -15.231 12.680 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.971 -14.082 9.159 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.411 -13.499 9.785 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.931 -12.816 10.408 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.038 -14.908 10.772 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.651 -13.692 10.269 1.00 0.00 C ATOM 1267 C GLY A 85 -1.783 -12.470 10.493 1.00 0.00 C ATOM 1268 O GLY A 85 -1.508 -12.096 11.634 1.00 0.00 O ATOM 0 H GLY A 85 -2.581 -15.400 11.482 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.849 -13.803 9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.614 -13.545 10.758 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.348 -11.848 9.403 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.503 -10.662 9.485 1.00 0.00 C ATOM 1274 C CYS A 86 -1.056 -9.539 8.615 1.00 0.00 C ATOM 1275 O CYS A 86 -1.417 -9.755 7.458 1.00 0.00 O ATOM 1276 CB CYS A 86 0.927 -10.998 9.058 1.00 0.00 C ATOM 1277 SG CYS A 86 1.039 -11.877 7.482 1.00 0.00 S ATOM 0 H CYS A 86 -1.566 -12.145 8.452 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.495 -10.323 10.521 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.501 -10.074 8.988 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.394 -11.605 9.834 1.00 0.00 H new ATOM 0 HG CYS A 86 1.242 -11.024 6.523 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.121 -8.337 9.178 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.631 -7.178 8.455 1.00 0.00 C ATOM 1285 C LYS A 87 -0.488 -6.368 7.852 1.00 0.00 C ATOM 1286 O LYS A 87 0.640 -6.406 8.343 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.461 -6.294 9.387 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.898 -6.760 9.549 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.624 -5.967 10.623 1.00 0.00 C ATOM 1290 CE LYS A 87 -6.116 -6.263 10.620 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.863 -5.340 9.721 1.00 0.00 N ATOM 0 H LYS A 87 -0.826 -8.140 10.134 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.266 -7.537 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.985 -6.266 10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.460 -5.274 9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.424 -6.656 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.911 -7.819 9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.206 -6.208 11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.463 -4.901 10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.281 -7.292 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.505 -6.176 11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.876 -5.574 9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.726 -4.359 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.509 -5.441 8.748 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.788 -5.634 6.786 1.00 0.00 N ATOM 1306 CA PHE A 88 0.215 -4.813 6.116 1.00 0.00 C ATOM 1307 C PHE A 88 -0.379 -3.477 5.679 1.00 0.00 C ATOM 1308 O PHE A 88 -1.598 -3.312 5.640 1.00 0.00 O ATOM 1309 CB PHE A 88 0.783 -5.553 4.904 1.00 0.00 C ATOM 1310 CG PHE A 88 1.324 -6.915 5.232 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.478 -8.009 5.317 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.679 -7.102 5.457 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.972 -9.264 5.618 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.179 -8.354 5.758 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.325 -9.437 5.840 1.00 0.00 C ATOM 0 H PHE A 88 -1.717 -5.590 6.367 1.00 0.00 H new ATOM 0 HA PHE A 88 1.021 -4.618 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.002 -5.653 4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.578 -4.952 4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.580 -7.879 5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.351 -6.259 5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.302 -10.108 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.237 -8.486 5.929 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.714 -10.416 6.077 1.00 0.00 H new ATOM 1325 N ARG A 89 0.491 -2.528 5.351 1.00 0.00 N ATOM 1326 CA ARG A 89 0.054 -1.207 4.918 1.00 0.00 C ATOM 1327 C ARG A 89 1.121 -0.535 4.059 1.00 