USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 140:sc= 0.455! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -11.4! C(o=-17!,f=-11!) USER MOD Set 2.1: A 40 HIS : no HD1:sc= -4.22! C(o=-3.5!,f=-11!) USER MOD Set 2.2: A 74 SER OG : rot 136:sc= 0.746 USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -0.0566 (180deg=-0.432) USER MOD Single : A 7 MET CE :methyl 155:sc= -1.8 (180deg=-5.16!) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0379) USER MOD Single : A 12 ASN : amide:sc= 0.815 K(o=0.81,f=-0.68) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= -0.759 (180deg=-0.917) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1 F(o=-3.7!,f=-1) USER MOD Single : A 31 THR OG1 : rot -56:sc= 0.282 USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= -1.3 (180deg=-1.81) USER MOD Single : A 41 TYR OH : rot 146:sc= -0.689 USER MOD Single : A 45 CYS SG : rot 45:sc= -1.72! USER MOD Single : A 47 GLN :FLIP amide:sc= -3.4! C(o=-6.3!,f=-3.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.568! C(o=-12!,f=-0.57!) USER MOD Single : A 66 LYS NZ :NH3+ -156:sc= -0.145 (180deg=-1.07) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.576 F(o=-1.9,f=-0.58) USER MOD Single : A 68 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-3.4!) USER MOD Single : A 70 THR OG1 : rot 132:sc= -3.97! USER MOD Single : A 77 TYR OH : rot -140:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc=-0.00241 K(o=-0.0024,f=-1.8!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -160:sc= -2.78! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -119:sc= -0.342 (180deg=-4.05!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 140:sc= -3.29 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 109:sc= -0.244! USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -4.01! C(o=-4!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.070 -8.947 85.781 1.00 0.00 N ATOM 44 CA LYS A 4 -6.892 -8.410 87.158 1.00 0.00 C ATOM 45 C LYS A 4 -6.081 -9.391 88.010 1.00 0.00 C ATOM 46 O LYS A 4 -4.965 -9.110 88.398 1.00 0.00 O ATOM 47 CB LYS A 4 -8.271 -8.200 87.780 1.00 0.00 C ATOM 48 CG LYS A 4 -8.992 -7.058 87.050 1.00 0.00 C ATOM 49 CD LYS A 4 -8.641 -5.721 87.706 1.00 0.00 C ATOM 50 CE LYS A 4 -9.430 -4.601 87.032 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.044 -4.510 85.595 1.00 0.00 N ATOM 0 HA LYS A 4 -6.352 -7.464 87.116 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.856 -9.117 87.711 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.172 -7.964 88.839 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.702 -7.045 85.999 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.070 -7.217 87.081 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.873 -5.754 88.771 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.571 -5.530 87.619 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.499 -4.792 87.120 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.234 -3.653 87.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.333 -3.586 85.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.013 -4.614 85.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.516 -5.267 85.060 1.00 0.00 H new ATOM 65 N GLU A 5 -6.636 -10.532 88.313 1.00 0.00 N ATOM 66 CA GLU A 5 -5.907 -11.529 89.156 1.00 0.00 C ATOM 67 C GLU A 5 -4.457 -11.683 88.679 1.00 0.00 C ATOM 68 O GLU A 5 -3.617 -12.208 89.381 1.00 0.00 O ATOM 69 CB GLU A 5 -6.610 -12.885 89.060 1.00 0.00 C ATOM 70 CG GLU A 5 -7.858 -12.883 89.946 1.00 0.00 C ATOM 71 CD GLU A 5 -8.554 -14.239 89.836 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.000 -15.117 89.196 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.631 -14.377 90.393 1.00 0.00 O ATOM 0 H GLU A 5 -7.567 -10.820 88.013 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.905 -11.177 90.188 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.887 -13.090 88.026 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.932 -13.680 89.372 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.583 -12.685 90.982 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.536 -12.087 89.638 1.00 0.00 H new ATOM 80 N PHE A 6 -4.157 -11.246 87.490 1.00 0.00 N ATOM 81 CA PHE A 6 -2.762 -11.391 86.974 1.00 0.00 C ATOM 82 C PHE A 6 -1.834 -10.334 87.601 1.00 0.00 C ATOM 83 O PHE A 6 -0.984 -10.655 88.403 1.00 0.00 O ATOM 84 CB PHE A 6 -2.762 -11.240 85.451 1.00 0.00 C ATOM 85 CG PHE A 6 -1.518 -11.884 84.876 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.309 -13.262 85.030 1.00 0.00 C ATOM 87 CD2 PHE A 6 -0.579 -11.106 84.189 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.160 -13.857 84.497 1.00 0.00 C ATOM 89 CE2 PHE A 6 0.569 -11.704 83.656 1.00 0.00 C ATOM 90 CZ PHE A 6 0.778 -13.078 83.812 1.00 0.00 C ATOM 0 H PHE A 6 -4.813 -10.795 86.852 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.391 -12.379 87.246 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.653 -11.706 85.029 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.796 -10.185 85.180 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.034 -13.863 85.559 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.740 -10.045 84.070 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.002 -14.918 84.615 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.293 -11.104 83.124 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.665 -13.538 83.403 1.00 0.00 H new ATOM 100 N MET A 7 -1.963 -9.083 87.233 1.00 0.00 N ATOM 101 CA MET A 7 -1.053 -8.046 87.821 1.00 0.00 C ATOM 102 C MET A 7 -1.275 -7.952 89.335 1.00 0.00 C ATOM 103 O MET A 7 -0.402 -7.548 90.075 1.00 0.00 O ATOM 104 CB MET A 7 -1.303 -6.684 87.156 1.00 0.00 C ATOM 105 CG MET A 7 -2.544 -5.999 87.760 1.00 0.00 C ATOM 106 SD MET A 7 -3.594 -5.369 86.427 1.00 0.00 S ATOM 107 CE MET A 7 -4.100 -6.978 85.779 1.00 0.00 C ATOM 0 H MET A 7 -2.648 -8.736 86.561 1.00 0.00 H new ATOM 0 HA MET A 7 -0.019 -8.336 87.637 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.430 -6.045 87.287 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.442 -6.818 86.083 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.102 -6.707 88.373 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.239 -5.182 88.414 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.056 -6.879 85.266 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.348 -7.341 85.078 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.201 -7.686 86.602 1.00 0.00 H new ATOM 117 N TRP A 8 -2.436 -8.332 89.798 1.00 0.00 N ATOM 118 CA TRP A 8 -2.714 -8.281 91.257 1.00 0.00 C ATOM 119 C TRP A 8 -2.011 -9.468 91.930 1.00 0.00 C ATOM 120 O TRP A 8 -1.704 -9.439 93.104 1.00 0.00 O ATOM 121 CB TRP A 8 -4.233 -8.327 91.462 1.00 0.00 C ATOM 122 CG TRP A 8 -4.571 -8.878 92.804 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.918 -8.145 93.885 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.623 -10.271 93.215 1.00 0.00 C ATOM 125 NE1 TRP A 8 -5.180 -9.004 94.938 1.00 0.00 N ATOM 126 CE2 TRP A 8 -5.013 -10.327 94.575 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.374 -11.479 92.545 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.149 -11.541 95.246 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.508 -12.704 93.216 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.900 -12.735 94.566 1.00 0.00 C ATOM 0 H TRP A 8 -3.205 -8.677 89.223 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.335 -7.363 91.706 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.648 -7.324 91.361 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.690 -8.941 90.686 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.981 -7.067 93.921 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.462 -8.698 95.869 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.077 -11.466 91.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.445 -11.558 96.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.309 -13.628 92.693 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.008 -13.681 95.076 1.00 0.00 H new ATOM 141 N ALA A 9 -1.717 -10.496 91.168 1.00 0.00 N ATOM 142 CA ALA A 9 -0.992 -11.673 91.723 1.00 0.00 C ATOM 143 C ALA A 9 0.503 -11.404 91.577 1.00 0.00 C ATOM 144 O ALA A 9 1.247 -11.462 92.535 1.00 0.00 O ATOM 145 CB ALA A 9 -1.363 -12.948 90.955 1.00 0.00 C ATOM 0 H ALA A 9 -1.952 -10.566 90.178 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.263 -11.819 92.769 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.823 -13.796 91.376 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.436 -13.123 91.038 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.094 -12.831 89.905 1.00 0.00 H new ATOM 151 N LEU A 10 0.941 -11.072 90.388 1.00 0.00 N ATOM 152 CA LEU A 10 2.382 -10.754 90.186 1.00 0.00 C ATOM 153 C LEU A 10 2.811 -9.809 91.306 1.00 0.00 C ATOM 154 O LEU A 10 3.969 -9.704 91.663 1.00 0.00 O ATOM 155 CB LEU A 10 2.555 -9.994 88.863 1.00 0.00 C ATOM 156 CG LEU A 10 2.352 -10.915 87.645 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.621 -10.148 86.530 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.717 -11.374 87.121 1.00 0.00 C ATOM 0 H LEU A 10 0.361 -11.008 89.551 1.00 0.00 H new ATOM 0 HA LEU A 10 2.968 -11.673 90.178 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.841 -9.171 88.820 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.551 -9.554 88.824 1.00 0.00 H new ATOM 0 HG LEU A 10 1.759 -11.779 87.944 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.479 -10.803 85.670 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.650 -9.813 86.895 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.215 -9.283 86.233 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.575 -12.026 86.259 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.305 -10.505 86.826 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.243 -11.918 87.905 1.00 0.00 H new ATOM 170 N LYS A 11 1.864 -9.072 91.801 1.00 0.00 N ATOM 171 CA LYS A 11 2.131 -8.047 92.850 1.00 0.00 C ATOM 172 C LYS A 11 1.943 -8.575 94.282 1.00 0.00 C ATOM 173 O LYS A 11 2.854 -8.548 95.083 1.00 0.00 O ATOM 174 CB LYS A 11 1.148 -6.909 92.613 1.00 0.00 C ATOM 175 CG LYS A 11 1.112 -5.973 93.819 1.00 0.00 C ATOM 176 CD LYS A 11 0.385 -4.692 93.417 1.00 0.00 C ATOM 177 CE LYS A 11 -0.116 -3.973 94.665 1.00 0.00 C ATOM 178 NZ LYS A 11 1.045 -3.450 95.434 1.00 0.00 N ATOM 0 H LYS A 11 0.887 -9.137 91.516 1.00 0.00 H new ATOM 0 HA LYS A 11 3.173 -7.735 92.771 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.436 -6.352 91.721 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.152 -7.313 92.429 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.602 -6.452 94.655 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.125 -5.745 94.152 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.056 -4.042 92.856 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.453 -4.928 92.761 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.779 -3.154 94.385 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.697 -4.657 95.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.703 -2.902 96.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.625 -4.245 95.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.620 -2.837 94.821 1.00 0.00 H new ATOM 192 N ASN A 12 0.751 -8.986 94.635 1.00 0.00 N ATOM 193 CA ASN A 12 0.494 -9.429 96.036 1.00 0.00 C ATOM 194 C ASN A 12 1.119 -10.797 96.318 1.00 0.00 C ATOM 195 O ASN A 12 0.637 -11.559 97.133 1.00 0.00 O ATOM 196 CB ASN A 12 -1.013 -9.519 96.239 1.00 0.00 C ATOM 197 CG ASN A 12 -1.566 -8.149 96.621 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.000 -7.459 97.446 1.00 0.00 O ATOM 199 ND2 ASN A 12 -2.659 -7.720 96.051 1.00 0.00 N ATOM 0 H ASN A 12 -0.055 -9.033 94.012 1.00 0.00 H new ATOM 0 HA ASN A 12 0.943 -8.708 96.719 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.492 -9.873 95.326 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.241 -10.244 97.020 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.038 -6.806 96.298 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.134 -8.299 95.359 1.00 0.00 H new ATOM 206 N GLY A 13 2.204 -11.095 95.686 1.00 0.00 N ATOM 207 CA GLY A 13 2.889 -12.387 95.945 1.00 0.00 C ATOM 208 C GLY A 13 1.926 -13.563 95.795 1.00 0.00 C ATOM 209 O GLY A 13 2.250 -14.674 96.157 1.00 0.00 O ATOM 0 H GLY A 13 2.655 -10.497 94.993 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.722 -12.505 95.252 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.309 -12.384 96.951 1.00 0.00 H new ATOM 213 N ASP A 14 0.758 -13.352 95.252 1.00 0.00 N ATOM 214 CA ASP A 14 -0.170 -14.497 95.081 1.00 0.00 C ATOM 215 C ASP A 14 0.437 -15.421 94.041 1.00 0.00 C ATOM 216 O ASP A 14 -0.163 -15.780 93.045 1.00 0.00 O ATOM 217 CB ASP A 14 -1.541 -14.015 94.632 1.00 0.00 C ATOM 218 CG ASP A 14 -1.835 -12.652 95.268 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.401 -12.442 96.388 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.490 -11.846 94.630 1.00 0.00 O ATOM 0 H ASP A 14 0.413 -12.450 94.925 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.306 -15.022 96.027 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.573 -13.936 93.545 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.305 -14.736 94.922 1.00 0.00 H new ATOM 225 N LEU A 15 1.651 -15.782 94.288 1.00 0.00 N ATOM 226 CA LEU A 15 2.412 -16.667 93.379 1.00 0.00 C ATOM 227 C LEU A 15 1.543 -17.860 92.950 1.00 0.00 C ATOM 228 O LEU A 15 1.712 -18.418 91.882 1.00 0.00 O ATOM 229 CB LEU A 15 3.654 -17.127 94.161 1.00 0.00 C ATOM 230 CG LEU A 15 4.558 -18.036 93.319 1.00 0.00 C ATOM 231 CD1 LEU A 15 3.995 -19.462 93.306 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.673 -17.513 91.879 1.00 0.00 C ATOM 0 H LEU A 15 2.170 -15.489 95.116 1.00 0.00 H new ATOM 0 HA LEU A 15 2.707 -16.151 92.466 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.220 -16.255 94.488 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.341 -17.659 95.059 1.00 0.00 H new ATOM 0 HG LEU A 15 5.552 -18.039 93.766 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.641 -20.103 92.706 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.950 -19.845 94.326 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.993 -19.454 92.877 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.319 -18.175 91.302 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.684 -17.483 91.423 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.098 -16.509 91.889 1.00 0.00 H new ATOM 244 N ASP A 16 0.611 -18.248 93.771 1.00 0.00 N ATOM 245 CA ASP A 16 -0.270 -19.393 93.423 1.00 0.00 C ATOM 246 C ASP A 16 -1.163 -19.039 92.229 1.00 0.00 C ATOM 247 O ASP A 16 -1.498 -19.885 91.423 1.00 0.00 O ATOM 248 CB ASP A 16 -1.143 -19.725 94.629 1.00 0.00 C ATOM 249 CG ASP A 16 -0.300 -19.647 95.901 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.382 -20.614 96.193 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.350 -18.622 96.562 1.00 0.00 O ATOM 0 H ASP A 16 0.420 -17.817 94.676 1.00 0.00 H new ATOM 0 HA ASP A 16 0.346 -20.251 93.154 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.979 -19.028 94.690 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.567 -20.723 94.521 1.00 0.00 H new ATOM 256 N GLU A 17 -1.572 -17.805 92.120 1.00 0.00 N ATOM 257 CA GLU A 17 -2.469 -17.424 90.992 1.00 0.00 C ATOM 258 C GLU A 17 -1.674 -17.258 89.687 1.00 0.00 C ATOM 259 O GLU A 17 -2.130 -17.656 88.629 1.00 0.00 O ATOM 260 CB GLU A 17 -3.209 -16.127 91.338 1.00 0.00 C ATOM 261 CG GLU A 17 -4.541 -16.469 92.018 1.00 0.00 C ATOM 262 CD GLU A 17 -4.273 -17.062 93.402 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.132 -17.014 93.835 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.211 -17.555 94.006 1.00 0.00 O ATOM 0 H GLU A 17 -1.326 -17.048 92.758 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.196 -18.222 90.840 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.598 -15.511 91.998 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.388 -15.545 90.434 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.156 -15.573 92.108 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.100 -17.179 91.409 1.00 0.00 H new ATOM 271 N VAL A 18 -0.491 -16.702 89.733 1.00 0.00 N ATOM 272 CA VAL A 18 0.290 -16.561 88.465 1.00 0.00 C ATOM 273 C VAL A 18 0.704 -17.957 88.021 1.00 0.00 C ATOM 274 O VAL A 18 0.787 -18.257 86.845 1.00 0.00 O ATOM 275 CB VAL A 18 1.560 -15.725 88.694 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.398 -14.333 88.094 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.842 -15.625 90.188 1.00 0.00 C ATOM 0 H VAL A 18 -0.038 -16.346 90.574 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.323 -16.063 87.714 1.00 0.00 H new ATOM 0 HB VAL A 18 2.400 -16.214 88.201 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.306 -13.755 88.265 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.218 -14.417 87.022 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.553 -13.830 88.565 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.742 -15.032 90.349 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.999 -15.147 90.686 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.987 -16.624 90.599 1.00 0.00 H new ATOM 287 N LYS A 19 0.964 -18.804 88.973 1.00 0.00 N ATOM 288 CA LYS A 19 1.383 -20.196 88.668 1.00 0.00 C ATOM 289 C LYS A 19 0.327 -20.874 87.798 1.00 0.00 C ATOM 290 O LYS A 19 0.626 -21.748 87.010 1.00 0.00 O ATOM 291 CB LYS A 19 1.548 -20.947 89.997 1.00 0.00 C ATOM 292 CG LYS A 19 2.241 -22.296 89.775 1.00 0.00 C ATOM 293 CD LYS A 19 2.843 -22.794 91.101 1.00 0.00 C ATOM 294 CE LYS A 19 4.274 -22.267 91.251 1.00 0.00 C ATOM 295 NZ LYS A 19 4.757 -22.515 92.640 1.00 0.00 N ATOM 0 H LYS A 19 0.903 -18.586 89.968 1.00 0.00 H new ATOM 0 HA LYS A 19 2.326 -20.200 88.122 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.131 -20.343 90.692 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.571 -21.105 90.455 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.526 -23.025 89.393 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.025 -22.194 89.024 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.232 -22.457 91.938 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.843 -23.884 91.125 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.930 -22.760 90.534 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.304 -21.200 91.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.663 -22.025 92.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.057 -22.157 93.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.889 -23.536 92.784 1.00 0.00 H new ATOM 309 N ASP A 20 -0.903 -20.476 87.936 1.00 0.00 N ATOM 310 CA ASP A 20 -1.987 -21.092 87.122 1.00 0.00 C ATOM 311 C ASP A 20 -1.885 -20.634 85.662 1.00 0.00 C ATOM 312 O ASP A 20 -2.071 -21.406 84.741 1.00 0.00 O ATOM 313 CB ASP A 20 -3.347 -20.668 87.684 1.00 0.00 C ATOM 314 CG ASP A 20 -4.450 -21.511 87.037 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.390 -22.724 87.158 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.333 -20.930 86.428 1.00 0.00 O ATOM 0 H ASP A 20 -1.208 -19.747 88.581 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.884 -22.176 87.164 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.362 -20.798 88.766 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.520 -19.610 87.488 1.00 0.00 H new ATOM 321 N TYR A 21 -1.620 -19.376 85.446 1.00 0.00 N ATOM 322 CA TYR A 21 -1.542 -18.850 84.051 1.00 0.00 C ATOM 323 C TYR A 21 -0.499 -19.613 83.226 1.00 0.00 C ATOM 324 O TYR A 21 -0.822 -20.210 82.220 1.00 0.00 O ATOM 325 CB TYR A 21 -1.173 -17.366 84.098 1.00 0.00 C ATOM 326 CG TYR A 21 -2.421 -16.544 84.308 1.00 0.00 C ATOM 327 CD1 TYR A 21 -2.961 -16.407 85.592 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.037 -15.920 83.218 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.118 -15.646 85.786 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.194 -15.159 83.412 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.735 -15.021 84.696 1.00 0.00 C ATOM 332 OH TYR A 21 -5.875 -14.270 84.888 1.00 0.00 O ATOM 0 H TYR A 21 -1.453 -18.685 86.178 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.513 -18.984 83.574 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.463 -17.182 84.905 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.683 -17.072 83.170 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.484 -16.889 86.433 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.619 -16.026 82.228 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.535 -15.541 86.776 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.671 -14.677 82.571 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.175 -13.905 84.029 1.00 0.00 H new ATOM 342 N VAL A 22 0.746 -19.591 83.614 1.00 0.00 N ATOM 343 CA VAL A 22 1.768 -20.312 82.803 1.00 0.00 C ATOM 344 C VAL A 22 1.481 -21.817 82.833 1.00 0.00 C ATOM 345 O VAL A 22 2.002 -22.570 82.034 1.00 0.00 O ATOM 346 CB VAL A 22 3.177 -20.017 83.329 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.416 -20.758 84.642 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.209 -20.473 82.292 1.00 0.00 C ATOM 0 H VAL A 22 1.097 -19.113 84.444 1.00 0.00 H new ATOM 0 HA VAL A 22 1.715 -19.964 81.771 1.00 0.00 H new ATOM 0 HB VAL A 22 3.275 -18.946 83.504 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.420 -20.540 85.005 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.684 -20.433 85.382 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.314 -21.831 84.478 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.213 -20.265 82.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.101 -21.544 82.118 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.048 -19.935 81.358 1.00 0.00 H new ATOM 358 N ALA A 23 0.637 -22.265 83.729 1.00 0.00 N ATOM 359 CA ALA A 23 0.315 -23.717 83.768 1.00 0.00 C ATOM 360 C ALA A 23 -0.274 -24.087 82.411 1.00 0.00 C ATOM 361 O ALA A 23 -0.199 -25.215 81.961 1.00 0.00 O ATOM 362 CB ALA A 23 -0.717 -23.991 84.868 1.00 0.00 C ATOM 0 H ALA A 23 0.163 -21.692 84.427 1.00 0.00 H new ATOM 0 HA ALA A 23 1.208 -24.305 83.978 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.949 -25.056 84.892 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.310 -23.686 85.832 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.626 -23.426 84.663 1.00 0.00 H new ATOM 368 N LYS A 24 -0.843 -23.118 81.752 1.00 0.00 N ATOM 369 CA LYS A 24 -1.435 -23.353 80.413 1.00 0.00 C ATOM 370 C LYS A 24 -0.346 -23.847 79.461 1.00 0.00 C ATOM 371 O LYS A 24 -0.206 -25.031 79.222 1.00 0.00 O ATOM 372 CB LYS A 24 -2.008 -22.037 79.895 1.00 0.00 C ATOM 373 CG LYS A 24 -3.261 -21.682 80.698 1.00 0.00 C ATOM 374 CD LYS A 24 -3.948 -20.479 80.058 1.00 0.00 C ATOM 375 CE LYS A 24 -5.305 -20.244 80.728 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.975 -19.064 80.108 1.00 0.00 N ATOM 0 H LYS A 24 -0.923 -22.160 82.092 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.225 -24.101 80.477 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.267 -21.243 79.986 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.253 -22.125 78.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.942 -22.532 80.725 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.993 -21.455 81.730 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.322 -19.593 80.161 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.083 -20.651 78.990 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.933 -21.129 80.620 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.170 -20.077 81.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.896 -18.908 80.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.379 -18.221 80.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.118 -19.240 79.093 1.00 0.00 H new ATOM 390 N GLY A 25 0.427 -22.952 78.915 1.00 0.00 N ATOM 391 CA GLY A 25 1.508 -23.374 77.987 1.00 0.00 C ATOM 392 C GLY A 25 2.500 -22.233 77.791 1.00 0.00 C ATOM 393 O GLY A 25 2.331 -21.390 76.935 1.00 0.00 O ATOM 0 H GLY A 25 0.356 -21.947 79.072 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.021 -24.249 78.387 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.082 -23.665 77.027 1.00 0.00 H new ATOM 397 N GLU A 26 3.542 -22.229 78.577 1.00 0.00 N ATOM 398 CA GLU A 26 4.601 -21.182 78.472 1.00 0.00 C ATOM 399 C GLU A 26 4.041 -19.853 77.957 1.00 0.00 C ATOM 400 O GLU A 26 3.813 -19.670 76.777 1.00 0.00 O ATOM 401 CB GLU A 26 5.723 -21.670 77.558 1.00 0.00 C ATOM 402 CG GLU A 26 5.134 -22.455 76.392 1.00 0.00 C ATOM 403 CD GLU A 26 4.711 -23.845 76.871 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.014 -24.176 78.006 1.00 0.00 O ATOM 405 OE2 GLU A 26 4.098 -24.557 76.094 1.00 0.00 O ATOM 0 H GLU A 26 3.708 -22.924 79.305 1.00 0.00 H new ATOM 0 HA GLU A 26 4.995 -21.005 79.473 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.296 -20.821 77.185 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.414 -22.299 78.119 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.276 -21.924 75.980 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.869 -22.543 75.592 1.00 0.00 H new ATOM 412 N ASP A 27 3.858 -18.915 78.840 1.00 0.00 N ATOM 413 CA ASP A 27 3.358 -17.571 78.439 1.00 0.00 C ATOM 414 C ASP A 27 3.999 -16.551 79.376 1.00 0.00 C ATOM 415 O ASP A 27 3.396 -15.572 79.765 1.00 0.00 O ATOM 416 CB ASP A 27 1.834 -17.509 78.578 1.00 0.00 C ATOM 417 CG ASP A 27 1.186 -18.463 77.570 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.381 -18.260 76.383 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.503 -19.377 78.003 1.00 0.00 O ATOM 0 H ASP A 27 4.036 -19.023 79.838 1.00 0.00 H new ATOM 0 HA ASP A 27 3.613 -17.364 77.400 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.540 -17.781 79.592 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.484 -16.491 78.407 1.00 0.00 H new ATOM 424 N VAL A 28 5.222 -16.801 79.760 1.00 0.00 N ATOM 425 CA VAL A 28 5.925 -15.884 80.699 1.00 0.00 C ATOM 426 C VAL A 28 6.470 -14.662 79.947 1.00 0.00 C ATOM 427 O VAL A 28 7.658 -14.395 79.934 1.00 0.00 O ATOM 428 CB VAL A 28 7.061 -16.656 81.366 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.465 -17.791 82.207 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.984 -17.249 80.290 1.00 0.00 C ATOM 0 H VAL A 28 5.768 -17.609 79.460 1.00 0.00 H new ATOM 0 HA VAL A 28 5.230 -15.523 81.457 1.00 0.00 H new ATOM 0 HB VAL A 28 7.637 -15.984 82.003 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.269 -18.349 82.688 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.808 -17.373 82.969 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.894 -18.460 81.563 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.794 -17.799 80.769 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.413 -17.924 79.653 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.401 -16.444 79.684 1.00 0.00 H new ATOM 440 N ASN A 29 5.600 -13.923 79.325 1.00 0.00 N ATOM 441 CA ASN A 29 6.026 -12.720 78.572 1.00 0.00 C ATOM 442 C ASN A 29 4.776 -12.031 78.017 1.00 0.00 C ATOM 443 O ASN A 29 4.715 -11.670 76.857 1.00 0.00 O ATOM 444 CB ASN A 29 6.943 -13.144 77.425 1.00 0.00 C ATOM 445 CG ASN A 29 6.410 -14.429 76.796 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.709 -15.578 77.332 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.710 -14.387 75.803 1.00 0.00 N flip ATOM 0 H ASN A 29 4.597 -14.106 79.307 1.00 0.00 H new ATOM 0 HA ASN A 29 6.568 -12.033 79.222 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.995 -12.354 76.676 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.957 -13.300 77.794 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.475 -13.488 75.382 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.358 -15.251 75.391 1.00 0.00 H new ATOM 454 N ARG A 30 3.772 -11.861 78.839 1.00 0.00 N ATOM 455 CA ARG A 30 2.513 -11.210 78.369 1.00 0.00 C ATOM 456 C ARG A 30 2.439 -9.769 78.875 1.00 0.00 C ATOM 457 O ARG A 30 2.254 -9.519 80.049 1.00 0.00 O ATOM 458 CB ARG A 30 1.309 -11.984 78.908 1.00 0.00 C ATOM 459 CG ARG A 30 1.302 -13.410 78.327 1.00 0.00 C ATOM 460 CD ARG A 30 -0.135 -13.851 78.024 1.00 0.00 C ATOM 461 NE ARG A 30 -1.083 -13.188 78.973 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.876 -13.206 