USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 711 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 93 SER OG : rot 180:sc= 0.85 USER MOD Set 1.2: A 98 SER OG : rot -100:sc= 0.952 USER MOD Set 2.1: A 65 SER OG : rot 28:sc= -0.0102 USER MOD Set 2.2: A 66 ASN : amide:sc= -2.52! C(o=-2.5!,f=-12!) USER MOD Set 3.1: A 52 SER OG : rot -99:sc= 0.602 USER MOD Set 3.2: A 54 ASN : amide:sc= 0.229 K(o=0.83,f=-2.9!) USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0.796 USER MOD Set 4.2: A 104 SER OG : rot 111:sc= 0.991 USER MOD Single : A 15 THR OG1 : rot -148:sc= 0.431 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 21 GLN : amide:sc= -0.902 K(o=-0.9,f=-3.2!) USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.163 F(o=-1.2,f=-0.16) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.87 F(o=-3.4!,f=-1.9) USER MOD Single : A 51 GLN : amide:sc= -3.6! C(o=-3.6!,f=-3.1!) USER MOD Single : A 61 GLN :FLIP amide:sc= -2.94! C(o=-6.9!,f=-2.9!) USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.666 USER MOD Single : A 71 THR OG1 : rot -69:sc= 1.76 USER MOD Single : A 80 SER OG : rot 179:sc= 1.19! USER MOD Single : A 85 SER OG : rot -104:sc= 1.12 USER MOD Single : A 88 TYR OH : rot 56:sc= 0.622 USER MOD Single : A 92 THR OG1 : rot -84:sc= 1.07 USER MOD Single : A 94 SER OG : rot -164:sc= 0.626 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0518 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0481 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN :FLIP amide:sc= -2.89! C(o=-5.4!,f=-2.9!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 14 -6.444 22.513 -4.090 1.00 0.00 N ATOM 2 CA PRO A 14 -5.354 21.757 -4.750 1.00 0.00 C ATOM 3 C PRO A 14 -5.217 20.346 -4.166 1.00 0.00 C ATOM 4 O PRO A 14 -4.142 19.779 -4.163 1.00 0.00 O ATOM 5 CB PRO A 14 -4.093 22.581 -4.468 1.00 0.00 C ATOM 6 CG PRO A 14 -4.441 23.535 -3.287 1.00 0.00 C ATOM 7 CD PRO A 14 -5.976 23.573 -3.166 1.00 0.00 C ATOM 0 HA PRO A 14 -5.540 21.622 -5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.256 21.933 -4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.795 23.148 -5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.991 23.179 -2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.045 24.534 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.299 23.380 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.373 24.549 -3.447 1.00 0.00 H new ATOM 15 N THR A 15 -6.306 19.807 -3.688 1.00 0.00 N ATOM 16 CA THR A 15 -6.242 18.436 -3.107 1.00 0.00 C ATOM 17 C THR A 15 -7.221 17.496 -3.814 1.00 0.00 C ATOM 18 O THR A 15 -8.286 17.898 -4.238 1.00 0.00 O ATOM 19 CB THR A 15 -6.592 18.509 -1.615 1.00 0.00 C ATOM 20 OG1 THR A 15 -8.005 18.645 -1.577 1.00 0.00 O ATOM 21 CG2 THR A 15 -6.083 19.814 -0.997 1.00 0.00 C ATOM 0 H THR A 15 -7.225 20.249 -3.674 1.00 0.00 H new ATOM 0 HA THR A 15 -5.233 18.045 -3.241 1.00 0.00 H new ATOM 0 HB THR A 15 -6.176 17.646 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.261 19.181 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.344 19.841 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.000 19.870 -1.105 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.543 20.661 -1.506 1.00 0.00 H new ATOM 29 N LEU A 16 -6.824 16.258 -3.915 1.00 0.00 N ATOM 30 CA LEU A 16 -7.675 15.234 -4.576 1.00 0.00 C ATOM 31 C LEU A 16 -7.551 13.950 -3.753 1.00 0.00 C ATOM 32 O LEU A 16 -6.498 13.342 -3.720 1.00 0.00 O ATOM 33 CB LEU A 16 -7.152 14.984 -5.998 1.00 0.00 C ATOM 34 CG LEU A 16 -6.951 16.327 -6.716 1.00 0.00 C ATOM 35 CD1 LEU A 16 -5.527 16.833 -6.450 1.00 0.00 C ATOM 36 