0.00 C ATOM 1328 O ARG A 89 2.315 -0.627 4.349 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.267 -0.330 6.130 1.00 0.00 C ATOM 1330 CG ARG A 89 0.921 -0.106 7.051 1.00 0.00 C ATOM 1331 CD ARG A 89 0.601 0.910 8.137 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.288 0.360 9.157 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.807 1.079 10.145 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -0.527 2.372 10.246 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -1.608 0.507 11.035 1.00 0.00 N ATOM 0 H ARG A 89 1.503 -2.650 5.377 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.847 -1.329 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.634 0.636 5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.075 -0.792 6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.210 -1.051 7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.775 0.240 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.527 1.244 8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.137 1.788 7.687 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.523 -0.631 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.088 2.815 9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.927 2.923 11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.826 -0.487 10.961 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.006 1.061 11.793 1.00 0.00 H new ATOM 1349 N LEU A 90 0.684 0.139 3.001 1.00 0.00 N ATOM 1350 CA LEU A 90 1.601 0.826 2.099 1.00 0.00 C ATOM 1351 C LEU A 90 1.421 2.338 2.186 1.00 0.00 C ATOM 1352 O LEU A 90 0.302 2.832 2.329 1.00 0.00 O ATOM 1353 CB LEU A 90 1.380 0.357 0.660 1.00 0.00 C ATOM 1354 CG LEU A 90 2.340 0.924 -0.386 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.684 0.214 -0.317 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.742 0.803 -1.780 1.00 0.00 C ATOM 0 H LEU A 90 -0.300 0.224 2.747 1.00 0.00 H new ATOM 0 HA LEU A 90 2.619 0.582 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.452 -0.730 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.362 0.615 0.367 1.00 0.00 H new ATOM 0 HG LEU A 90 2.499 1.981 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.355 0.631 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.118 0.352 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.543 -0.850 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.439 1.212 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.553 -0.247 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.804 1.357 -1.823 1.00 0.00 H new ATOM 1368 N SER A 91 2.528 3.068 2.097 1.00 0.00 N ATOM 1369 CA SER A 91 2.492 4.524 2.167 1.00 0.00 C ATOM 1370 C SER A 91 3.645 5.135 1.376 1.00 0.00 C ATOM 1371 O SER A 91 4.744 4.584 1.334 1.00 0.00 O ATOM 1372 CB SER A 91 2.557 4.987 3.624 1.00 0.00 C ATOM 1373 OG SER A 91 3.739 4.524 4.254 1.00 0.00 O ATOM 0 H SER A 91 3.461 2.675 1.976 1.00 0.00 H new ATOM 0 HA SER A 91 1.553 4.861 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.522 6.076 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.685 4.619 4.165 1.00 0.00 H new ATOM 0 HG SER A 91 3.629 4.566 5.227 1.00 0.00 H new ATOM 1379 N ALA A 92 3.384 6.277 0.748 1.00 0.00 N ATOM 1380 CA ALA A 92 4.398 6.964 -0.040 1.00 0.00 C ATOM 1381 C ALA A 92 4.964 8.162 0.716 1.00 0.00 C ATOM 1382 O ALA A 92 4.217 9.018 1.190 1.00 0.00 O ATOM 1383 CB ALA A 92 3.818 7.408 -1.375 1.00 0.00 C ATOM 0 H ALA A 92 2.478 6.745 0.770 1.00 0.00 H new ATOM 0 HA ALA A 92 5.214 6.265 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.587 7.920 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.468 6.536 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.983 8.086 -1.201 1.00 0.00 H new ATOM 1389 N ARG A 93 6.287 8.215 0.826 1.00 0.00 N ATOM 1390 CA ARG A 93 6.952 9.306 1.527 1.00 0.00 C ATOM 1391 C ARG A 93 7.880 10.070 0.588 1.00 0.00 C ATOM 1392 O ARG A 93 8.758 9.485 -0.045 1.00 0.00 O ATOM 1393 CB ARG A 93 7.747 8.767 2.718 1.00 0.00 C ATOM 1394 CG ARG A 93 8.719 9.775 3.308 1.00 0.00 C ATOM 1395 CD ARG A 93 9.552 9.159 4.422 1.00 0.00 C ATOM 1396 NE ARG A 93 9.960 10.152 5.413 1.00 0.00 N ATOM 1397 CZ ARG A 93 10.826 11.127 5.162 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.371 11.241 3.959 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.147 