80.262 1.00 0.00 C ATOM 463 NH1 ARG A 30 0.108 -13.902 80.765 1.00 0.00 N ATOM 464 NH2 ARG A 30 -1.681 -12.548 81.049 1.00 0.00 N ATOM 0 H ARG A 30 3.771 -12.146 79.818 1.00 0.00 H new ATOM 0 HA ARG A 30 2.505 -11.210 77.279 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.349 -12.025 79.996 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.386 -11.469 78.643 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.900 -13.442 77.416 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.761 -14.101 79.034 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.395 -13.593 76.997 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.218 -14.934 78.111 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.907 -12.713 78.606 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.721 -14.437 80.150 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.263 -13.911 81.773 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.464 -12.025 80.656 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.528 -12.556 82.057 1.00 0.00 H new ATOM 478 N THR A 31 2.560 -8.819 77.993 1.00 0.00 N ATOM 479 CA THR A 31 2.473 -7.395 78.419 1.00 0.00 C ATOM 480 C THR A 31 1.095 -7.154 79.047 1.00 0.00 C ATOM 481 O THR A 31 0.158 -6.791 78.369 1.00 0.00 O ATOM 482 CB THR A 31 2.637 -6.496 77.194 1.00 0.00 C ATOM 483 OG1 THR A 31 3.919 -6.710 76.615 1.00 0.00 O ATOM 484 CG2 THR A 31 2.496 -5.026 77.592 1.00 0.00 C ATOM 0 H THR A 31 2.715 -8.966 76.996 1.00 0.00 H new ATOM 0 HA THR A 31 3.256 -7.170 79.143 1.00 0.00 H new ATOM 0 HB THR A 31 1.861 -6.742 76.469 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.613 -6.550 77.288 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.615 -4.397 76.710 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.510 -4.859 78.026 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.262 -4.772 78.324 1.00 0.00 H new ATOM 492 N LEU A 32 0.956 -7.368 80.327 1.00 0.00 N ATOM 493 CA LEU A 32 -0.382 -7.159 80.963 1.00 0.00 C ATOM 494 C LEU A 32 -0.650 -5.662 81.149 1.00 0.00 C ATOM 495 O LEU A 32 -1.778 -5.241 81.311 1.00 0.00 O ATOM 496 CB LEU A 32 -0.477 -7.923 82.305 1.00 0.00 C ATOM 497 CG LEU A 32 0.455 -7.349 83.396 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.879 -7.179 82.867 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.063 -5.995 83.894 1.00 0.00 C ATOM 0 H LEU A 32 1.699 -7.675 80.955 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.151 -7.561 80.304 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.506 -7.892 82.662 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.229 -8.971 82.138 1.00 0.00 H new ATOM 0 HG LEU A 32 0.466 -8.058 84.224 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.514 -6.774 83.655 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.267 -8.147 82.550 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.873 -6.495 82.018 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.608 -5.609 84.661 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.104 -5.293 83.061 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.061 -6.119 84.314 1.00 0.00 H new ATOM 511 N GLU A 33 0.370 -4.847 81.095 1.00 0.00 N ATOM 512 CA GLU A 33 0.159 -3.376 81.229 1.00 0.00 C ATOM 513 C GLU A 33 -0.169 -2.791 79.851 1.00 0.00 C ATOM 514 O GLU A 33 -1.295 -2.452 79.554 1.00 0.00 O ATOM 515 CB GLU A 33 1.430 -2.721 81.769 1.00 0.00 C ATOM 516 CG GLU A 33 1.154 -1.247 82.071 1.00 0.00 C ATOM 517 CD GLU A 33 0.200 -1.146 83.261 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.461 -1.796 84.259 1.00 0.00 O ATOM 519 OE2 GLU A 33 -0.775 -0.422 83.153 1.00 0.00 O ATOM 0 H GLU A 33 1.339 -5.136 80.964 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.664 -3.186 81.918 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.760 -3.233 82.673 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.236 -2.809 81.040 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.087 -0.728 82.293 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.718 -0.760 81.198 1.00 0.00 H new ATOM 526 N GLY A 34 0.826 -2.681 79.013 1.00 0.00 N ATOM 527 CA GLY A 34 0.624 -2.130 77.642 1.00 0.00 C ATOM 528 C GLY A 34 1.988 -2.069 76.957 1.00 0.00 C ATOM 529 O GLY A 34 2.097 -1.977 75.751 1.00 0.00 O ATOM 0 H GLY A 34 1.786 -2.954 79.224 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.061 -2.760 77.074 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.177 -1.137 77.691 1.00 0.00 H new ATOM 533 N GLY A 35 3.029 -2.138 77.739 1.00 0.00 N ATOM 534 CA GLY A 35 4.410 -2.102 77.184 1.00 0.00 C ATOM 535 C GLY A 35 5.378 -2.630 78.248 1.00 0.00 C ATOM 536 O GLY A 35 6.552 -2.322 78.239 1.00 0.00 O ATOM 0 H GLY A 35 2.980 -2.219 78.755 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.471 -2.710 76.282 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.678 -1.084 76.901 1.00 0.00 H new ATOM 540 N ARG A 36 4.881 -3.416 79.173 1.00 0.00 N ATOM 541 CA ARG A 36 5.750 -3.966 80.256 1.00 0.00 C ATOM 542 C ARG A 36 5.722 -5.504 80.204 1.00 0.00 C ATOM 543 O ARG A 36 5.276 -6.091 79.238 1.00 0.00 O ATOM 544 CB ARG A 36 5.232 -3.482 81.620 1.00 0.00 C ATOM 545 CG ARG A 36 4.829 -1.996 81.553 1.00 0.00 C ATOM 546 CD ARG A 36 6.081 -1.114 81.536 1.00 0.00 C ATOM 547 NE ARG A 36 6.883 -1.343 82.782 1.00 0.00 N ATOM 548 CZ ARG A 36 6.357 -1.189 83.969 1.00 0.00 C ATOM 549 NH1 ARG A 36 5.162 -0.686 84.106 1.00 0.00 N ATOM 550 NH2 ARG A 36 7.052 -1.495 85.032 1.00 0.00 N ATOM 0 H ARG A 36 3.903 -3.701 79.223 1.00 0.00 H new ATOM 0 HA ARG A 36 6.774 -3.620 80.116 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.375 -4.083 81.923 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.003 -3.621 82.378 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.233 -1.812 80.659 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.206 -1.741 82.410 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.685 -1.341 80.657 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.796 -0.064 81.464 1.00 0.00 H new ATOM 0 HE ARG A 36 7.860 -1.625 82.702 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.628 -0.408 83.282 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.761 -0.570 85.037 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.002 -1.853 84.935 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.644 -1.376 85.959 1.00 0.00 H new ATOM 564 N LYS A 37 6.205 -6.159 81.235 1.00 0.00 N ATOM 565 CA LYS A 37 6.219 -7.660 81.258 1.00 0.00 C ATOM 566 C LYS A 37 5.797 -8.151 82.667 1.00 0.00 C ATOM 567 O LYS A 37 5.612 -7.344 83.554 1.00 0.00 O ATOM 568 CB LYS A 37 7.638 -8.139 80.887 1.00 0.00 C ATOM 569 CG LYS A 37 8.540 -8.191 82.128 1.00 0.00 C ATOM 570 CD LYS A 37 8.599 -6.812 82.813 1.00 0.00 C ATOM 571 CE LYS A 37 9.181 -5.765 81.856 1.00 0.00 C ATOM 572 NZ LYS A 37 10.273 -6.377 81.053 1.00 0.00 N ATOM 0 H LYS A 37 6.593 -5.716 82.068 1.00 0.00 H new ATOM 0 HA LYS A 37 5.514 -8.072 80.536 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.585 -9.127 80.429 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.071 -7.467 80.146 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.161 -8.935 82.829 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.544 -8.504 81.842 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.599 -6.512 83.127 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.211 -6.872 83.713 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.400 -5.386 81.197 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.563 -4.914 82.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.861 -5.626 80.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.860 -6.978 81.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.862 -6.955 80.292 1.00 0.00 H new ATOM 586 N PRO A 38 5.637 -9.452 82.846 1.00 0.00 N ATOM 587 CA PRO A 38 5.215 -10.021 84.143 1.00 0.00 C ATOM 588 C PRO A 38 6.422 -10.204 85.074 1.00 0.00 C ATOM 589 O PRO A 38 6.475 -11.138 85.851 1.00 0.00 O ATOM 590 CB PRO A 38 4.635 -11.396 83.765 1.00 0.00 C ATOM 591 CG PRO A 38 5.156 -11.727 82.340 1.00 0.00 C ATOM 592 CD PRO A 38 5.848 -10.460 81.794 1.00 0.00 C ATOM 0 HA PRO A 38 4.507 -9.382 84.670 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.950 -12.158 84.478 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.545 -11.374 83.783 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.855 -12.562 82.372 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.333 -12.025 81.690 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.909 -10.632 81.614 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.411 -10.144 80.847 1.00 0.00 H new ATOM 600 N LEU A 39 7.405 -9.341 84.985 1.00 0.00 N ATOM 601 CA LEU A 39 8.618 -9.496 85.847 1.00 0.00 C ATOM 602 C LEU A 39 8.892 -8.191 86.607 1.00 0.00 C ATOM 603 O LEU A 39 9.578 -8.180 87.610 1.00 0.00 O ATOM 604 CB LEU A 39 9.807 -9.843 84.931 1.00 0.00 C ATOM 605 CG LEU A 39 11.068 -10.259 85.722 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.708 -10.975 87.026 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.913 -11.197 84.850 1.00 0.00 C ATOM 0 H LEU A 39 7.420 -8.539 84.355 1.00 0.00 H new ATOM 0 HA LEU A 39 8.466 -10.288 86.581 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.520 -10.653 84.261 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.043 -8.981 84.306 1.00 0.00 H new ATOM 0 HG LEU A 39 11.625 -9.357 85.976 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.621 -11.251 87.553 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.113 -10.311 87.653 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.133 -11.873 86.801 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.806 -11.497 85.398 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.329 -12.081 84.595 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.205 -10.680 83.936 1.00 0.00 H new ATOM 619 N HIS A 40 8.351 -7.093 86.151 1.00 0.00 N ATOM 620 CA HIS A 40 8.589 -5.799 86.860 1.00 0.00 C ATOM 621 C HIS A 40 7.794 -5.782 88.170 1.00 0.00 C ATOM 622 O HIS A 40 8.312 -5.445 89.220 1.00 0.00 O ATOM 623 CB HIS A 40 8.129 -4.645 85.964 1.00 0.00 C ATOM 624 CG HIS A 40 8.172 -3.351 86.731 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.204 -2.439 86.581 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.317 -2.802 87.654 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.947 -1.399 87.393 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.809 -1.569 88.070 1.00 0.00 N ATOM 0 H HIS A 40 7.758 -7.034 85.323 1.00 0.00 H new ATOM 0 HA HIS A 40 9.651 -5.689 87.082 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.770 -4.578 85.085 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.116 -4.832 85.607 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.402 -3.258 88.004 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.584 -0.532 87.486 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.390 -0.932 88.747 1.00 0.00 H new ATOM 636 N TYR A 41 6.550 -6.156 88.128 1.00 0.00 N ATOM 637 CA TYR A 41 5.739 -6.174 89.377 1.00 0.00 C ATOM 638 C TYR A 41 6.268 -7.289 90.263 1.00 0.00 C ATOM 639 O TYR A 41 6.361 -7.159 91.468 1.00 0.00 O ATOM 640 CB TYR A 41 4.282 -6.427 89.013 1.00 0.00 C ATOM 641 CG TYR A 41 3.970 -5.604 87.793 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.305 -6.086 86.523 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.375 -4.348 87.935 1.00 0.00 C ATOM 644 CE1 TYR A 41 4.045 -5.307 85.390 1.00 0.00 C ATOM 645 CE2 TYR A 41 3.111 -3.570 86.805 1.00 0.00 C ATOM 646 CZ TYR A 41 3.446 -4.048 85.531 1.00 0.00 C ATOM 647 OH TYR A 41 3.186 -3.279 84.416 1.00 0.00 O ATOM 0 H TYR A 41 6.057 -6.450 87.285 1.00 0.00 H new ATOM 0 HA TYR A 41 5.807 -5.224 89.906 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.115 -7.486 88.814 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.627 -6.151 89.839 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.764 -7.058 86.417 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.119 -3.979 88.917 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.305 -5.675 84.409 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.649 -2.600 86.913 1.00 0.00 H new ATOM 0 HH TYR A 41 2.362 -2.767 84.557 1.00 0.00 H new ATOM 657 N ALA A 42 6.653 -8.377 89.669 1.00 0.00 N ATOM 658 CA ALA A 42 7.219 -9.482 90.473 1.00 0.00 C ATOM 659 C ALA A 42 8.527 -8.978 91.062 1.00 0.00 C ATOM 660 O ALA A 42 8.727 -8.960 92.258 1.00 0.00 O ATOM 661 CB ALA A 42 7.502 -10.678 89.564 1.00 0.00 C ATOM 0 H ALA A 42 6.600 -8.547 88.665 1.00 0.00 H new ATOM 0 HA ALA A 42 6.527 -9.791 91.257 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.919 -11.493 90.155 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.574 -11.007 89.096 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.215 -10.388 88.792 1.00 0.00 H new ATOM 667 N ALA A 43 9.409 -8.534 90.219 1.00 0.00 N ATOM 668 CA ALA A 43 10.694 -8.002 90.718 1.00 0.00 C ATOM 669 C ALA A 43 10.398 -6.871 91.704 1.00 0.00 C ATOM 670 O ALA A 43 10.767 -6.922 92.860 1.00 0.00 O ATOM 671 CB ALA A 43 11.488 -7.443 89.535 1.00 0.00 C ATOM 0 H ALA A 43 9.293 -8.518 89.206 1.00 0.00 H new ATOM 0 HA ALA A 43 11.268 -8.787 91.209 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.439 -7.047 89.890 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.673 -8.238 88.813 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.918 -6.645 89.059 1.00 0.00 H new ATOM 677 N ASP A 44 9.741 -5.849 91.236 1.00 0.00 N ATOM 678 CA ASP A 44 9.417 -4.680 92.100 1.00 0.00 C ATOM 679 C ASP A 44 8.724 -5.104 93.402 1.00 0.00 C ATOM 680 O ASP A 44 8.951 -4.514 94.437 1.00 0.00 O ATOM 681 CB ASP A 44 8.493 -3.739 91.329 1.00 0.00 C ATOM 682 CG ASP A 44 8.300 -2.449 92.125 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.931 -2.541 93.284 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.523 -1.391 91.561 1.00 0.00 O ATOM 0 H ASP A 44 9.409 -5.772 90.275 1.00 0.00 H new ATOM 0 HA ASP A 44 10.351 -4.184 92.363 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.919 -3.515 90.351 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.530 -4.219 91.155 1.00 0.00 H new ATOM 689 N CYS A 45 7.869 -6.094 93.370 1.00 0.00 