CD2 LEU A 16 -7.119 16.109 -8.222 1.00 0.00 C ATOM 0 H LEU A 16 -5.933 15.909 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.713 15.561 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.210 14.436 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.858 14.366 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.678 17.054 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.379 17.786 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.383 16.966 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.807 16.106 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.979 17.055 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.378 15.389 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.120 15.727 -8.425 1.00 0.00 H new ATOM 48 N PRO A 17 -8.613 13.616 -3.066 1.00 0.00 N ATOM 49 CA PRO A 17 -8.759 12.293 -2.415 1.00 0.00 C ATOM 50 C PRO A 17 -9.061 11.209 -3.451 1.00 0.00 C ATOM 51 O PRO A 17 -9.268 10.060 -3.115 1.00 0.00 O ATOM 52 CB PRO A 17 -9.936 12.460 -1.446 1.00 0.00 C ATOM 53 CG PRO A 17 -10.621 13.818 -1.783 1.00 0.00 C ATOM 54 CD PRO A 17 -9.739 14.547 -2.816 1.00 0.00 C ATOM 0 HA PRO A 17 -7.847 11.984 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.642 11.636 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.588 12.450 -0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.621 13.652 -2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.734 14.422 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.291 14.757 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.385 15.503 -2.431 1.00 0.00 H new ATOM 62 N GLU A 18 -9.094 11.615 -4.692 1.00 0.00 N ATOM 63 CA GLU A 18 -9.371 10.642 -5.788 1.00 0.00 C ATOM 64 C GLU A 18 -8.657 11.085 -7.068 1.00 0.00 C ATOM 65 O GLU A 18 -9.283 11.460 -8.041 1.00 0.00 O ATOM 66 CB GLU A 18 -10.884 10.585 -6.025 1.00 0.00 C ATOM 67 CG GLU A 18 -11.437 12.014 -6.097 1.00 0.00 C ATOM 68 CD GLU A 18 -12.937 11.947 -6.404 1.00 0.00 C ATOM 69 OE1 GLU A 18 -13.636 11.405 -5.565 1.00 0.00 O ATOM 70 OE2 GLU A 18 -13.293 12.441 -7.461 1.00 0.00 O ATOM 0 H GLU A 18 -8.941 12.577 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.005 9.654 -5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.099 10.052 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.370 10.034 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.268 12.532 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.918 12.581 -6.870 1.00 0.00 H new ATOM 77 N GLN A 19 -7.353 11.025 -7.038 1.00 0.00 N ATOM 78 CA GLN A 19 -6.573 11.443 -8.236 1.00 0.00 C ATOM 79 C GLN A 19 -6.542 10.318 -9.274 1.00 0.00 C ATOM 80 O GLN A 19 -6.306 10.551 -10.443 1.00 0.00 O ATOM 81 CB GLN A 19 -5.149 11.783 -7.792 1.00 0.00 C ATOM 82 CG GLN A 19 -4.466 12.596 -8.898 1.00 0.00 C ATOM 83 CD GLN A 19 -3.417 11.722 -9.590 1.00 0.00 C ATOM 84 OE1 GLN A 19 -2.503 11.218 -8.968 1.00 0.00 O ATOM 85 NE2 GLN A 19 -3.511 11.522 -10.876 1.00 0.00 N ATOM 0 H GLN A 19 -6.799 10.707 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.042 12.314 -8.693 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.170 12.353 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.588 10.870 -7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.205 12.940 -9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.996 13.484 -8.476 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.276 11.943 -11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.819 10.945 -11.354 1.00 0.00 H new ATOM 94 N ALA A 20 -6.779 9.117 -8.815 1.00 0.00 N ATOM 95 CA ALA A 20 -6.782 7.956 -9.749 1.00 0.00 C ATOM 96 C ALA A 20 -8.172 