11.992 6.115 1.00 0.00 N ATOM 0 H ARG A 93 6.920 7.515 0.439 1.00 0.00 H new ATOM 0 HA ARG A 93 6.186 9.991 1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.051 8.449 3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.301 7.882 2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.377 10.149 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.167 10.631 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.978 8.373 4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.437 8.688 3.995 1.00 0.00 H new ATOM 0 HE ARG A 93 9.558 10.093 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.125 10.579 3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.036 11.991 3.769 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.729 11.909 7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.812 12.741 5.921 1.00 0.00 H new ATOM 1413 N ASN A 94 7.679 11.382 0.502 1.00 0.00 N ATOM 1414 CA ASN A 94 8.496 12.226 -0.361 1.00 0.00 C ATOM 1415 C ASN A 94 9.382 13.153 0.466 1.00 0.00 C ATOM 1416 O ASN A 94 9.388 13.089 1.695 1.00 0.00 O ATOM 1417 CB ASN A 94 7.607 13.050 -1.294 1.00 0.00 C ATOM 1418 CG ASN A 94 6.583 13.875 -0.538 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.510 13.819 0.690 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.786 14.645 -1.269 1.00 0.00 N ATOM 0 H ASN A 94 6.957 11.883 1.020 1.00 0.00 H new ATOM 0 HA ASN A 94 9.137 11.578 -0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.231 13.712 -1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.093 12.382 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.078 15.222 -0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.882 14.660 -2.284 1.00 0.00 H new ATOM 1427 N ASP A 95 10.129 14.014 -0.217 1.00 0.00 N ATOM 1428 CA ASP A 95 11.017 14.955 0.453 1.00 0.00 C ATOM 1429 C ASP A 95 10.329 15.589 1.658 1.00 0.00 C ATOM 1430 O ASP A 95 10.987 16.060 2.586 1.00 0.00 O ATOM 1431 CB ASP A 95 11.471 16.044 -0.521 1.00 0.00 C ATOM 1432 CG ASP A 95 12.518 16.960 0.081 1.00 0.00 C ATOM 1433 OD1 ASP A 95 13.557 16.448 0.548 1.00 0.00 O ATOM 1434 OD2 ASP A 95 12.299 18.189 0.085 1.00 0.00 O ATOM 0 H ASP A 95 10.137 14.079 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 95 11.890 14.405 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.874 15.578 -1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.608 16.635 -0.828 1.00 0.00 H new ATOM 1439 N TYR A 96 9.001 15.598 1.637 1.00 0.00 N ATOM 1440 CA TYR A 96 8.222 16.176 2.725 1.00 0.00 C ATOM 1441 C TYR A 96 8.059 15.179 3.868 1.00 0.00 C ATOM 1442 O TYR A 96 8.612 15.364 4.952 1.00 0.00 O ATOM 1443 CB TYR A 96 6.848 16.618 2.219 1.00 0.00 C ATOM 1444 CG TYR A 96 6.893 17.850 1.343 1.00 0.00 C ATOM 1445 CD1 TYR A 96 7.237 17.760 0.001 1.00 0.00 C ATOM 1446 CD2 TYR A 96 6.589 19.104 1.859 1.00 0.00 C ATOM 1447 CE1 TYR A 96 7.280 18.883 -0.803 1.00 0.00 C ATOM 1448 CE2 TYR A 96 6.628 20.232 1.063 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.975 20.117 -0.268 1.00 0.00 C ATOM 1450 OH TYR A 96 7.015 21.237 -1.065 1.00 0.00 O ATOM 0 H TYR A 96 8.441 15.211 0.877 1.00 0.00 H new ATOM 0 HA TYR A 96 8.760 17.046 3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.396 15.800 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.201 16.814 3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.475 16.795 -0.422 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.318 19.198 2.900 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.551 18.795 -1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.388 21.199 1.480 1.00 0.00 H new ATOM 0 HH TYR A 96 7.038 20.968 -2.007 1.00 0.00 H new ATOM 1460 N GLY A 97 7.295 14.121 3.617 1.00 0.00 N ATOM 1461 CA GLY A 97 7.072 13.109 4.633 1.00 0.00 C ATOM 1462 C GLY A 97 6.227 11.956 4.128 1.00 0.00 C ATOM 1463 O GLY A 97 5.885 11.898 2.947 1.00 0.00 O ATOM 0 H GLY A 97 6.826 13.946 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.033 12.727 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.582 13.565 5.494 1.00 0.00 H new ATOM 1467 N THR A 98 5.890 11.034 5.024 1.00 0.00 N ATOM 1468 CA THR A 98 5.083 9.876 4.663 1.00 0.00 C ATOM 1469 C THR A 98 3.596 10.213 4.686 1.00 0.00 C ATOM 1470 O THR A 98 3.051 10.583 5.726 1.00 0.00 O ATOM 1471 