N ATOM 690 CA CYS A 45 7.157 -6.494 94.624 1.00 0.00 C ATOM 691 C CYS A 45 6.587 -7.901 94.475 1.00 0.00 C ATOM 692 O CYS A 45 5.390 -8.102 94.545 1.00 0.00 O ATOM 693 CB CYS A 45 5.987 -5.534 94.856 1.00 0.00 C ATOM 694 SG CYS A 45 6.609 -3.907 95.349 1.00 0.00 S ATOM 0 H CYS A 45 7.634 -6.638 92.540 1.00 0.00 H new ATOM 0 HA CYS A 45 7.860 -6.464 95.457 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.393 -5.445 93.946 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.329 -5.930 95.629 1.00 0.00 H new ATOM 0 HG CYS A 45 7.606 -3.574 94.584 1.00 0.00 H new ATOM 700 N GLY A 46 7.426 -8.873 94.271 1.00 0.00 N ATOM 701 CA GLY A 46 6.922 -10.270 94.115 1.00 0.00 C ATOM 702 C GLY A 46 7.400 -11.126 95.283 1.00 0.00 C ATOM 703 O GLY A 46 7.693 -12.292 95.121 1.00 0.00 O ATOM 0 H GLY A 46 8.438 -8.765 94.205 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.833 -10.271 94.074 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.277 -10.691 93.174 1.00 0.00 H new ATOM 707 N GLN A 47 7.504 -10.566 96.459 1.00 0.00 N ATOM 708 CA GLN A 47 7.992 -11.376 97.607 1.00 0.00 C ATOM 709 C GLN A 47 9.281 -12.080 97.166 1.00 0.00 C ATOM 710 O GLN A 47 9.770 -12.993 97.799 1.00 0.00 O ATOM 711 CB GLN A 47 6.920 -12.397 98.006 1.00 0.00 C ATOM 712 CG GLN A 47 5.792 -11.683 98.756 1.00 0.00 C ATOM 713 CD GLN A 47 5.368 -10.421 97.996 1.00 0.00 C ATOM 714 OE1 GLN A 47 4.997 -10.513 96.748 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.382 -9.338 98.545 1.00 0.00 N flip ATOM 0 H GLN A 47 7.275 -9.595 96.671 1.00 0.00 H new ATOM 0 HA GLN A 47 8.194 -10.747 98.474 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.525 -12.892 97.119 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.357 -13.172 98.636 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.939 -12.353 98.868 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.124 -11.418 99.760 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.672 -9.264 99.520 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.104 -8.502 98.031 1.00 0.00 H new ATOM 724 N LEU A 48 9.831 -11.621 96.070 1.00 0.00 N ATOM 725 CA LEU A 48 11.101 -12.186 95.525 1.00 0.00 C ATOM 726 C LEU A 48 10.938 -13.655 95.142 1.00 0.00 C ATOM 727 O LEU A 48 11.866 -14.293 94.690 1.00 0.00 O ATOM 728 CB LEU A 48 12.215 -12.032 96.556 1.00 0.00 C ATOM 729 CG LEU A 48 12.714 -10.566 96.625 1.00 0.00 C ATOM 730 CD1 LEU A 48 11.986 -9.664 95.620 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.489 -10.011 98.033 1.00 0.00 C ATOM 0 H LEU A 48 9.441 -10.858 95.517 1.00 0.00 H new ATOM 0 HA LEU A 48 11.361 -11.634 94.622 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.853 -12.342 97.536 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.045 -12.690 96.300 1.00 0.00 H new ATOM 0 HG LEU A 48 13.775 -10.572 96.377 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.367 -8.646 95.703 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.156 -10.034 94.609 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.917 -9.670 95.833 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.841 -8.980 98.078 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.426 -10.042 98.271 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.040 -10.614 98.754 1.00 0.00 H new ATOM 743 N GLU A 49 9.771 -14.190 95.301 1.00 0.00 N ATOM 744 CA GLU A 49 9.541 -15.612 94.912 1.00 0.00 C ATOM 745 C GLU A 49 8.945 -15.643 93.507 1.00 0.00 C ATOM 746 O GLU A 49 9.228 -16.515 92.712 1.00 0.00 O ATOM 747 CB GLU A 49 8.559 -16.274 95.885 1.00 0.00 C ATOM 748 CG GLU A 49 7.559 -15.231 96.372 1.00 0.00 C ATOM 749 CD GLU A 49 6.466 -15.901 97.211 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.724 -16.965 97.751 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.389 -15.335 97.301 1.00 0.00 O ATOM 0 H GLU A 49 8.958 -13.708 95.685 1.00 0.00 H new ATOM 0 HA GLU A 49 10.487 -16.152 94.939 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.037 -17.094 95.392 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.098 -16.702 96.730 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.071 -14.474 96.966 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.112 -14.719 95.520 1.00 0.00 H new ATOM 758 N ILE A 50 8.096 -14.704 93.219 1.00 0.00 N ATOM 759 CA ILE A 50 7.427 -14.660 91.892 1.00 0.00 C ATOM 760 C ILE A 50 8.433 -14.454 90.770 1.00 0.00 C ATOM 761 O ILE A 50 8.405 -15.153 89.776 1.00 0.00 O ATOM 762 CB ILE A 50 6.432 -13.502 91.894 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.497 -13.651 93.119 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.628 -13.508 90.580 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.030 -13.593 92.689 1.00 0.00 C ATOM 0 H ILE A 50 7.832 -13.952 93.856 1.00 0.00 H new ATOM 0 HA ILE A 50 6.922 -15.610 91.720 1.00 0.00 H new ATOM 0 HB ILE A 50 6.958 -12.550 91.964 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.697 -14.597 93.622 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.702 -12.858 93.838 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.918 -12.681 90.584 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.309 -13.398 89.736 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.087 -14.450 90.489 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.390 -13.700 93.565 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.830 -12.636 92.207 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.824 -14.402 91.988 1.00 0.00 H new ATOM 777 N LEU A 51 9.294 -13.488 90.890 1.00 0.00 N ATOM 778 CA LEU A 51 10.251 -13.240 89.786 1.00 0.00 C ATOM 779 C LEU A 51 10.914 -14.556 89.362 1.00 0.00 C ATOM 780 O LEU A 51 10.934 -14.896 88.198 1.00 0.00 O ATOM 781 CB LEU A 51 11.338 -12.194 90.141 1.00 0.00 C ATOM 782 CG LEU A 51 11.510 -11.927 91.643 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.215 -11.416 92.287 1.00 0.00 C ATOM 784 CD2 LEU A 51 11.992 -13.191 92.343 1.00 0.00 C ATOM 0 H LEU A 51 9.376 -12.867 91.695 1.00 0.00 H new ATOM 0 HA LEU A 51 9.673 -12.825 88.960 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.292 -12.530 89.735 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.094 -11.255 89.645 1.00 0.00 H new ATOM 0 HG LEU A 51 12.258 -11.143 91.759 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.382 -11.240 93.350 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.913 -10.484 91.808 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.428 -12.160 92.161 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.112 -12.994 93.408 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.261 -13.987 92.201 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.949 -13.498 91.921 1.00 0.00 H new ATOM 796 N GLU A 52 11.467 -15.294 90.285 1.00 0.00 N ATOM 797 CA GLU A 52 12.140 -16.578 89.918 1.00 0.00 C ATOM 798 C GLU A 52 11.188 -17.491 89.136 1.00 0.00 C ATOM 799 O GLU A 52 11.604 -18.238 88.271 1.00 0.00 O ATOM 800 CB GLU A 52 12.569 -17.341 91.181 1.00 0.00 C ATOM 801 CG GLU A 52 13.138 -16.393 92.236 1.00 0.00 C ATOM 802 CD GLU A 52 13.626 -17.217 93.431 1.00 0.00 C ATOM 803 OE1 GLU A 52 13.985 -18.369 93.231 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.633 -16.685 94.527 1.00 0.00 O ATOM 0 H GLU A 52 11.483 -15.065 91.279 1.00 0.00 H new ATOM 0 HA GLU A 52 13.006 -16.323 89.308 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.714 -17.876 91.593 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.317 -18.089 90.920 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.960 -15.813 91.817 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.376 -15.682 92.554 1.00 0.00 H new ATOM 811 N PHE A 53 9.929 -17.478 89.475 1.00 0.00 N ATOM 812 CA PHE A 53 8.947 -18.392 88.815 1.00 0.00 C ATOM 813 C PHE A 53 8.841 -18.164 87.307 1.00 0.00 C ATOM 814 O PHE A 53 9.431 -18.873 86.521 1.00 0.00 O ATOM 815 CB PHE A 53 7.572 -18.172 89.433 1.00 0.00 C ATOM 816 CG PHE A 53 6.582 -19.097 88.771 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.719 -20.484 88.907 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.530 -18.568 88.019 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.801 -21.341 88.289 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.613 -19.424 87.401 1.00 0.00 C ATOM 821 CZ PHE A 53 4.748 -20.811 87.536 1.00 0.00 C ATOM 0 H PHE A 53 9.532 -16.867 90.189 1.00 0.00 H new ATOM 0 HA PHE A 53 9.302 -19.411 88.972 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.607 -18.363 90.506 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.263 -17.135 89.304 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.532 -20.892 89.488 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.425 -17.498 87.915 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.906 -22.411 88.393 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.800 -19.015 86.819 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.039 -21.472 87.059 1.00 0.00 H new ATOM 831 N LEU A 54 8.045 -17.226 86.891 1.00 0.00 N ATOM 832 CA LEU A 54 7.871 -17.018 85.429 1.00 0.00 C ATOM 833 C LEU A 54 9.231 -16.880 84.739 1.00 0.00 C ATOM 834 O LEU A 54 9.318 -16.789 83.531 1.00 0.00 O ATOM 835 CB LEU A 54 6.980 -15.791 85.165 1.00 0.00 C ATOM 836 CG LEU A 54 7.641 -14.459 85.580 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.459 -14.615 86.860 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.536 -13.943 84.445 1.00 0.00 C ATOM 0 H LEU A 54 7.511 -16.598 87.492 1.00 0.00 H new ATOM 0 HA LEU A 54 7.373 -17.891 85.007 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.732 -15.751 84.104 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.042 -15.908 85.707 1.00 0.00 H new ATOM 0 HG LEU A 54 6.848 -13.737 85.775 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.910 -13.658 87.123 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.808 -14.944 87.670 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.244 -15.355 86.702 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.999 -13.003 84.745 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.312 -14.678 84.231 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.933 -13.781 83.551 1.00 0.00 H new ATOM 850 N LEU A 55 10.297 -16.887 85.488 1.00 0.00 N ATOM 851 CA LEU A 55 11.644 -16.772 84.863 1.00 0.00 C ATOM 852 C LEU A 55 12.214 -18.172 84.578 1.00 0.00 C ATOM 853 O LEU A 55 12.901 -18.376 83.599 1.00 0.00 O ATOM 854 CB LEU A 55 12.575 -16.006 85.811 1.00 0.00 C ATOM 855 CG LEU A 55 13.701 -15.324 85.026 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.499 -14.441 85.984 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.636 -16.377 84.414 1.00 0.00 C ATOM 0 H LEU A 55 10.295 -16.967 86.505 1.00 0.00 H new ATOM 0 HA LEU A 55 11.563 -16.232 83.920 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.005 -15.259 86.364 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.999 -16.691 86.545 1.00 0.00 H new ATOM 0 HG LEU A 55 13.271 -14.725 84.223 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.305 -13.949 85.439 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.841 -13.688 86.418 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.921 -15.056 86.779 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.431 -15.879 83.859 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.072 -16.982 85.209 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.069 -17.018 83.739 1.00 0.00 H new ATOM 869 N LEU A 56 11.947 -19.139 85.423 1.00 0.00 N ATOM 870 CA LEU A 56 12.510 -20.504 85.160 1.00 0.00 C ATOM 871 C LEU A 56 11.968 -21.041 83.834 1.00 0.00 C ATOM 872 O LEU A 56 12.662 -21.726 83.109 1.00 0.00 O ATOM 873 CB LEU A 56 12.249 -21.518 86.306 1.00 0.00 C ATOM 874 CG LEU A 56 11.065 -21.123 87.194 1.00 0.00 C ATOM 875 CD1 LEU A 56 9.757 -21.598 86.564 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.233 -21.802 88.554 1.00 0.00 C ATOM 0 H LEU A 56 11.378 -19.049 86.264 1.00 0.00 H new ATOM 0 HA LEU A 56 13.593 -20.391 85.103 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.062 -22.503 85.877 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.145 -21.602 86.921 1.00 0.00 H new ATOM 0 HG LEU A 56 11.037 -20.039 87.304 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.921 -21.313 87.202 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.638 -21.138 85.583 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.778 -22.682 86.456 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.398 -21.532 89.201 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.254 -22.884 88.421 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.167 -21.475 89.011 1.00 0.00 H new ATOM 888 N LYS A 57 10.758 -20.711 83.487 1.00 0.00 N ATOM 889 CA LYS A 57 10.228 -21.184 82.181 1.00 0.00 C ATOM 890 C LYS A 57 10.955 -20.379 81.098 1.00 0.00 C ATOM 891 O LYS A 57 12.115 -20.617 80.824 1.00 0.00 O ATOM 892 CB LYS A 57 8.709 -20.953 82.105 1.00 0.00 C ATOM 893 CG LYS A 57 7.967 -22.266 82.379 1.00 0.00 C ATOM 894 CD LYS A 57 8.155 -22.668 83.844 1.00 0.00 C ATOM 895 CE LYS A 57 7.468 -24.013 84.098 1.00 0.00 C ATOM 896 NZ LYS A 57 7.765 -24.473 85.484 1.00 0.00 N ATOM 0 H LYS A 57 10.120 -20.142 84.043 1.00 0.00 H new ATOM 0 HA LYS A 57 10.397 -22.253 82.049 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.410 -20.198 82.832 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.439 -20.571 81.120 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.906 -22.149 82.157 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.345 -23.052 81.725 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.217 -22.740 84.079 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.735 -21.904 84.498 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.391 -23.915 83.960 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.816 -24.752 83.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.298 -25.386 85.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.793 -24.583 85.