7.313 -9.760 1.00 0.00 C ATOM 97 O ALA A 20 -8.907 7.436 -10.718 1.00 0.00 O ATOM 98 CB ALA A 20 -5.748 6.939 -9.271 1.00 0.00 C ATOM 0 H ALA A 20 -6.970 8.892 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.535 8.288 -10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.740 6.083 -9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.761 7.402 -9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.004 6.605 -8.265 1.00 0.00 H new ATOM 104 N GLN A 21 -8.500 6.648 -8.684 1.00 0.00 N ATOM 105 CA GLN A 21 -9.836 5.997 -8.597 1.00 0.00 C ATOM 106 C GLN A 21 -10.605 6.592 -7.414 1.00 0.00 C ATOM 107 O GLN A 21 -10.036 6.855 -6.373 1.00 0.00 O ATOM 108 CB GLN A 21 -9.640 4.494 -8.381 1.00 0.00 C ATOM 109 CG GLN A 21 -9.773 3.769 -9.726 1.00 0.00 C ATOM 110 CD GLN A 21 -8.608 4.161 -10.636 1.00 0.00 C ATOM 111 OE1 GLN A 21 -7.486 3.728 -10.460 1.00 0.00 O ATOM 112 NE2 GLN A 21 -8.832 4.977 -11.629 1.00 0.00 N ATOM 0 H GLN A 21 -7.902 6.529 -7.866 1.00 0.00 H new ATOM 0 HA GLN A 21 -10.398 6.164 -9.516 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.659 4.302 -7.946 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.381 4.116 -7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.779 2.690 -9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.720 4.028 -10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.770 5.345 -11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.069 5.246 -12.250 1.00 0.00 H new ATOM 121 N PRO A 22 -11.882 6.794 -7.610 1.00 0.00 N ATOM 122 CA PRO A 22 -12.705 7.616 -6.692 1.00 0.00 C ATOM 123 C PRO A 22 -13.012 6.875 -5.384 1.00 0.00 C ATOM 124 O PRO A 22 -14.147 6.531 -5.118 1.00 0.00 O ATOM 125 CB PRO A 22 -13.993 7.891 -7.477 1.00 0.00 C ATOM 126 CG PRO A 22 -14.040 6.850 -8.633 1.00 0.00 C ATOM 127 CD PRO A 22 -12.622 6.266 -8.781 1.00 0.00 C ATOM 0 HA PRO A 22 -12.189 8.529 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.867 7.795 -6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.997 8.907 -7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.759 6.062 -8.411 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.360 7.322 -9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.639 5.176 -8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.159 6.578 -9.717 1.00 0.00 H new ATOM 135 N TRP A 23 -11.998 6.642 -4.594 1.00 0.00 N ATOM 136 CA TRP A 23 -12.236 5.930 -3.308 1.00 0.00 C ATOM 137 C TRP A 23 -11.585 6.639 -2.117 1.00 0.00 C ATOM 138 O TRP A 23 -10.589 6.191 -1.585 1.00 0.00 O ATOM 139 CB TRP A 23 -11.710 4.489 -3.422 1.00 0.00 C ATOM 140 CG TRP A 23 -10.318 4.419 -4.062 1.00 0.00 C ATOM 141 CD1 TRP A 23 -9.214 5.139 -3.706 1.00 0.00 C ATOM 142 CD2 TRP A 23 -9.960 3.505 -4.987 1.00 0.00 C ATOM 143 NE1 TRP A 23 -8.260 4.594 -4.438 1.00 0.00 N ATOM 144 CE2 TRP A 23 -8.611 3.605 -5.245 1.00 0.00 C ATOM 145 CE3 TRP A 23 -10.721 2.556 -5.645 1.00 0.00 C ATOM 146 CZ2 TRP A 23 -8.016 2.755 -6.157 1.00 0.00 C ATOM 147 CZ3 TRP A 23 -10.127 1.706 -6.558 1.00 0.00 C ATOM 148 CH2 TRP A 23 -8.773 1.806 -6.814 1.00 0.00 C ATOM 0 H TRP A 23 -11.031 6.909 -4.780 1.00 0.00 H new ATOM 0 HA TRP A 23 -13.310 5.925 -3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -11.673 4.040 -2.429 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -12.408 3.897 -4.014 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -9.140 5.953 -3.000 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.295 4.920 -4.384 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -11.780 2.479 -5.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.957 2.833 -6.