CB THR A 98 5.344 8.690 5.612 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.752 8.464 5.736 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.665 7.429 5.101 1.00 0.00 C ATOM 0 H THR A 98 6.164 11.067 6.006 1.00 0.00 H new ATOM 0 HA THR A 98 5.373 9.592 3.651 1.00 0.00 H new ATOM 0 HB THR A 98 4.929 8.936 6.589 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.910 7.710 6.342 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.863 6.605 5.787 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.590 7.596 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.055 7.181 4.114 1.00 0.00 H new ATOM 1481 N SER A 99 2.946 10.081 3.535 1.00 0.00 N ATOM 1482 CA SER A 99 1.522 10.375 3.423 1.00 0.00 C ATOM 1483 C SER A 99 0.688 9.277 4.077 1.00 0.00 C ATOM 1484 O SER A 99 1.161 8.160 4.280 1.00 0.00 O ATOM 1485 CB SER A 99 1.125 10.526 1.953 1.00 0.00 C ATOM 1486 OG SER A 99 1.116 9.270 1.296 1.00 0.00 O ATOM 0 H SER A 99 3.382 9.772 2.666 1.00 0.00 H new ATOM 0 HA SER A 99 1.327 11.313 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.138 10.983 1.885 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.822 11.197 1.452 1.00 0.00 H new ATOM 0 HG SER A 99 0.520 9.311 0.519 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.558 9.606 4.405 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.439 8.639 5.033 1.00 0.00 C ATOM 1494 C GLY A 100 -1.177 7.223 4.560 1.00 0.00 C ATOM 1495 O GLY A 100 -0.829 7.003 3.399 1.00 0.00 O ATOM 0 H GLY A 100 -0.973 10.524 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.313 8.686 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.475 8.904 4.820 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.343 6.260 5.460 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.119 4.857 5.129 1.00 0.00 C ATOM 1501 C PHE A 101 -2.370 4.238 4.512 1.00 0.00 C ATOM 1502 O PHE A 101 -3.490 4.517 4.940 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.713 4.075 6.379 1.00 0.00 C ATOM 1504 CG PHE A 101 0.702 4.329 6.812 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.016 5.435 7.587 1.00 0.00 C ATOM 1506 CD2 PHE A 101 1.720 3.464 6.444 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.317 5.672 7.987 1.00 0.00 C ATOM 1508 CE2 PHE A 101 3.023 3.696 6.842 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.322 4.802 7.613 1.00 0.00 C ATOM 0 H PHE A 101 -1.632 6.425 6.424 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.311 4.806 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.387 4.336 7.195 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.840 3.009 6.188 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.234 6.119 7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.493 2.599 5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.548 6.537 8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.807 3.013 6.550 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.340 4.986 7.923 1.00 0.00 H new ATOM 1519 N SER A 102 -2.170 3.396 3.502 1.00 0.00 N ATOM 1520 CA SER A 102 -3.281 2.740 2.822 1.00 0.00 C ATOM 1521 C SER A 102 -4.130 1.947 3.810 1.00 0.00 C ATOM 1522 O SER A 102 -3.768 1.799 4.977 1.00 0.00 O ATOM 1523 CB SER A 102 -2.758 1.814 1.723 1.00 0.00 C ATOM 1524 OG SER A 102 -2.075 0.702 2.275 1.00 0.00 O ATOM 0 H SER A 102 -1.249 3.152 3.137 1.00 0.00 H new ATOM 0 HA SER A 102 -3.905 3.511 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.590 1.466 1.110 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.087 2.367 1.066 1.00 0.00 H new ATOM 0 HG SER A 102 -2.605 -0.110 2.135 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.262 1.438 3.333 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.164 0.660 4.175 1.00 0.00 C ATOM 1532 C GLU A 103 -5.480 -0.608 4.678 1.00 0.00 C ATOM 1533 O GLU A 103 -4.855 -1.335 3.907 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.432 0.296 3.401 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.296 1.496 3.049 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.579 1.104 2.342 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -9.568 1.028 1.095 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.592 0.874 3.033 1.00 0.00 O ATOM 0 H GLU A 103 -5.576 1.550 2.369 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.435 