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.412 -23.771 86.166 1.00 0.00 H new ATOM 910 N GLY A 58 10.315 -19.401 80.517 1.00 0.00 N ATOM 911 CA GLY A 58 11.017 -18.571 79.506 1.00 0.00 C ATOM 912 C GLY A 58 11.939 -17.628 80.273 1.00 0.00 C ATOM 913 O GLY A 58 12.567 -18.030 81.233 1.00 0.00 O ATOM 0 H GLY A 58 9.345 -19.145 80.699 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.588 -19.197 78.821 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.303 -18.009 78.904 1.00 0.00 H new ATOM 917 N ALA A 59 12.013 -16.378 79.900 1.00 0.00 N ATOM 918 CA ALA A 59 12.893 -15.443 80.663 1.00 0.00 C ATOM 919 C ALA A 59 12.841 -14.026 80.081 1.00 0.00 C ATOM 920 O ALA A 59 13.656 -13.641 79.265 1.00 0.00 O ATOM 921 CB ALA A 59 14.344 -15.944 80.645 1.00 0.00 C ATOM 0 H ALA A 59 11.511 -15.968 79.113 1.00 0.00 H new ATOM 0 HA ALA A 59 12.527 -15.411 81.689 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.974 -15.253 81.205 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.393 -16.932 81.102 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.696 -16.003 79.615 1.00 0.00 H new ATOM 927 N ASP A 60 11.911 -13.232 80.539 1.00 0.00 N ATOM 928 CA ASP A 60 11.831 -11.821 80.069 1.00 0.00 C ATOM 929 C ASP A 60 12.971 -11.066 80.753 1.00 0.00 C ATOM 930 O ASP A 60 13.131 -9.869 80.620 1.00 0.00 O ATOM 931 CB ASP A 60 10.481 -11.223 80.476 1.00 0.00 C ATOM 932 CG ASP A 60 10.256 -9.909 79.729 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.919 -8.941 80.063 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.425 -9.893 78.837 1.00 0.00 O ATOM 0 H ASP A 60 11.202 -13.502 81.220 1.00 0.00 H new ATOM 0 HA ASP A 60 11.918 -11.754 78.984 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.678 -11.924 80.249 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.458 -11.050 81.552 1.00 0.00 H new ATOM 939 N ILE A 61 13.757 -11.801 81.492 1.00 0.00 N ATOM 940 CA ILE A 61 14.915 -11.224 82.232 1.00 0.00 C ATOM 941 C ILE A 61 15.805 -10.443 81.275 1.00 0.00 C ATOM 942 O ILE A 61 16.525 -9.544 81.669 1.00 0.00 O ATOM 943 CB ILE A 61 15.718 -12.390 82.817 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.826 -11.875 83.744 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.345 -13.189 81.669 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.869 -12.979 83.973 1.00 0.00 C ATOM 0 H ILE A 61 13.640 -12.807 81.616 1.00 0.00 H new ATOM 0 HA ILE A 61 14.565 -10.553 83.017 1.00 0.00 H new ATOM 0 HB ILE A 61 15.048 -13.025 83.397 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.302 -10.998 83.305 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.399 -11.562 84.697 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.919 -14.022 82.076 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.558 -13.574 81.021 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.005 -12.541 81.093 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.654 -12.607 84.632 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.389 -13.844 84.432 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.306 -13.271 83.018 1.00 0.00 H new ATOM 958 N ASN A 62 15.776 -10.791 80.025 1.00 0.00 N ATOM 959 CA ASN A 62 16.645 -10.089 79.036 1.00 0.00 C ATOM 960 C ASN A 62 15.851 -9.759 77.771 1.00 0.00 C ATOM 961 O ASN A 62 15.943 -8.675 77.237 1.00 0.00 O ATOM 962 CB ASN A 62 17.822 -10.995 78.670 1.00 0.00 C ATOM 963 CG ASN A 62 17.301 -12.325 78.114 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.213 -12.847 78.611 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.893 -12.894 77.218 1.00 0.00 N flip ATOM 0 H ASN A 62 15.189 -11.531 79.640 1.00 0.00 H new ATOM 0 HA ASN A 62 17.009 -9.161 79.478 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.454 -10.504 77.930 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.441 -11.175 79.549 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.743 -12.486 76.829 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.539 -13.779 76.855 1.00 0.00 H new ATOM 972 N ALA A 63 15.069 -10.700 77.311 1.00 0.00 N ATOM 973 CA ALA A 63 14.228 -10.523 76.076 1.00 0.00 C ATOM 974 C ALA A 63 13.925 -9.049 75.737 1.00 0.00 C ATOM 975 O ALA A 63 14.164 -8.634 74.621 1.00 0.00 O ATOM 976 CB ALA A 63 12.913 -11.282 76.259 1.00 0.00 C ATOM 0 H ALA A 63 14.972 -11.615 77.751 1.00 0.00 H new ATOM 0 HA ALA A 63 14.805 -10.919 75.240 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.296 -11.160 75.369 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.122 -12.341 76.413 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.382 -10.887 77.125 1.00 0.00 H new ATOM 982 N PRO A 64 13.415 -8.302 76.688 1.00 0.00 N ATOM 983 CA PRO A 64 13.073 -6.884 76.503 1.00 0.00 C ATOM 984 C PRO A 64 13.756 -6.246 75.288 1.00 0.00 C ATOM 985 O PRO A 64 14.947 -6.372 75.071 1.00 0.00 O ATOM 986 CB PRO A 64 13.518 -6.292 77.837 1.00 0.00 C ATOM 987 CG PRO A 64 13.378 -7.454 78.873 1.00 0.00 C ATOM 988 CD PRO A 64 13.154 -8.749 78.060 1.00 0.00 C ATOM 0 HA PRO A 64 12.021 -6.710 76.278 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.546 -5.934 77.785 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.898 -5.440 78.116 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.274 -7.534 79.489 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.542 -7.272 79.549 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.834 -9.544 78.365 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.141 -9.133 78.177 1.00 0.00 H new ATOM 996 N ASP A 65 12.961 -5.572 74.491 1.00 0.00 N ATOM 997 CA ASP A 65 13.460 -4.902 73.257 1.00 0.00 C ATOM 998 C ASP A 65 12.881 -3.483 73.188 1.00 0.00 C ATOM 999 O ASP A 65 13.593 -2.524 72.971 1.00 0.00 O ATOM 1000 CB ASP A 65 12.982 -5.700 72.043 1.00 0.00 C ATOM 1001 CG ASP A 65 13.822 -6.972 71.911 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.940 -6.875 71.436 1.00 0.00 O ATOM 1003 OD2 ASP A 65 13.331 -8.023 72.292 1.00 0.00 O ATOM 0 H ASP A 65 11.960 -5.458 74.653 1.00 0.00 H new ATOM 0 HA ASP A 65 14.549 -4.853 73.268 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.928 -5.956 72.154 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.070 -5.097 71.139 1.00 0.00 H new ATOM 1008 N LYS A 66 11.589 -3.345 73.376 1.00 0.00 N ATOM 1009 CA LYS A 66 10.953 -2.002 73.332 1.00 0.00 C ATOM 1010 C LYS A 66 11.013 -1.369 74.727 1.00 0.00 C ATOM 1011 O LYS A 66 10.941 -0.166 74.883 1.00 0.00 O ATOM 1012 CB LYS A 66 9.502 -2.154 72.893 1.00 0.00 C ATOM 1013 CG LYS A 66 8.978 -0.801 72.423 1.00 0.00 C ATOM 1014 CD LYS A 66 9.323 -0.583 70.945 1.00 0.00 C ATOM 1015 CE LYS A 66 8.732 0.746 70.471 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.274 0.772 70.773 1.00 0.00 N ATOM 0 H LYS A 66 10.948 -4.117 73.559 1.00 0.00 H new ATOM 0 HA LYS A 66 11.480 -1.361 72.625 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.427 -2.886 72.089 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.896 -2.525 73.719 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.898 -0.753 72.563 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.413 -0.005 73.027 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.405 -0.580 70.810 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.929 -1.403 70.344 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.233 1.577 70.967 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.896 0.869 69.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.798 1.436 70.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.876 -0.180 70.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.129 1.079 71.756 1.00 0.00 H new ATOM 1030 N HIS A 67 11.164 -2.183 75.732 1.00 0.00 N ATOM 1031 CA HIS A 67 11.257 -1.678 77.125 1.00 0.00 C ATOM 1032 C HIS A 67 12.680 -1.185 77.359 1.00 0.00 C ATOM 1033 O HIS A 67 13.023 -0.717 78.424 1.00 0.00 O ATOM 1034 CB HIS A 67 10.939 -2.835 78.072 1.00 0.00 C ATOM 1035 CG HIS A 67 9.821 -3.663 77.499 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.675 -3.321 76.822 1.00 0.00 N flip ATOM 1037 CD2 HIS A 67 9.807 -5.044 77.594 1.00 0.00 C flip ATOM 1038 CE1 HIS A 67 7.960 -4.472 76.502 1.00 0.00 C flip ATOM 1039 NE2 HIS A 67 8.687 -5.481 76.991 1.00 0.00 N flip ATOM 0 H HIS A 67 11.228 -3.197 75.643 1.00 0.00 H new ATOM 0 HA HIS A 67 10.557 -0.861 77.299 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.825 -3.453 78.218 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.655 -2.449 79.051 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.559 -5.659 78.066 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.021 -4.536 75.973 1.00 0.00 H new ATOM 0 HE2 HIS A 67 8.424 -6.464 76.916 1.00 0.00 H new ATOM 1047 N HIS A 68 13.498 -1.285 76.348 1.00 0.00 N ATOM 1048 CA HIS A 68 14.910 -0.833 76.457 1.00 0.00 C ATOM 1049 C HIS A 68 15.460 -1.137 77.846 1.00 0.00 C ATOM 1050 O HIS A 68 16.386 -0.497 78.301 1.00 0.00 O ATOM 1051 CB HIS A 68 14.984 0.677 76.205 1.00 0.00 C ATOM 1052 CG HIS A 68 14.028 1.404 77.115 1.00 0.00 C ATOM 1053 ND1 HIS A 68 12.766 1.799 76.696 1.00 0.00 N ATOM 1054 CD2 HIS A 68 14.134 1.820 78.421 1.00 0.00 C ATOM 1055 CE1 HIS A 68 12.169 2.422 77.729 1.00 0.00 C ATOM 1056 NE2 HIS A 68 12.960 2.463 78.806 1.00 0.00 N ATOM 0 H HIS A 68 13.242 -1.667 75.438 1.00 0.00 H new ATOM 0 HA HIS A 68 15.506 -1.364 75.715 1.00 0.00 H new ATOM 0 HB2 HIS A 68 16.000 1.032 76.375 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.741 0.892 75.164 1.00 0.00 H new ATOM 0 HD2 HIS A 68 14.997 1.671 79.053 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.173 2.838 77.692 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.749 2.876 79.714 1.00 0.00 H new ATOM 1064 N ILE A 69 14.916 -2.102 78.533 1.00 0.00 N ATOM 1065 CA ILE A 69 15.455 -2.386 79.881 1.00 0.00 C ATOM 1066 C ILE A 69 15.072 -3.773 80.365 1.00 0.00 C ATOM 1067 O ILE A 69 14.025 -4.312 80.057 1.00 0.00 O ATOM 1068 CB ILE A 69 14.939 -1.341 80.870 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.128 -0.646 81.539 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.059 -2.012 81.940 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.967 -1.661 82.324 1.00 0.00 C ATOM 0 H ILE A 69 14.141 -2.690 78.226 1.00 0.00 H new ATOM 0 HA ILE A 69 16.542 -2.343 79.819 1.00 0.00 H new ATOM 0 HB ILE A 69 14.339 -0.605 80.334 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.746 -0.161 80.784 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.771 0.136 82.209 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.697 -1.258 82.639 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.210 -2.499 81.460 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.646 -2.755 82.480 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.808 -1.152 82.794 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.350 -2.127 83.092 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.340 -2.427 81.645 1.00 0.00 H new ATOM 1083 N THR A 70 15.930 -4.310 81.180 1.00 0.00 N ATOM 1084 CA THR A 70 15.693 -5.628 81.792 1.00 0.00 C ATOM 1085 C THR A 70 15.242 -5.351 83.249 1.00 0.00 C ATOM 1086 O THR A 70 15.621 -4.346 83.816 1.00 0.00 O ATOM 1087 CB THR A 70 16.995 -6.426 81.705 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.017 -7.418 82.713 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.182 -5.466 81.852 1.00 0.00 C ATOM 0 H THR A 70 16.810 -3.871 81.451 1.00 0.00 H new ATOM 0 HA THR A 70 14.923 -6.217 81.293 1.00 0.00 H new ATOM 0 HB THR A 70 17.064 -6.925 80.738 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.281 -8.277 82.321 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.114 -6.028 81.791 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.152 -4.725 81.053 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.125 -4.962 82.817 1.00 0.00 H new ATOM 1097 N PRO A 71 14.382 -6.174 83.794 1.00 0.00 N ATOM 1098 CA PRO A 71 13.818 -5.926 85.141 1.00 0.00 C ATOM 1099 C PRO A 71 14.852 -5.968 86.291 1.00 0.00 C ATOM 1100 O PRO A 71 14.530 -5.573 87.392 1.00 0.00 O ATOM 1101 CB PRO A 71 12.748 -7.019 85.308 1.00 0.00 C ATOM 1102 CG PRO A 71 12.600 -7.702 83.930 1.00 0.00 C ATOM 1103 CD PRO A 71 13.882 -7.397 83.155 1.00 0.00 C ATOM 0 HA PRO A 71 13.422 -4.913 85.205 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.046 -7.741 86.069 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.800 -6.588 85.631 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.461 -8.777 84.043 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.727 -7.322 83.400 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.601 -8.213 83.230 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.684 -7.244 82.094 1.00 0.00 H new ATOM 1111 N LEU A 72 16.074 -6.416 86.102 1.00 0.00 N ATOM 1112 CA LEU A 72 16.986 -6.410 87.282 1.00 0.00 C ATOM 1113 C LEU A 72 17.074 -4.977 87.783 1.00 0.00 C ATOM 1114 O LEU A 72 17.089 -4.731 88.973 1.00 0.00 O ATOM 1115 CB LEU A 72 18.416 -6.936 86.984 1.00 0.00 C ATOM 1116 CG LEU A 72 18.492 -7.800 85.719 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.217 -8.644 85.532 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.722 -6.894 84.510 1.00 0.00 C ATOM 0 H LEU A 72 16.461 -6.768 85.226 1.00 0.00 H new ATOM 0 HA LEU A 72 16.569 -7.091 88.024 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.093 -6.088 86.878 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.766 -7.519 87.836 1.00 0.00 H new ATOM 0 HG LEU A 72 19.324 -8.497 85.820 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.307 -9.243 84.626 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.087 -9.302 86.391 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.353 -7.984 85.447 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.777 -7.501 83.606 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.897 -6.187 84.423 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.656 -6.347 84.638 1.00 0.00 H new ATOM 1130 N LEU A 73 17.113 -4.021 86.889 1.00 0.00 N ATOM 1131 CA LEU A 73 17.184 -2.604 87.340 1.00 0.00 C ATOM 1132 C LEU A 73 15.855 -2.231 87.992 1.00 0.00 C ATOM 1133 O LEU A 73 15.775 -1.323 88.802 1.00 0.00 O ATOM 1134 CB LEU A 73 17.468 -1.666 86.158 1.00 0.00 C ATOM 1135 CG LEU A 73 18.841 -2.000 85.545 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.693 -3.102 84.487 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.435 -0.748 84.885 1.00 0.00 C ATOM 0 H LEU A 73 17.099 -4.161 85.879 1.00 0.00 H new ATOM 0 HA LEU A 73 17.998 -2.497 88.057 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.688 -1.770 85.404 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.452 -0.629 86.493 1.00 0.00 H new ATOM 0 HG LEU A 73 19.502 -2.346 86.339 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.670 -3.330 84.