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.721 0.964 -7.071 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.307 1.142 -7.527 1.00 0.00 H new ATOM 159 N GLY A 24 -12.172 7.734 -1.722 1.00 0.00 N ATOM 160 CA GLY A 24 -11.627 8.490 -0.556 1.00 0.00 C ATOM 161 C GLY A 24 -12.647 8.425 0.581 1.00 0.00 C ATOM 162 O GLY A 24 -13.399 9.355 0.797 1.00 0.00 O ATOM 0 H GLY A 24 -13.003 8.139 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.676 8.062 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.433 9.526 -0.833 1.00 0.00 H new ATOM 166 N VAL A 25 -12.650 7.324 1.285 1.00 0.00 N ATOM 167 CA VAL A 25 -13.633 7.163 2.394 1.00 0.00 C ATOM 168 C VAL A 25 -12.934 6.864 3.728 1.00 0.00 C ATOM 169 O VAL A 25 -11.957 6.148 3.782 1.00 0.00 O ATOM 170 CB VAL A 25 -14.557 5.998 2.021 1.00 0.00 C ATOM 171 CG1 VAL A 25 -15.279 6.340 0.715 1.00 0.00 C ATOM 172 CG2 VAL A 25 -13.700 4.749 1.783 1.00 0.00 C ATOM 0 H VAL A 25 -12.019 6.535 1.141 1.00 0.00 H new ATOM 0 HA VAL A 25 -14.193 8.089 2.524 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.277 5.822 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.940 5.518 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.866 7.248 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.546 6.497 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.344 3.911 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.997 4.939 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.148 4.508 2.692 1.00 0.00 H new ATOM 182 N PRO A 26 -13.510 7.373 4.784 1.00 0.00 N ATOM 183 CA PRO A 26 -12.760 7.758 6.003 1.00 0.00 C ATOM 184 C PRO A 26 -11.756 6.693 6.472 1.00 0.00 C ATOM 185 O PRO A 26 -10.676 7.024 6.923 1.00 0.00 O ATOM 186 CB PRO A 26 -13.838 8.000 7.068 1.00 0.00 C ATOM 187 CG PRO A 26 -15.213 8.016 6.337 1.00 0.00 C ATOM 188 CD PRO A 26 -14.977 7.558 4.884 1.00 0.00 C ATOM 0 HA PRO A 26 -12.146 8.637 5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.814 7.216 7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.665 8.945 7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.920 7.353 6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.645 9.016 6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.509 6.631 4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.332 8.302 4.171 1.00 0.00 H new ATOM 196 N VAL A 27 -12.120 5.444 6.357 1.00 0.00 N ATOM 197 CA VAL A 27 -11.194 4.364 6.809 1.00 0.00 C ATOM 198 C VAL A 27 -11.355 3.168 5.889 1.00 0.00 C ATOM 199 O VAL A 27 -11.259 2.025 6.289 1.00 0.00 O ATOM 200 CB VAL A 27 -11.542 3.968 8.253 1.00 0.00 C ATOM 201 CG1 VAL A 27 -11.263 5.155 9.179 1.00 0.00 C ATOM 202 CG2 VAL A 27 -13.033 3.621 8.333 1.00 0.00 C ATOM 0 H VAL A 27 -13.010 5.126 5.973 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.162 4.713 6.776 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.942 3.109 8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.508 4.881 10.205 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.209 5.425 9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.874 6.005 8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.287 3.339 9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.625 4.488 8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.249 2.789 7.663 1.00 0.00 H new ATOM 212 N GLU A 28 -11.591 3.500 4.654 1.00 0.00 N ATOM 213 CA GLU A 28 -11.769 2.462 3.614 1.00 0.00 C ATOM 214 C GLU A 28 -11.309 3.053 2.286 1.00 0.00 C ATOM 215 O GLU A 28 -11.141 4.247 2.141 1.00 0.00 O ATOM 216 CB GLU A 28 -13.253 2.083 3.530 1.00 0.00 C ATOM 217 CG GLU A 28 -13.606 1.184 4.723 1.00 0.00 C ATOM 218 CD GLU A 28 -15.060 