1.272 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.152 -0.221 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.021 -0.404 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.540 2.043 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.727 2.174 2.413 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.604 -0.865 5.976 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.997 -2.044 6.582 1.00 0.00 C ATOM 1547 C GLU A 104 -5.528 -3.321 5.938 1.00 0.00 C ATOM 1548 O GLU A 104 -6.733 -3.575 5.937 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.268 -2.068 8.088 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.863 -0.789 8.800 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.976 0.240 8.831 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -6.861 0.129 9.706 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -5.964 1.154 7.981 1.00 0.00 O ATOM 0 H GLU A 104 -6.119 -0.273 6.628 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.921 -1.994 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.330 -2.246 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.731 -2.906 8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.564 -1.025 9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.992 -0.361 8.303 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.620 -4.123 5.390 1.00 0.00 N ATOM 1561 CA VAL A 105 -4.996 -5.374 4.743 1.00 0.00 C ATOM 1562 C VAL A 105 -4.545 -6.576 5.566 1.00 0.00 C ATOM 1563 O VAL A 105 -3.376 -6.682 5.941 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.392 -5.478 3.329 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -4.879 -4.332 2.455 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.873 -5.498 3.399 1.00 0.00 C ATOM 0 H VAL A 105 -3.619 -3.928 5.381 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.083 -5.377 4.667 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.724 -6.413 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.442 -4.422 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.966 -4.369 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.578 -3.383 2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.463 -5.572 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.518 -4.581 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.547 -6.356 3.987 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.478 -7.479 5.843 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.177 -8.676 6.622 1.00 0.00 C ATOM 1578 C LEU A 106 -4.943 -9.875 5.709 1.00 0.00 C ATOM 1579 O LEU A 106 -5.720 -10.128 4.788 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.318 -8.975 7.595 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.217 -10.293 8.363 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -4.954 -10.321 9.210 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.449 -10.500 9.232 1.00 0.00 C ATOM 0 H LEU A 106 -6.449 -7.406 5.540 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.264 -8.491 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.376 -8.160 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.254 -8.974 7.037 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.165 -11.109 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.899 -11.266 9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.081 -10.220 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.976 -9.497 9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.360 -11.443 9.771 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.533 -9.680 9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.338 -10.525 8.602 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.870 -10.612 5.972 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.534 -11.785 5.175 1.00 0.00 C ATOM 1597 C TYR A 107 -3.149 -12.960 6.069 1.00 0.00 C ATOM 1598 O TYR A 107 -2.645 -12.773 7.176 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.388 -11.464 4.214 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.834 -10.759 2.953 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.540 -11.437 1.967 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.549 -9.415 2.747 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.949 -10.798 0.813 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -2.955 -8.767 1.597 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.655 -9.462 0.633 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.060 -8.820 -0.515 1.00 0.00 O ATOM 0 H TYR A 107 -3.218 -10.418 6.732 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.416 -12.065 4.598 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.657 -10.841 4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -1.882 -12.391 3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.773 -12.482 2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.000 -8.867 3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.496 -11.341 0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.726 -7.721 1.453 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.221 -7.873 -0.321 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.390 -14.171 5.579 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.071 -15.378 6.333 1.00 0.00 C ATOM 1618 C TYR A 108 -2.213 -16.328 5.503 1.00 0.00 C ATOM 1619 O TYR A 108 -2.659 -16.858 4.485 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.354 -16.084 6.773 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.852 -15.646 8.132 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.553 -14.456 8.286 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.620 -16.420 9.262 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.008 -14.051 9.526 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.073 -16.024 10.505 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.766 -14.838 10.632 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.218 -14.439 11.869 1.00 0.00 O ATOM 0 H TYR A 108 -3.805 -14.343 4.663 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.505 -15.084 7.217 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.133 -15.898 6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.179 -17.160 6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.745 -13.837 7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.076 -17.348 9.167 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.550 -13.123 9.629 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.886 -16.639 11.373 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.965 -15.107 12.541 1.00 0.00 H new ATOM 1637 N THR A 109 -0.978 -16.540 5.947 1.00 0.00 N ATOM 1638 CA THR A 109 -0.056 -17.425 5.247 1.00 0.00 C ATOM 1639 C THR A 109 -0.770 -18.673 4.740 1.00 0.00 C ATOM 1640 O THR A 109 -1.838 -19.033 5.235 1.00 0.00 O ATOM 1641 CB THR A 109 1.114 -17.850 6.154 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.611 -18.447 7.355 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.988 -16.655 6.505 1.00 0.00 C ATOM 0 H THR A 109 -0.593 -16.111 6.788 1.00 0.00 H new ATOM 0 HA THR A 109 0.337 -16.864 4.399 1.00 0.00 H new ATOM 0 HB THR A 109 1.719 -18.577 5.612 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.326 -18.487 8.024 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.808 -16.979 7.146 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.393 -16.219 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.391 -15.909 7.029 1.00 0.00 H new ATOM 1651 N SER A 110 -0.173 -19.330 3.750 1.00 0.00 N ATOM 1652 CA SER A 110 -0.754 -20.537 3.174 1.00 0.00 C ATOM 1653 C SER A 110 -1.450 -21.370 4.246 1.00 0.00 C ATOM 1654 O SER A 110 -2.630 -21.696 4.127 1.00 0.00 O ATOM 1655 CB SER A 110 0.328 -21.371 2.486 1.00 0.00 C ATOM 1656 OG SER A 110 -0.216 -22.557 1.933 1.00 0.00 O ATOM 0 H SER A 110 0.712 -19.047 3.330 1.00 0.00 H new ATOM 0 HA SER A 110 -1.496 -20.236 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.800 -20.782 1.699 1.00 0.00 H new ATOM 0 HB3 SER A 110 1.107 -21.625 3.205 1.00 0.00 H new ATOM 0 HG SER A 110 0.496 -23.071 1.498 1.00 0.00 H new ATOM 1662 N GLY A 111 -0.708 -21.712 5.296 1.00 0.00 N ATOM 1663 CA GLY A 111 -1.269 -22.504 6.374 1.00 0.00 C ATOM 1664 C GLY A 111 -0.981 -23.984 6.217 1.00 0.00 C ATOM 1665 O GLY A 111 0.172 -24.385 6.055 1.00 0.00 O ATOM 0 H GLY A 111 0.271 -21.454 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.864 -22.157 7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.347 -22.349 6.412 1.00 0.00 H new ATOM 1669 N CYS A 112 -2.030 -24.797 6.267 1.00 0.00 N ATOM 1670 CA CYS A 112 -1.884 -26.242 6.132 1.00 0.00 C ATOM 1671 C CYS A 112 -3.202 -26.885 5.710 1.00 0.00 C ATOM 1672 O CYS A 112 -4.184 -26.854 6.451 1.00 0.00 O ATOM 1673 CB CYS A 112 -1.403 -26.853 7.449 1.00 0.00 C ATOM 1674 SG CYS A 112 -0.730 -28.523 7.286 1.00 0.00 S ATOM 0 H CYS A 112 -2.991 -24.481 6.400 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.142 -26.436 5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -0.639 -26.206 7.880 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.236 -26.875 8.152 1.00 0.00 H new ATOM 0 HG CYS A 112 -0.348 -28.953 8.452 1.00 0.00 H new ATOM 1680 N SER A 113 -3.215 -27.464 4.514 1.00 0.00 N ATOM 1681 CA SER A 113 -4.414 -28.109 3.991 1.00 0.00 C ATOM 1682 C SER A 113 -4.913 -29.187 4.949 1.00 0.00 C ATOM 1683 O SER A 113 -4.273 -29.482 5.957 1.00 0.00 O ATOM 1684 CB SER A 113 -4.130 -28.723 2.618 1.00 0.00 C ATOM 1685 OG SER A 113 -5.335 -29.002 1.926 1.00 0.00 O ATOM 0 H SER A 113 -2.410 -27.500 3.889 1.00 0.00 H new ATOM 0 HA SER A 113 -5.190 -27.350 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.519 -28.039 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.555 -29.641 2.738 1.00 0.00 H new ATOM 0 HG SER A 113 -5.127 -29.392 1.051 1.00 0.00 H new ATOM 1691 N GLY A 114 -6.064 -29.770 4.626 1.00 0.00 N ATOM 1692 CA GLY A 114 -6.631 -30.807 5.467 1.00 0.00 C ATOM 1693 C GLY A 114 -6.903 -32.089 4.704 1.00 0.00 C ATOM 1694 O GLY A 114 -6.315 -32.347 3.654 1.00 0.00 O ATOM 0 H GLY A 114 -6.613 -29.542 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -5.948 -31.016 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.560 -30.446 5.907 1.00 0.00 H new ATOM 1698 N PRO A 115 -7.812 -32.918 5.237 1.00 0.00 N ATOM 1699 CA PRO A 115 -8.180 -34.194 4.616 1.00 0.00 C ATOM 1700 C PRO A 115 -8.967 -34.004 3.323 1.00 0.00 C ATOM 1701 O PRO A 115 -9.191 -32.876 2.882 1.00 0.00 O ATOM 1702 CB PRO A 115 -9.053 -34.867 5.678 1.00 0.00 C ATOM 1703 CG PRO A 115 -9.611 -33.742 6.479 1.00 0.00 C ATOM 1704 CD PRO A 115 -8.552 -32.674 6.486 1.00 0.00 C ATOM 0 HA PRO A 115 -7.303 -34.777 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -9.846 -35.459 5.221 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -8.468 -35.544 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -10.537 -33.371 6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -9.847 -34.064 7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -8.989 -31.675 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -7.905 -32.756 7.359 1.00 0.00 H new ATOM 1712 N SER A 116 -9.384 -35.113 2.721 1.00 0.00 N ATOM 1713 CA SER A 116 -10.143 -35.068 1.477 1.00 0.00 C ATOM 1714 C SER A 116 -11.025 -36.304 1.333 1.00 0.00 C ATOM 1715 O SER A 116 -10.648 -37.400 1.748 1.00 0.00 O ATOM 1716 CB SER A 116 -9.196 -34.962 0.280 1.00 0.00 C ATOM 1717 OG SER A 116 -8.275 -33.898 0.451 1.00 0.00 O ATOM 0 H SER A 116 -9.209 -36.054 3.075 1.00 0.00 H new ATOM 0 HA SER A 116 -10.784 -34.187 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.654 -35.900 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 116 -9.773 -34.805 -0.631 1.00 0.00 H new ATOM 0 HG SER A 116 -7.680 -33.852 -0.326 1.00 0.00 H new ATOM 1723 N SER A 117 -12.202 -36.119 0.743 1.00 0.00 N ATOM 1724 CA SER A 117 -13.140 -37.218 0.548 1.00 0.00 C ATOM 1725 C SER A 117 -12.732 -38.075 -0.646 1.00 0.00 C ATOM 1726 O SER A 117 -12.681 -39.301 -0.557 1.00 0.00 O ATOM 1727 CB SER A 117 -14.556 -36.677 0.342 1.00 0.00 C ATOM 1728 OG SER A 117 -15.119 -36.242 1.568 1.00 0.00 O ATOM 0 H SER A 117 -12.528 -35.219 0.392 1.00 0.00 H new ATOM 0 HA SER A 117 -13.123 -37.841 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.533 -35.848 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.185 -37.452 -0.096 1.00 0.00 H new ATOM 0 HG SER A 117 -16.023 -35.899 1.409 1.00 0.00 H new ATOM 1734 N GLY A 118 -12.442 -37.419 -1.766 1.00 0.00 N ATOM 1735 CA GLY A 118 -12.043 -38.136 -2.963 1.00 0.00 C ATOM 1736 C GLY A 118 -11.033 -39.229 -2.675 1.00 0.00 C ATOM 1737 O GLY A 118 -9.906 -38.950 -2.266 1.00 0.00 O ATOM 0 H GLY A 118 -12.476 -36.404 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.924 -38.574 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -11.618 -37.433 -3.679 1.00 0.00 H new TER 1741 GLY A 118