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.281 -3.998 84.951 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.023 -2.761 83.698 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.406 -0.990 84.453 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.765 -0.399 84.099 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.556 0.035 85.633 1.00 0.00 H new ATOM 1149 N SER A 74 14.806 -2.925 87.657 1.00 0.00 N ATOM 1150 CA SER A 74 13.492 -2.612 88.278 1.00 0.00 C ATOM 1151 C SER A 74 13.611 -2.762 89.800 1.00 0.00 C ATOM 1152 O SER A 74 13.194 -1.907 90.562 1.00 0.00 O ATOM 1153 CB SER A 74 12.429 -3.568 87.728 1.00 0.00 C ATOM 1154 OG SER A 74 11.146 -3.172 88.195 1.00 0.00 O ATOM 0 H SER A 74 14.801 -3.691 86.984 1.00 0.00 H new ATOM 0 HA SER A 74 13.199 -1.589 88.042 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.449 -3.562 86.638 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.644 -4.589 88.045 1.00 0.00 H new ATOM 0 HG SER A 74 10.502 -3.217 87.458 1.00 0.00 H new ATOM 1160 N ALA A 75 14.187 -3.839 90.246 1.00 0.00 N ATOM 1161 CA ALA A 75 14.347 -4.052 91.714 1.00 0.00 C ATOM 1162 C ALA A 75 15.413 -3.100 92.264 1.00 0.00 C ATOM 1163 O ALA A 75 15.320 -2.632 93.379 1.00 0.00 O ATOM 1164 CB ALA A 75 14.769 -5.496 91.974 1.00 0.00 C ATOM 0 H ALA A 75 14.556 -4.586 89.658 1.00 0.00 H new ATOM 0 HA ALA A 75 13.398 -3.853 92.212 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.886 -5.653 93.046 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.006 -6.173 91.589 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.716 -5.694 91.472 1.00 0.00 H new ATOM 1170 N VAL A 76 16.428 -2.822 91.492 1.00 0.00 N ATOM 1171 CA VAL A 76 17.507 -1.914 91.970 1.00 0.00 C ATOM 1172 C VAL A 76 16.889 -0.712 92.710 1.00 0.00 C ATOM 1173 O VAL A 76 17.114 -0.526 93.891 1.00 0.00 O ATOM 1174 CB VAL A 76 18.334 -1.466 90.755 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.240 -0.290 91.122 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.194 -2.652 90.284 1.00 0.00 C ATOM 0 H VAL A 76 16.556 -3.186 90.548 1.00 0.00 H new ATOM 0 HA VAL A 76 18.161 -2.429 92.674 1.00 0.00 H new ATOM 0 HB VAL A 76 17.661 -1.144 89.960 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.817 0.012 90.248 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.630 0.547 91.461 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.920 -0.590 91.920 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.788 -2.351 89.421 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.858 -2.963 91.091 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.546 -3.483 90.006 1.00 0.00 H new ATOM 1186 N TYR A 77 16.112 0.097 92.036 1.00 0.00 N ATOM 1187 CA TYR A 77 15.477 1.272 92.710 1.00 0.00 C ATOM 1188 C TYR A 77 14.275 0.802 93.538 1.00 0.00 C ATOM 1189 O TYR A 77 13.239 1.436 93.551 1.00 0.00 O ATOM 1190 CB TYR A 77 14.998 2.264 91.644 1.00 0.00 C ATOM 1191 CG TYR A 77 15.867 2.136 90.415 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.106 2.783 90.358 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.428 1.368 89.332 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.906 2.657 89.214 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.227 1.242 88.190 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.466 1.889 88.129 1.00 0.00 C ATOM 1197 OH TYR A 77 18.258 1.764 87.003 1.00 0.00 O ATOM 0 H TYR A 77 15.889 -0.005 91.046 1.00 0.00 H new ATOM 0 HA TYR A 77 16.203 1.753 93.365 1.00 0.00 H new ATOM 0 HB2 TYR A 77 13.957 2.067 91.389 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.044 3.282 92.031 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.445 3.378 91.193 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.470 0.871 89.377 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.864 3.153 89.169 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.887 0.646 87.356 1.00 0.00 H new ATOM 0 HH TYR A 77 17.695 1.802 86.201 1.00 0.00 H new ATOM 1207 N GLU A 78 14.397 -0.308 94.220 1.00 0.00 N ATOM 1208 CA GLU A 78 13.251 -0.817 95.032 1.00 0.00 C ATOM 1209 C GLU A 78 13.689 -1.059 96.475 1.00 0.00 C ATOM 1210 O GLU A 78 12.882 -1.049 97.383 1.00 0.00 O ATOM 1211 CB GLU A 78 12.750 -2.139 94.440 1.00 0.00 C ATOM 1212 CG GLU A 78 11.320 -2.402 94.917 1.00 0.00 C ATOM 1213 CD GLU A 78 10.379 -1.395 94.256 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.486 -1.217 93.054 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.575 -0.815 94.964 1.00 0.00 O ATOM 0 H GLU A 78 15.239 -0.883 94.250 1.00 0.00 H new ATOM 0 HA GLU A 78 12.455 -0.072 95.016 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.780 -2.097 93.351 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.403 -2.957 94.745 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.020 -3.419 94.664 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.263 -2.314 96.002 1.00 0.00 H new ATOM 1222 N GLY A 79 14.950 -1.300 96.694 1.00 0.00 N ATOM 1223 CA GLY A 79 15.420 -1.571 98.078 1.00 0.00 C ATOM 1224 C GLY A 79 15.268 -3.062 98.338 1.00 0.00 C ATOM 1225 O GLY A 79 15.679 -3.580 99.358 1.00 0.00 O ATOM 0 H GLY A 79 15.674 -1.321 95.976 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.460 -1.267 98.194 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.838 -0.996 98.798 1.00 0.00 H new ATOM 1229 N HIS A 80 14.697 -3.763 97.397 1.00 0.00 N ATOM 1230 CA HIS A 80 14.530 -5.225 97.554 1.00 0.00 C ATOM 1231 C HIS A 80 15.862 -5.869 97.216 1.00 0.00 C ATOM 1232 O HIS A 80 16.482 -6.514 98.036 1.00 0.00 O ATOM 1233 CB HIS A 80 13.453 -5.714 96.580 1.00 0.00 C ATOM 1234 CG HIS A 80 12.104 -5.658 97.239 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.256 -6.753 97.292 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.433 -4.636 97.865 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.133 -6.369 97.921 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.186 -5.086 98.292 1.00 0.00 N ATOM 0 H HIS A 80 14.339 -3.378 96.523 1.00 0.00 H new ATOM 0 HA HIS A 80 14.227 -5.482 98.569 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.455 -5.096 95.682 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.671 -6.734 96.265 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.814 -3.635 98.005 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.290 -7.018 98.105 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.468 -4.552 98.782 1.00 0.00 H new ATOM 1246 N VAL A 81 16.301 -5.672 96.007 1.00 0.00 N ATOM 1247 CA VAL A 81 17.597 -6.244 95.560 1.00 0.00 C ATOM 1248 C VAL A 81 17.823 -7.628 96.165 1.00 0.00 C ATOM 1249 O VAL A 81 18.900 -8.190 96.084 1.00 0.00 O ATOM 1250 CB VAL A 81 18.736 -5.273 95.884 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.857 -4.257 94.736 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.434 -4.517 97.188 1.00 0.00 C ATOM 0 H VAL A 81 15.807 -5.129 95.298 1.00 0.00 H new ATOM 0 HA VAL A 81 17.574 -6.378 94.479 1.00 0.00 H new ATOM 0 HB VAL A 81 19.664 -5.832 96.002 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.665 -3.558 94.952 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.072 -4.783 93.806 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.920 -3.709 94.635 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.251 -3.830 97.408 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.507 -3.955 97.076 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.330 -5.230 98.006 1.00 0.00 H new ATOM 1262 N SER A 82 16.796 -8.218 96.697 1.00 0.00 N ATOM 1263 CA SER A 82 16.928 -9.598 97.207 1.00 0.00 C ATOM 1264 C SER A 82 16.807 -10.479 95.971 1.00 0.00 C ATOM 1265 O SER A 82 17.220 -11.622 95.941 1.00 0.00 O ATOM 1266 CB SER A 82 15.801 -9.905 98.200 1.00 0.00 C ATOM 1267 OG SER A 82 16.312 -9.854 99.526 1.00 0.00 O ATOM 0 H SER A 82 15.871 -7.801 96.800 1.00 0.00 H new ATOM 0 HA SER A 82 17.867 -9.759 97.736 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.992 -9.184 98.083 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.382 -10.891 97.998 1.00 0.00 H new ATOM 0 HG SER A 82 15.592 -10.048 100.162 1.00 0.00 H new ATOM 1273 N CYS A 83 16.237 -9.900 94.944 1.00 0.00 N ATOM 1274 CA CYS A 83 16.050 -10.602 93.651 1.00 0.00 C ATOM 1275 C CYS A 83 17.327 -10.459 92.834 1.00 0.00 C ATOM 1276 O CYS A 83 17.956 -11.436 92.489 1.00 0.00 O ATOM 1277 CB CYS A 83 14.878 -9.957 92.903 1.00 0.00 C ATOM 1278 SG CYS A 83 14.758 -8.215 93.379 1.00 0.00 S ATOM 0 H CYS A 83 15.886 -8.942 94.956 1.00 0.00 H new ATOM 0 HA CYS A 83 15.836 -11.658 93.814 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.026 -10.043 91.827 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.949 -10.476 93.140 1.00 0.00 H new ATOM 0 HG CYS A 83 13.567 -7.771 93.105 1.00 0.00 H new ATOM 1284 N VAL A 84 17.728 -9.244 92.534 1.00 0.00 N ATOM 1285 CA VAL A 84 18.982 -9.049 91.749 1.00 0.00 C ATOM 1286 C VAL A 84 19.980 -10.119 92.168 1.00 0.00 C ATOM 1287 O VAL A 84 20.688 -10.679 91.357 1.00 0.00 O ATOM 1288 CB VAL A 84 19.594 -7.682 92.051 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.638 -6.567 91.631 1.00 0.00 C ATOM 1290 CG2 VAL A 84 19.874 -7.581 93.545 1.00 0.00 C ATOM 0 H VAL A 84 17.242 -8.387 92.799 1.00 0.00 H new ATOM 0 HA VAL A 84 18.752 -9.114 90.685 1.00 0.00 H new ATOM 0 HB VAL A 84 20.523 -7.573 91.491 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.088 -5.599 91.852 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.442 -6.640 90.561 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.701 -6.665 92.179 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.311 -6.608 93.768 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.942 -7.696 94.098 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.570 -8.367 93.839 1.00 0.00 H new ATOM 1300 N LYS A 85 20.030 -10.404 93.438 1.00 0.00 N ATOM 1301 CA LYS A 85 20.969 -11.435 93.938 1.00 0.00 C ATOM 1302 C LYS A 85 20.579 -12.818 93.379 1.00 0.00 C ATOM 1303 O LYS A 85 21.307 -13.413 92.599 1.00 0.00 O ATOM 1304 CB LYS A 85 20.920 -11.432 95.469 1.00 0.00 C ATOM 1305 CG LYS A 85 21.698 -10.216 96.014 1.00 0.00 C ATOM 1306 CD LYS A 85 22.415 -10.592 97.315 1.00 0.00 C ATOM 1307 CE LYS A 85 23.756 -11.254 96.993 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.213 -12.026 98.180 1.00 0.00 N ATOM 0 H LYS A 85 19.454 -9.961 94.154 1.00 0.00 H new ATOM 0 HA LYS A 85 21.984 -11.215 93.607 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.885 -11.395 95.809 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.351 -12.355 95.858 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.423 -9.877 95.274 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.014 -9.387 96.193 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.575 -9.702 97.924 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.795 -11.271 97.900 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.653 -11.914 96.132 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.495 -10.498 96.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.125 -12.480 97.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.325 -11.383 98.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.509 -12.756 98.412 1.00 0.00 H new ATOM 1322 N LEU A 86 19.438 -13.330 93.754 1.00 0.00 N ATOM 1323 CA LEU A 86 19.001 -14.657 93.236 1.00 0.00 C ATOM 1324 C LEU A 86 18.813 -14.555 91.712 1.00 0.00 C ATOM 1325 O LEU A 86 18.566 -15.527 91.024 1.00 0.00 O ATOM 1326 CB LEU A 86 17.705 -15.054 93.995 1.00 0.00 C ATOM 1327 CG LEU A 86 16.508 -15.348 93.071 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.206 -14.159 92.137 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.769 -16.624 92.252 1.00 0.00 C ATOM 0 H LEU A 86 18.787 -12.883 94.400 1.00 0.00 H new ATOM 0 HA LEU A 86 19.741 -15.439 93.408 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.907 -15.935 94.604 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.435 -14.249 94.679 1.00 0.00 H new ATOM 0 HG LEU A 86 15.631 -15.503 93.700 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.356 -14.403 91.500 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.971 -13.278 92.734 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.078 -13.954 91.515 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.916 -16.821 91.603 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.664 -16.490 91.644 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.913 -17.467 92.928 1.00 0.00 H new ATOM 1341 N LEU A 87 18.936 -13.372 91.174 1.00 0.00 N ATOM 1342 CA LEU A 87 18.754 -13.199 89.704 1.00 0.00 C ATOM 1343 C LEU A 87 20.027 -13.567 88.928 1.00 0.00 C ATOM 1344 O LEU A 87 20.016 -14.489 88.136 1.00 0.00 O ATOM 1345 CB LEU A 87 18.375 -11.742 89.400 1.00 0.00 C ATOM 1346 CG LEU A 87 17.011 -11.693 88.709 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.482 -10.256 88.711 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.143 -12.183 87.267 1.00 0.00 C ATOM 0 H LEU A 87 19.154 -12.518 91.688 1.00 0.00 H new ATOM 0 HA LEU A 87 17.957 -13.870 89.384 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.346 -11.164 90.324 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.132 -11.285 88.763 1.00 0.00 H new ATOM 0 HG LEU A 87 16.316 -12.337 89.248 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.510 -10.225 88.218 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.379 -9.908 89.739 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.180 -9.611 88.178 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.169 -12.146 86.780 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.843 -11.544 86.728 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.512 -13.209 87.264 1.00 0.00 H new ATOM 1360 N LEU A 88 21.110 -12.842 89.099 1.00 0.00 N ATOM 1361 CA LEU A 88 22.319 -13.181 88.295 1.00 0.00 C ATOM 1362 C LEU A 88 22.663 -14.650 88.475 1.00 0.00 C ATOM 1363 O LEU A 88 23.430 -15.212 87.717 1.00 0.00 O ATOM 1364 CB LEU A 88 23.526 -12.274 88.616 1.00 0.00 C ATOM 1365 CG LEU A 88 24.220 -12.640 89.939 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.185 -12.815 91.045 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.038 -13.932 89.776 1.00 0.00 C ATOM 0 H LEU A 88 21.205 -12.055 89.741 1.00 0.00 H new ATOM 0 HA LEU A 88 22.080 -12.997 87.248 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.249 -12.340 87.803 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.192 -11.237 88.662 1.00 0.00 H new ATOM 0 HG LEU A 88 24.896 -11.829 90.211 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.688 -13.074 91.977 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.633 -11.884 91.177 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.493 -13.612 90.773 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.523 -14.177 90.721 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.376 -14.748 89.485 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.796 -13.788 89.006 1.00 0.00 H new ATOM 1379 N SER A 89 22.073 -15.295 89.440 1.00 0.00 N ATOM 1380 CA SER A 89 22.343 -16.744 89.608 1.00 0.00 C ATOM 1381 C SER A 89 21.944 -17.408 88.288 1.00 0.00 C ATOM 1382 O SER A 89 22.341 -18.513 87.977 1.00 0.00 O ATOM 1383 CB SER A 89 21.504 -17.307 90.762 1.00 0.00 C ATOM 1384 OG SER A 89 22.215 -17.148 91.985 1.00 0.00 O ATOM 0 H SER A 89 21.423 -14.886 90.112 1.00 0.00 H new ATOM 0 HA SER A 89 23.391 -16.930 89.844 1.00 0.00 H new ATOM 0 HB2 SER A 89 20.546 -16.790 90.816 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.288 -18.361 90.589 1.00 0.00 H new ATOM 0 HG SER A 89 21.679 -17.506 92.724 1.00 0.00 H new ATOM 1390 N LYS A 90 21.164 -16.698 87.507 1.00 0.00 N ATOM 1391 CA LYS A 90 20.718 -17.204 86.181 1.00 0.00 C ATOM 1392 C LYS A 90 21.511 -16.477 85.096 1.00 0.00 C ATOM 1393 O LYS A 90 21.523 -16.870 83.948 1.00 0.00 O ATOM 1394 CB LYS A 90 19.229 -16.896 86.006 1.00 0.00 C ATOM 1395 CG LYS A 90 18.409 -17.974 86.708 1.00 0.00 C ATOM 1396 CD LYS A 90 16.966 -17.492 86.923 1.00 0.00 C ATOM 1397 CE LYS A 90 16.827 -16.881 88.320 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.022 -17.936 89.357 1.00 0.00 N ATOM 0 H LYS A 90 20.814 -15.770 87.744 1.00 0.00 H new ATOM 0 HA LYS A 90 20.881 -18.279 86.110 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.996 -15.916 86.423 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.975 -16.860 84.947 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.410 -18.887 86.112 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.864 -18.220 87.667 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.702 -16.754 86.165 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.273 -18.326 86.810 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.562 -16.087 88.454 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.843 -16.427 88.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.158 -18.025 89.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.225 -18.845 88.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.819 -17.675 89.972 1.00 0.00 H new ATOM 1412 N GLY A 91 22.171 -15.412 85.468 1.00 0.00 N ATOM 1413 CA GLY A 91 22.975 -14.625 84.488 1.00 0.00 C ATOM 1414 C GLY A 91 22.522 -13.157 84.517 1.00 0.00 C ATOM 1415 O GLY A 91 23.007 -12.364 85.296 1.00 0.00 O ATOM 0 H GLY A 91 22.187 -15.050 86.421 1.00 0.00 H new ATOM 0 HA2 GLY A 91 24.035 -14.695 84.732 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.851 -15.036 83.486 1.00 0.00 H new ATOM 1419 N ALA A 92 21.579 -12.801 83.686 1.00 0.00 N ATOM 1420 CA ALA A 92 21.061 -11.397 83.670 1.00 0.00 C ATOM 1421 C ALA A 92 22.192 -10.368 83.645 1.00 0.00 C ATOM 1422 O ALA A 92 21.939 -9.182 83.713 1.00 0.00 O ATOM 1423 CB ALA A 92 20.215 -11.168 84.928 1.00 0.00 C ATOM 0 H ALA A 92 21.140 -13.427 83.011 1.00 0.00 H new ATOM 0 HA ALA A 92 20.468 -11.268 82.765 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.832 -10.148 84.928 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.381 -11.869 84.938 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.831 -11.324 85.814 1.00 0.00 H new ATOM 1429 N ASP A 93 23.427 -10.781 83.545 1.00 0.00 N ATOM 1430 CA ASP A 93 24.531 -9.774 83.526 1.00 0.00 C ATOM 1431 C ASP A 93 24.164 -8.610 84.461 1.00 0.00 C ATOM 1432 O ASP A 93 23.818 -8.814 85.608 1.00 0.00 O ATOM 1433 CB ASP A 93 24.696 -9.252 82.100 1.00 0.00 C ATOM 1434 CG ASP A 93 23.432 -8.496 81.691 1.00 0.00 C ATOM 1435 OD1 ASP A 93 22.453 -9.150 81.370 1.00 0.00 O ATOM 1436 OD2 ASP A 93 23.466 -7.276 81.698 1.00 0.00 O ATOM 0 H ASP A 93 23.718 -11.756 83.477 1.00 0.00 H new ATOM 0 HA ASP A 93 25.463 -10.229 83.861 1.00 0.00 H new ATOM 0 HB2 ASP A 93 25.563 -8.594 82.039 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.876 -10.081 81.415 1.00 0.00 H new ATOM 1441 N LYS A 94 24.212 -7.393 83.981 1.00 0.00 N ATOM 1442 CA LYS A 94 23.833 -6.243 84.856 1.00 0.00 C ATOM 1443 C LYS A 94 23.542 -4.991 84.005 1.00 0.00 C ATOM 1444 O LYS A 94 22.810 -4.113 84.419 1.00 0.00 O ATOM 1445 CB LYS A 94 24.951 -5.967 85.873 1.00 0.00 C ATOM 1446 CG LYS A 94 26.203 -5.430 85.176 1.00 0.00 C ATOM 1447 CD LYS A 94 26.973 -6.592 84.514 1.00 0.00 C ATOM 1448 CE LYS A 94 27.080 -6.346 83.009 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.031 -7.325 82.408 1.00 0.00 N ATOM 0 H LYS A 94 24.494 -7.148 83.032 1.00 0.00 H new ATOM 0 HA LYS A 94 22.924 -6.498 85.401 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.605 -5.246 86.613 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.194 -6.884 86.410 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.923 -4.692 84.424 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.843 -4.923 85.898 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.968 -6.677 84.950 1.00 0.00 H new ATOM 0 HD3 LYS A 94 26.460 -7.535 84.703 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.099 -6.444 82.544 1.00 0.00 H new ATOM 0 HE3 LYS A 94 27.422 -5.328 82.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 28.102 -7.156 81.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.968 -7.211 82.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 27.686 -8.292 82.576 1.00 0.00 H new ATOM 1463 N THR A 95 24.100 -4.906 82.823 1.00 0.00 N ATOM 1464 CA THR A 95 23.849 -3.716 81.949 1.00 0.00 C ATOM 1465 C THR A 95 23.672 -4.187 80.504 1.00 0.00 C ATOM 1466 O THR A 95 24.172 -3.584 79.578 1.00 0.00 O ATOM 1467 CB THR A 95 25.051 -2.763 82.024 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.575 -2.760 83.342 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.619 -1.343 81.651 1.00 0.00 C ATOM 0 H THR A 95 24.720 -5.611 82.424 1.00 0.00 H new ATOM 0 HA THR A 95 22.951 -3.197 82.285 1.00 0.00 H new ATOM 0 HB THR A 95 25.815 -3.103 81.325 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.554 -2.742 83.305 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.478 -0.675 81.707 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.221 -1.338 80.636 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.849 -1.003 82.344 1.00 0.00 H new ATOM 1477 N VAL A 96 22.973 -5.269 80.305 1.00 0.00 N ATOM 1478 CA VAL A 96 22.787 -5.788 78.925 1.00 0.00 C ATOM 1479 C VAL A 96 21.713 -4.974 78.191 1.00 0.00 C ATOM 1480 O VAL A 96 21.461 -5.185 77.021 1.00 0.00 O ATOM 1481 CB VAL A 96 22.374 -7.271 79.005 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.381 -7.612 77.891 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.615 -8.157 78.854 1.00 0.00 C ATOM 0 H VAL A 96 22.523 -5.815 81.039 1.00 0.00 H new ATOM 0 HA VAL A 96 23.720 -5.697 78.369 1.00 0.00 H new ATOM 0 HB VAL A 96 21.902 -7.448 79.971 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.100 -8.663 77.963 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.491 -6.991 77.994 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.843 -7.425 76.922 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.323 -9.206 78.911 1.00 0.00 H new ATOM 0 HG22 VAL A 96 24.085 -7.963 77.890 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.321 -7.934 79.654 1.00 0.00 H new ATOM 1493 N LYS A 97 21.076 -4.044 78.852 1.00 0.00 N ATOM 1494 CA LYS A 97 20.028 -3.248 78.146 1.00 0.00 C ATOM 1495 C LYS A 97 19.767 -1.903 78.844 1.00 0.00 C ATOM 1496 O LYS A 97 18.943 -1.130 78.396 1.00 0.00 O ATOM 1497 CB LYS A 97 18.727 -4.069 78.081 1.00 0.00 C ATOM 1498 CG LYS A 97 18.459 -4.498 76.635 1.00 0.00 C ATOM 1499 CD LYS A 97 17.826 -3.335 75.870 1.00 0.00 C ATOM 1500 CE LYS A 97 17.859 -3.636 74.371 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.820 -2.828 73.674 1.00 0.00 N ATOM 0 H LYS A 97 21.231 -3.803 79.831 1.00 0.00 H new ATOM 0 HA LYS A 97 20.384 -3.030 77.139 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.807 -4.947 78.722 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.892 -3.476 78.455 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.390 -4.800 76.155 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.796 -5.363 76.617 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.798 -3.185 76.200 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.366 -2.411 76.079 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.844 -3.406 73.966 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.683 -4.698 74.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.845 -3.035 72.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.882 -3.068 74.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.007 -1.816 73.826 1.00 0.00 H new ATOM 1515 N GLY A 98 20.463 -1.591 79.904 1.00 0.00 N ATOM 1516 CA GLY A 98 20.234 -0.274 80.565 1.00 0.00 C ATOM 1517 C GLY A 98 20.836 0.809 79.668 1.00 0.00 C ATOM 1518 O GLY A 98 21.409 0.498 78.642 1.00 0.00 O ATOM 0 H GLY A 98 21.172 -2.183 80.337 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.168 -0.100 80.711 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.698 -0.255 81.551 1.00 0.00 H new ATOM 1522 N PRO A 99 20.717 2.048 80.072 1.00 0.00 N ATOM 1523 CA PRO A 99 21.284 3.156 79.289 1.00 0.00 C ATOM 1524 C PRO A 99 22.775 2.922 79.113 1.00 0.00 C ATOM 1525 O PRO A 99 23.214 2.363 78.130 1.00 0.00 O ATOM 1526 CB PRO A 99 21.006 4.418 80.124 1.00 0.00 C ATOM 1527 CG PRO A 99 20.330 3.958 81.443 1.00 0.00 C ATOM 1528 CD PRO A 99 20.031 2.448 81.314 1.00 0.00 C ATOM 0 HA PRO A 99 20.853 3.247 78.292 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.933 4.952 80.333 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.358 5.105 79.579 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.984 4.147 82.294 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.410 4.517 81.617 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.407 1.893 82.173 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.959 2.258 81.256 1.00 0.00 H new ATOM 1536 N ASP A 100 23.549 3.327 80.070 1.00 0.00 N ATOM 1537 CA ASP A 100 25.012 3.120 79.988 1.00 0.00 C ATOM 1538 C ASP A 100 25.467 2.440 81.275 1.00 0.00 C ATOM 1539 O ASP A 100 24.794 1.576 81.810 1.00 0.00 O ATOM 1540 CB ASP A 100 25.714 4.476 79.828 1.00 0.00 C ATOM 1541 CG ASP A 100 27.153 4.258 79.349 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.336 3.484 78.425 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.046 4.872 79.911 1.00 0.00 O ATOM 0 H ASP A 100 23.227 3.798 80.915 1.00 0.00 H new ATOM 0 HA ASP A 100 25.264 2.497 79.130 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.172 5.095 79.113 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.713 5.011 80.778 1.00 0.00 H new ATOM 1548 N GLY A 101 26.593 2.825 81.777 1.00 0.00 N ATOM 1549 CA GLY A 101 27.098 2.208 83.033 1.00 0.00 C ATOM 1550 C GLY A 101 26.063 2.385 84.150 1.00 0.00 C ATOM 1551 O GLY A 101 26.284 1.993 85.285 1.00 0.00 O ATOM 0 H GLY A 101 27.194 3.544 81.374 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.298 1.148 82.874 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.042 2.670 83.322 1.00 0.00 H new ATOM 1555 N LEU A 102 24.924 2.956 83.842 1.00 0.00 N ATOM 1556 CA LEU A 102 23.897 3.143 84.896 1.00 0.00 C ATOM 1557 C LEU A 102 23.734 1.854 85.645 1.00 0.00 C ATOM 1558 O LEU A 102 24.118 1.756 86.787 1.00 0.00 O ATOM 1559 CB LEU A 102 22.549 3.545 84.290 1.00 0.00 C ATOM 1560 CG LEU A 102 21.539 3.939 85.391 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.203 4.296 84.753 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.305 2.782 86.365 1.00 0.00 C ATOM 0 H LEU A 102 24.669 3.295 82.915 1.00 0.00 H new ATOM 0 HA LEU A 102 24.224 3.940 85.564 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.690 4.381 83.605 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.149 2.717 83.704 1.00 0.00 H new ATOM 0 HG LEU A 102 21.951 4.790 85.933 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.491 4.574 85.530 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.339 5.134 84.069 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.822 3.436 84.202 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.590 3.088 87.129 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.910 1.923 85.822 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.248 2.509 86.839 1.00 0.00 H new ATOM 1574 N THR A 103 23.131 0.871 85.032 1.00 0.00 N ATOM 1575 CA THR A 103 22.889 -0.394 85.762 1.00 0.00 C ATOM 1576 C THR A 103 22.901 -0.091 87.266 1.00 0.00 C ATOM 1577 O THR A 103 21.998 0.538 87.802 1.00 0.00 O ATOM 1578 CB THR A 103 23.975 -1.420 85.430 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.057 -2.367 86.484 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.324 -0.727 85.264 1.00 0.00 C ATOM 0 H THR A 103 22.801 0.893 84.067 1.00 0.00 H new ATOM 0 HA THR A 103 21.926 -0.811 85.467 1.00 0.00 H new ATOM 0 HB THR A 103 23.720 -1.922 84.497 1.00 0.00 H new ATOM 0 HG1 THR A 103 23.706 -3.229 86.177 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.087 -1.468 85.028 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.262 0.000 84.455 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.588 -0.217 86.191 1.00 0.00 H new ATOM 1588 N ALA A 104 23.917 -0.514 