0.708 4.606 1.00 0.00 C ATOM 219 OE1 GLU A 28 -15.711 1.139 3.667 1.00 0.00 O ATOM 220 OE2 GLU A 28 -15.437 -0.063 5.473 1.00 0.00 O ATOM 0 H GLU A 28 -11.669 4.460 4.319 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.190 1.569 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.872 2.980 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.457 1.564 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.935 0.326 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.467 1.731 5.655 1.00 0.00 H new ATOM 227 N VAL A 29 -10.963 2.172 1.402 1.00 0.00 N ATOM 228 CA VAL A 29 -10.564 2.612 0.036 1.00 0.00 C ATOM 229 C VAL A 29 -10.620 1.488 -0.986 1.00 0.00 C ATOM 230 O VAL A 29 -11.541 1.397 -1.775 1.00 0.00 O ATOM 231 CB VAL A 29 -9.171 3.236 0.041 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.529 3.085 -1.343 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.357 4.736 0.287 1.00 0.00 C ATOM 0 H VAL A 29 -10.937 1.165 1.561 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.294 3.364 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.548 2.758 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.535 3.532 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.449 2.027 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.146 3.588 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.384 5.226 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.968 5.162 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.852 4.889 1.246 1.00 0.00 H new ATOM 243 N GLU A 30 -9.617 0.656 -0.942 1.00 0.00 N ATOM 244 CA GLU A 30 -9.573 -0.457 -1.933 1.00 0.00 C ATOM 245 C GLU A 30 -9.295 -1.820 -1.305 1.00 0.00 C ATOM 246 O GLU A 30 -8.195 -2.125 -0.889 1.00 0.00 O ATOM 247 CB GLU A 30 -8.487 -0.144 -2.964 1.00 0.00 C ATOM 248 CG GLU A 30 -8.321 -1.340 -3.912 1.00 0.00 C ATOM 249 CD GLU A 30 -9.688 -1.739 -4.476 1.00 0.00 C ATOM 250 OE1 GLU A 30 -10.260 -0.900 -5.152 1.00 0.00 O ATOM 251 OE2 GLU A 30 -10.079 -2.861 -4.197 1.00 0.00 O ATOM 0 H GLU A 30 -8.842 0.694 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.559 -0.523 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.755 0.748 -3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.544 0.069 -2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.642 -1.082 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.876 -2.181 -3.380 1.00 0.00 H new ATOM 258 N SER A 31 -10.327 -2.612 -1.252 1.00 0.00 N ATOM 259 CA SER A 31 -10.169 -3.982 -0.693 1.00 0.00 C ATOM 260 C SER A 31 -10.065 -4.996 -1.839 1.00 0.00 C ATOM 261 O SER A 31 -11.005 -5.222 -2.572 1.00 0.00 O ATOM 262 CB SER A 31 -11.375 -4.288 0.183 1.00 0.00 C ATOM 263 OG SER A 31 -11.356 -3.217 1.116 1.00 0.00 O ATOM 0 H SER A 31 -11.267 -2.373 -1.569 1.00 0.00 H new ATOM 0 HA SER A 31 -9.260 -4.046 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.300 -4.308 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.284 -5.256 0.675 1.00 0.00 H new ATOM 0 HG SER A 31 -12.105 -3.314 1.740 1.00 0.00 H new ATOM 269 N LEU A 32 -8.900 -5.575 -1.951 1.00 0.00 N ATOM 270 CA LEU A 32 -8.649 -6.570 -3.036 1.00 0.00 C ATOM 271 C LEU A 32 -8.012 -7.871 -2.521 1.00 0.00 C ATOM 272 O LEU A 32 -7.172 -7.881 -1.641 1.00 0.00 O ATOM 273 CB LEU A 32 -7.714 -5.922 -4.065 1.00 0.00 C ATOM 274 CG LEU A 32 -7.424 -6.919 -5.197 1.00 0.00 C ATOM 275 CD1 LEU A 32 -8.716 -7.187 -5.977 1.00 0.00 C ATOM 276 CD2 LEU A 32 -6.397 -6.296 -6.147 1.00 0.00 C ATOM 0 H LEU A 32 -8.106 -5.401 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.609 -6.842 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.172 -5.020 