87.949 1.00 0.00 N ATOM 1589 CA ALA A 104 23.994 -0.241 89.417 1.00 0.00 C ATOM 1590 C ALA A 104 24.796 1.047 89.697 1.00 0.00 C ATOM 1591 O ALA A 104 24.598 1.703 90.711 1.00 0.00 O ATOM 1592 CB ALA A 104 24.671 -1.420 90.114 1.00 0.00 C ATOM 0 H ALA A 104 24.702 -1.038 87.562 1.00 0.00 H new ATOM 0 HA ALA A 104 22.982 -0.108 89.799 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.729 -1.225 91.185 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.091 -2.327 89.941 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.676 -1.551 89.714 1.00 0.00 H new ATOM 1598 N LEU A 105 25.732 1.392 88.838 1.00 0.00 N ATOM 1599 CA LEU A 105 26.587 2.601 89.073 1.00 0.00 C ATOM 1600 C LEU A 105 25.759 3.884 89.270 1.00 0.00 C ATOM 1601 O LEU A 105 25.669 4.409 90.362 1.00 0.00 O ATOM 1602 CB LEU A 105 27.500 2.810 87.862 1.00 0.00 C ATOM 1603 CG LEU A 105 28.143 1.490 87.428 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.152 1.781 86.318 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.862 0.838 88.611 1.00 0.00 C ATOM 0 H LEU A 105 25.940 0.883 87.979 1.00 0.00 H new ATOM 0 HA LEU A 105 27.156 2.419 89.985 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.925 3.228 87.036 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.277 3.534 88.108 1.00 0.00 H new ATOM 0 HG LEU A 105 27.371 0.809 87.069 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.619 0.850 85.998 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.640 2.240 85.472 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.918 2.461 86.691 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.315 -0.100 88.289 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.638 1.509 88.979 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.145 0.640 89.408 1.00 0.00 H new ATOM 1617 N GLU A 106 25.207 4.421 88.210 1.00 0.00 N ATOM 1618 CA GLU A 106 24.449 5.696 88.314 1.00 0.00 C ATOM 1619 C GLU A 106 23.055 5.430 88.879 1.00 0.00 C ATOM 1620 O GLU A 106 22.213 6.300 88.902 1.00 0.00 O ATOM 1621 CB GLU A 106 24.332 6.314 86.910 1.00 0.00 C ATOM 1622 CG GLU A 106 25.684 6.232 86.184 1.00 0.00 C ATOM 1623 CD GLU A 106 26.476 7.515 86.439 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.817 7.757 87.585 1.00 0.00 O ATOM 1625 OE2 GLU A 106 26.719 8.238 85.488 1.00 0.00 O ATOM 0 H GLU A 106 25.252 4.024 87.272 1.00 0.00 H new ATOM 0 HA GLU A 106 24.971 6.382 88.981 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.569 5.789 86.335 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.014 7.354 86.987 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.247 5.368 86.537 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.527 6.095 85.114 1.00 0.00 H new ATOM 1632 N ALA A 107 22.806 4.231 89.337 1.00 0.00 N ATOM 1633 CA ALA A 107 21.462 3.919 89.898 1.00 0.00 C ATOM 1634 C ALA A 107 21.314 4.412 91.341 1.00 0.00 C ATOM 1635 O ALA A 107 20.257 4.868 91.723 1.00 0.00 O ATOM 1636 CB ALA A 107 21.233 2.408 89.898 1.00 0.00 C ATOM 0 H ALA A 107 23.473 3.459 89.346 1.00 0.00 H new ATOM 0 HA ALA A 107 20.732 4.428 89.269 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.248 2.189 90.310 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.291 2.031 88.877 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.996 1.924 90.507 1.00 0.00 H new ATOM 1642 N THR A 108 22.311 4.270 92.180 1.00 0.00 N ATOM 1643 CA THR A 108 22.093 4.685 93.592 1.00 0.00 C ATOM 1644 C THR A 108 23.384 5.034 94.329 1.00 0.00 C ATOM 1645 O THR A 108 24.365 5.488 93.772 1.00 0.00 O ATOM 1646 CB THR A 108 21.489 3.491 94.312 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.181 3.848 95.655 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.519 2.354 94.298 1.00 0.00 C ATOM 0 H THR A 108 23.234 3.898 91.956 1.00 0.00 H new ATOM 0 HA THR A 108 21.461 5.573 93.584 1.00 0.00 H new ATOM 0 HB THR A 108 20.572 3.173 93.816 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.323 3.449 95.911 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.108 1.484 94.810 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.756 2.090 93.267 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.427 2.679 94.807 1.00 0.00 H new ATOM 1656 N ASP A 109 23.344 4.776 95.613 1.00 0.00 N ATOM 1657 CA ASP A 109 24.493 5.010 96.515 1.00 0.00 C ATOM 1658 C ASP A 109 24.499 3.893 97.568 1.00 0.00 C ATOM 1659 O ASP A 109 25.473 3.694 98.266 1.00 0.00 O ATOM 1660 CB ASP A 109 24.359 6.372 97.202 1.00 0.00 C ATOM 1661 CG ASP A 109 25.620 6.648 98.021 1.00 0.00 C ATOM 1662 OD1 ASP A 109 26.699 6.381 97.518 1.00 0.00 O ATOM 1663 OD2 ASP A 109 25.487 7.117 99.139 1.00 0.00 O ATOM 0 H ASP A 109 22.522 4.397 96.083 1.00 0.00 H new ATOM 0 HA ASP A 109 25.423 5.006 95.947 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.215 7.155 96.458 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.482 6.382 97.849 1.00 0.00 H new ATOM 1668 N ASN A 110 23.422 3.137 97.663 1.00 0.00 N ATOM 1669 CA ASN A 110 23.388 2.014 98.644 1.00 0.00 C ATOM 1670 C ASN A 110 24.231 0.884 98.050 1.00 0.00 C ATOM 1671 O ASN A 110 24.340 0.754 96.849 1.00 0.00 O ATOM 1672 CB ASN A 110 21.937 1.561 98.913 1.00 0.00 C ATOM 1673 CG ASN A 110 21.189 1.340 97.604 1.00 0.00 C ATOM 1674 OD1 ASN A 110 21.863 1.076 96.536 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 19.977 1.408 97.561 1.00 0.00 N flip ATOM 0 H ASN A 110 22.576 3.254 97.105 1.00 0.00 H new ATOM 0 HA ASN A 110 23.793 2.323 99.608 1.00 0.00 H new ATOM 0 HB2 ASN A 110 21.941 0.640 99.495 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.421 2.313 99.510 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.448 1.617 98.407 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.489 1.256 96.678 1.00 0.00 H new ATOM 1682 N GLN A 111 24.901 0.124 98.869 1.00 0.00 N ATOM 1683 CA GLN A 111 25.818 -0.926 98.328 1.00 0.00 C ATOM 1684 C GLN A 111 25.141 -2.297 98.092 1.00 0.00 C ATOM 1685 O GLN A 111 25.813 -3.271 97.812 1.00 0.00 O ATOM 1686 CB GLN A 111 26.992 -1.063 99.296 1.00 0.00 C ATOM 1687 CG GLN A 111 27.877 -2.248 98.907 1.00 0.00 C ATOM 1688 CD GLN A 111 29.282 -2.011 99.452 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.156 -1.564 98.737 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.533 -2.281 100.702 1.00 0.00 N ATOM 0 H GLN A 111 24.856 0.181 99.886 1.00 0.00 H new ATOM 0 HA GLN A 111 26.149 -0.605 97.340 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.581 -0.146 99.293 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.619 -1.199 100.311 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.467 -3.174 99.310 1.00 0.00 H new ATOM 0 HG3 GLN A 111 27.906 -2.358 97.823 1.00 0.00 H new ATOM 0 HE21 GLN A 111 28.797 -2.656 101.300 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.465 -2.117 101.082 1.00 0.00 H new ATOM 1699 N ALA A 112 23.840 -2.404 98.141 1.00 0.00 N ATOM 1700 CA ALA A 112 23.221 -3.737 97.850 1.00 0.00 C ATOM 1701 C ALA A 112 23.086 -3.824 96.335 1.00 0.00 C ATOM 1702 O ALA A 112 23.272 -4.852 95.700 1.00 0.00 O ATOM 1703 CB ALA A 112 21.842 -3.844 98.511 1.00 0.00 C ATOM 0 H ALA A 112 23.190 -1.650 98.363 1.00 0.00 H new ATOM 0 HA ALA A 112 23.833 -4.549 98.243 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.407 -4.818 98.289 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.946 -3.730 99.590 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.191 -3.060 98.124 1.00 0.00 H new ATOM 1709 N ILE A 113 22.824 -2.701 95.764 1.00 0.00 N ATOM 1710 CA ILE A 113 22.710 -2.578 94.298 1.00 0.00 C ATOM 1711 C ILE A 113 24.093 -2.766 93.707 1.00 0.00 C ATOM 1712 O ILE A 113 24.331 -3.609 92.862 1.00 0.00 O ATOM 1713 CB ILE A 113 22.254 -1.149 94.011 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.731 -1.056 94.041 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.777 -0.690 92.650 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.231 -1.045 95.489 1.00 0.00 C ATOM 0 H ILE A 113 22.678 -1.828 96.270 1.00 0.00 H new ATOM 0 HA ILE A 113 22.017 -3.309 93.881 1.00 0.00 H new ATOM 0 HB ILE A 113 22.659 -0.498 94.785 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.404 -0.151 93.529 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.297 -1.900 93.505 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.445 0.330 92.458 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.866 -0.723 92.649 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.393 -1.349 91.872 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.143 -0.978 95.498 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.542 -1.962 95.988 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.651 -0.186 96.013 1.00 0.00 H new ATOM 1728 N LYS A 114 25.002 -1.965 94.151 1.00 0.00 N ATOM 1729 CA LYS A 114 26.375 -2.055 93.638 1.00 0.00 C ATOM 1730 C LYS A 114 26.857 -3.499 93.758 1.00 0.00 C ATOM 1731 O LYS A 114 27.859 -3.879 93.184 1.00 0.00 O ATOM 1732 CB LYS A 114 27.248 -1.090 94.438 1.00 0.00 C ATOM 1733 CG LYS A 114 26.709 0.323 94.200 1.00 0.00 C ATOM 1734 CD LYS A 114 27.169 1.281 95.305 1.00 0.00 C ATOM 1735 CE LYS A 114 27.332 2.683 94.715 1.00 0.00 C ATOM 1736 NZ LYS A 114 28.750 2.881 94.310 1.00 0.00 N ATOM 0 H LYS A 114 24.848 -1.244 94.856 1.00 0.00 H new ATOM 0 HA LYS A 114 26.428 -1.776 92.586 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.220 -1.337 95.499 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.289 -1.162 94.121 1.00 0.00 H new ATOM 0 HG2 LYS A 114 27.051 0.688 93.232 1.00 0.00 H new ATOM 0 HG3 LYS A 114 25.620 0.299 94.165 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.441 1.297 96.116 1.00 0.00 H new ATOM 0 HD3 LYS A 114 28.113 0.940 95.730 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.675 2.807 93.854 1.00 0.00 H new ATOM 0 HE3 LYS A 114 27.042 3.435 95.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.867 3.833 93.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 29.366 2.779 95.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 29.010 2.170 93.597 1.00 0.00 H new ATOM 1750 N ALA A 115 26.120 -4.317 94.464 1.00 0.00 N ATOM 1751 CA ALA A 115 26.507 -5.743 94.575 1.00 0.00 C ATOM 1752 C ALA A 115 26.446 -6.332 93.179 1.00 0.00 C ATOM 1753 O ALA A 115 27.270 -7.136 92.794 1.00 0.00 O ATOM 1754 CB ALA A 115 25.529 -6.491 95.487 1.00 0.00 C ATOM 0 H ALA A 115 25.271 -4.055 94.965 1.00 0.00 H new ATOM 0 HA ALA A 115 27.506 -5.834 95.001 1.00 0.00 H new ATOM 0 HB1 ALA A 115 25.826 -7.537 95.559 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.541 -6.041 96.480 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.523 -6.427 95.072 1.00 0.00 H new ATOM 1760 N LEU A 116 25.482 -5.913 92.401 1.00 0.00 N ATOM 1761 CA LEU A 116 25.382 -6.437 91.011 1.00 0.00 C ATOM 1762 C LEU A 116 26.480 -5.807 90.148 1.00 0.00 C ATOM 1763 O LEU A 116 26.830 -6.327 89.106 1.00 0.00 O ATOM 1764 CB LEU A 116 24.008 -6.088 90.420 1.00 0.00 C ATOM 1765 CG LEU A 116 23.128 -7.341 90.308 1.00 0.00 C ATOM 1766 CD1 LEU A 116 21.898 -7.013 89.454 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.894 -8.493 89.647 1.00 0.00 C ATOM 0 H LEU A 116 24.766 -5.236 92.667 1.00 0.00 H new ATOM 0 HA LEU A 116 25.503 -7.520 91.027 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.515 -5.347 91.049 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.134 -5.638 89.435 1.00 0.00 H new ATOM 0 HG LEU A 116 22.832 -7.647 91.311 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.267 -7.898 89.369 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.333 -6.208 89.924 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.218 -6.699 88.460 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.248 -9.368 89.580 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.207 -8.195 88.646 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.773 -8.736 90.244 1.00 0.00 H new ATOM 1779 N LEU A 117 27.042 -4.700 90.563 1.00 0.00 N ATOM 1780 CA LEU A 117 28.116 -4.089 89.734 1.00 0.00 C ATOM 1781 C LEU A 117 29.393 -4.892 89.971 1.00 0.00 C ATOM 1782 O LEU A 117 30.462 -4.572 89.493 1.00 0.00 O ATOM 1783 CB LEU A 117 28.262 -2.591 90.081 1.00 0.00 C ATOM 1784 CG LEU A 117 29.532 -2.276 90.904 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.760 -2.153 89.978 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.338 -0.931 91.629 1.00 0.00 C ATOM 0 H LEU A 117 26.808 -4.204 91.423 1.00 0.00 H new ATOM 0 HA LEU A 117 27.879 -4.127 88.671 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.282 -2.012 89.158 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.385 -2.268 90.641 1.00 0.00 H new ATOM 0 HG LEU A 117 29.695 -3.084 91.618 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.645 -1.931 90.575 1.00 0.00 H new ATOM 0 HD12 LEU A 117 30.908 -3.092 89.444 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.595 -1.349 89.260 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.229 -0.700 92.212 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.171 -0.143 90.895 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.476 -0.997 92.293 1.00 0.00 H new ATOM 1798 N GLN A 118 29.259 -5.975 90.685 1.00 0.00 N ATOM 1799 CA GLN A 118 30.422 -6.862 90.947 1.00 0.00 C ATOM 1800 C GLN A 118 30.773 -7.622 89.662 1.00 0.00 C ATOM 1801 O GLN A 118 29.853 -8.037 88.974 1.00 0.00 O ATOM 1802 CB GLN A 118 30.057 -7.878 92.037 1.00 0.00 C ATOM 1803 CG GLN A 118 29.051 -8.899 91.477 1.00 0.00 C ATOM 1804 CD GLN A 118 29.799 -10.056 90.801 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.420 -10.496 89.734 1.00 0.00 O ATOM 1806 NE2 GLN A 118 30.848 -10.572 91.382 1.00 0.00 N ATOM 1807 OXT GLN A 118 31.951 -7.785 89.391 1.00 0.00 O ATOM 0 H GLN A 118 28.381 -6.285 91.102 1.00 0.00 H new ATOM 0 HA GLN A 118 31.271 -6.261 91.273 1.00 0.00 H new ATOM 0 HB2 GLN A 118 30.954 -8.390 92.386 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.628 -7.365 92.898 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.423 -9.282 92.281 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.389 -8.414 90.759 1.00 0.00 H new ATOM 0 HE21 GLN A 118 31.168 -10.204 92.278 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.348 -11.343 90.940 1.00 0.00 H new