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.783 -5.619 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.042 -7.852 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.515 -7.894 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.466 -7.605 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.087 -6.253 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.181 -6.993 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.799 -5.371 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.479 -6.080 -5.600 1.00 0.00 H new ATOM 288 N LEU A 33 -8.439 -8.954 -3.114 1.00 0.00 N ATOM 289 CA LEU A 33 -7.890 -10.282 -2.727 1.00 0.00 C ATOM 290 C LEU A 33 -7.022 -10.828 -3.860 1.00 0.00 C ATOM 291 O LEU A 33 -7.397 -10.803 -5.016 1.00 0.00 O ATOM 292 CB LEU A 33 -9.059 -11.238 -2.447 1.00 0.00 C ATOM 293 CG LEU A 33 -9.893 -11.421 -3.723 1.00 0.00 C ATOM 294 CD1 LEU A 33 -9.537 -12.767 -4.364 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.378 -11.433 -3.344 1.00 0.00 C ATOM 0 H LEU A 33 -9.145 -8.974 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.276 -10.186 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.680 -12.202 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.683 -10.841 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.688 -10.610 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.125 -12.905 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.476 -12.782 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.756 -13.573 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.982 -11.562 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.571 -12.256 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.639 -10.490 -2.864 1.00 0.00 H new ATOM 307 N VAL A 34 -5.864 -11.295 -3.484 1.00 0.00 N ATOM 308 CA VAL A 34 -4.914 -11.853 -4.485 1.00 0.00 C ATOM 309 C VAL A 34 -4.512 -13.270 -4.079 1.00 0.00 C ATOM 310 O VAL A 34 -4.744 -13.686 -2.961 1.00 0.00 O ATOM 311 CB VAL A 34 -3.665 -10.960 -4.530 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.522 -10.381 -5.941 1.00 0.00 C ATOM 313 CG2 VAL A 34 -3.818 -9.803 -3.536 1.00 0.00 C ATOM 0 H VAL A 34 -5.533 -11.314 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.387 -11.884 -5.467 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.787 -11.551 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.638 -9.745 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.420 -11.194 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.406 -9.791 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.929 -9.173 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.694 -9.210 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.939 -10.202 -2.529 1.00 0.00 H new ATOM 323 N HIS A 35 -3.902 -13.966 -5.001 1.00 0.00 N ATOM 324 CA HIS A 35 -3.468 -15.366 -4.720 1.00 0.00 C ATOM 325 C HIS A 35 -1.942 -15.480 -4.842 1.00 0.00 C ATOM 326 O HIS A 35 -1.307 -14.680 -5.499 1.00 0.00 O ATOM 327 CB HIS A 35 -4.136 -16.283 -5.749 1.00 0.00 C ATOM 328 CG HIS A 35 -5.656 -16.112 -5.674 1.00 0.00 C ATOM 329 ND1 HIS A 35 -6.465 -15.649 -4.651 1.00 0.00 N flip ATOM 330 CD2 HIS A 35 -6.481 -16.401 -6.626 1.00 0.00 C flip ATOM 331 CE1 HIS A 35 -7.730 -15.675 -5.023 1.00 0.00 C flip ATOM 332 NE2 HIS A 35 -7.692 -16.146 -6.246 1.00 0.00 N flip ATOM 0 H HIS A 35 -3.685 -13.625 -5.938 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.756 -15.652 -3.708 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.781 -16.042 -6.751 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.866 -17.321 -5.556 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.131 -15.333 -3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.202 -16.795 -7.592 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.597 -15.377 -4.452 1.00 0.00 H new ATOM 340 N PRO A 36 -1.400 -16.490 -4.210 1.00 0.00 N ATOM 341 CA PRO A 36 0.026 -16.504 -3.802 1.00 0.00 C ATOM 342 C PRO A 36 0.976 -16.479 -5.006 1.00 0.00 C ATOM 343 O PRO A 36 1.367 -17.509 -5.521 1.00 0.00 O ATOM 344 CB PRO A 36 0.198 -17.801 -2.995 1.00 0.00 C ATOM 345 CG PRO A 36 -1.188 -18.508 -2.945 1.00 0.00 C ATOM 346 CD PRO A 36 -2.161 -17.703 -3.826 1.00 0.00 C ATOM 0 HA PRO A 36 0.276 -15.616 -3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.941 -18.447 -3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.553 -17.582 -1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.107 -19.534 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.554 -18.558 -1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.467 -18.274 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.069 -17.445 -3.281 1.00 0.00 H new ATOM 354 N GLY A 37 1.317 -15.291 -5.428 1.00 0.00 N ATOM 355 CA GLY A 37 2.242 -15.138 -6.586 1.00 0.00 C ATOM 356 C GLY A 37 1.616 -14.229 -7.646 1.00 0.00 C ATOM 357 O GLY A 37 1.791 -14.446 -8.829 1.00 0.00 O ATOM 0 H GLY A 37 0.992 -14.416 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.190 -14.718 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.461 -16.115 -7.017 1.00 0.00 H new ATOM 361 N ASP A 38 0.898 -13.231 -7.201 1.00 0.00 N ATOM 362 CA ASP A 38 0.247 -12.313 -8.183 1.00 0.00 C ATOM 363 C ASP A 38 0.632 -10.833 -8.007 1.00 0.00 C ATOM 364 O ASP A 38 1.492 -10.467 -7.226 1.00 0.00 O ATOM 365 CB ASP A 38 -1.270 -12.472 -8.016 1.00 0.00 C ATOM 366 CG ASP A 38 -1.989 -11.929 -9.255 1.00 0.00 C ATOM 367 OD1 ASP A 38 -1.825 -12.554 -10.290 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.658 -10.922 -9.094 1.00 0.00 O ATOM 0 H ASP A 38 0.736 -13.014 -6.218 1.00 0.00 H new ATOM 0 HA ASP A 38 0.590 -12.588 -9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.521 -13.523 -7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.605 -11.938 -7.127 1.00 0.00 H new ATOM 373 N LEU A 39 -0.040 -10.029 -8.789 1.00 0.00 N ATOM 374 CA LEU A 39 0.183 -8.559 -8.769 1.00 0.00 C ATOM 375 C LEU A 39 -0.943 -7.871 -7.993 1.00 0.00 C ATOM 376 O LEU A 39 -2.106 -7.993 -8.321 1.00 0.00 O ATOM 377 CB LEU A 39 0.180 -8.049 -10.216 1.00 0.00 C ATOM 378 CG LEU A 39 1.482 -8.462 -10.925 1.00 0.00 C ATOM 379 CD1 LEU A 39 1.522 -9.984 -11.096 1.00 0.00 C ATOM 380 CD2 LEU A 39 1.507 -7.820 -12.317 1.00 0.00 C ATOM 0 H LEU A 39 -0.748 -10.340 -9.454 1.00 0.00 H new ATOM 0 HA LEU A 39 1.135 -8.337 -8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.679 -8.454 -10.751 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.079 -6.964 -10.227 1.00 0.00 H new ATOM 0 HG LEU A 39 2.336 -8.136 -10.331 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.446 -10.270 -11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.479 -10.461 -10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.669 -10.305 -11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.425 -8.104 -12.832 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.647 -8.164 -12.892 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.467 -6.735 -12.218 1.00 0.00 H new ATOM 392 N LEU A 40 -0.545 -7.163 -6.975 1.00 0.00 N ATOM 393 CA LEU A 40 -1.527 -6.429 -6.122 1.00 0.00 C ATOM 394 C LEU A 40 -1.117 -4.955 -6.036 1.00 0.00 C ATOM 395 O LEU A 40 0.038 -4.651 -5.829 1.00 0.00 O ATOM 396 CB LEU A 40 -1.511 -7.070 -4.726 1.00 0.00 C ATOM 397 CG LEU A 40 -1.728 -6.000 -3.644 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.182 -5.518 -3.692 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.458 -6.625 -2.275 1.00 0.00 C ATOM 0 H LEU A 40 0.429 -7.059 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.530 -6.486 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.291 -7.829 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.559 -7.575 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.056 -5.159 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.339 -4.759 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.392 -5.092 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.851 -6.360 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.608 -5.876 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.142 -7.458 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.431 -6.987 -2.237 1.00 0.00 H new ATOM 411 N GLN A 41 -2.058 -4.064 -6.190 1.00 0.00 N ATOM 412 CA GLN A 41 -1.684 -2.621 -6.114 1.00 0.00 C ATOM 413 C GLN A 41 -2.682 -1.765 -5.324 1.00 0.00 C ATOM 414 O GLN A 41 -3.872 -2.010 -5.314 1.00 0.00 O ATOM 415 CB GLN A 41 -1.559 -2.066 -7.544 1.00 0.00 C ATOM 416 CG GLN A 41 -2.493 -2.833 -8.490 1.00 0.00 C ATOM 417 CD GLN A 41 -3.937 -2.692 -8.006 1.00 0.00 C ATOM 418 OE1 GLN A 41 -4.584 -3.766 -7.644 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -4.488 -1.610 -7.952 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.044 -4.263 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.737 -2.565 -5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.809 -1.005 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.528 -2.154 -7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.399 -2.446 -9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.210 -3.885 -8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.987 -0.768 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.452 -1.544 -7.625 1.00 0.00 H new ATOM 428 N LEU A 42 -2.131 -0.777 -4.669 1.00 0.00 N ATOM 429 CA LEU A 42 -2.948 0.178 -3.867 1.00 0.00 C ATOM 430 C LEU A 42 -2.557 1.570 -4.354 1.00 0.00 C ATOM 431 O LEU A 42 -1.401 1.933 -4.275 1.00 0.00 O ATOM 432 CB LEU A 42 -2.608 0.041 -2.368 1.00 0.00 C ATOM 433 CG LEU A 42 -1.317 -0.773 -2.179 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.685 -0.400 -0.829 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.677 -2.259 -2.148 1.00 0.00 C ATOM 0 H LEU A 42 -1.129 -0.589 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.015 -0.013 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.489 1.030 -1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.431 -0.446 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.622 -0.564 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.232 -0.972 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.453 0.665 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.384 -0.628 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.771 -2.850 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.361 -2.451 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.156 -2.537 -3.087 1.00 0.00 H new ATOM 447 N ARG A 43 -3.512 2.305 -4.855 1.00 0.00 N ATOM 448 CA ARG A 43 -3.191 3.663 -5.377 1.00 0.00 C ATOM 449 C ARG A 43 -3.792 4.769 -4.524 1.00 0.00 C ATOM 450 O ARG A 43 -4.992 4.878 -4.357 1.00 0.00 O ATOM 451 CB ARG A 43 -3.734 3.756 -6.805 1.00 0.00 C ATOM 452 CG ARG A 43 -3.482 5.161 -7.355 1.00 0.00 C ATOM 453 CD ARG A 43 -3.036 5.030 -8.812 1.00 0.00 C ATOM 454 NE ARG A 43 -4.090 4.300 -9.571 1.00 0.00 N ATOM 455 CZ ARG A 43 -3.812 3.179 -10.183 1.00 0.00 C ATOM 456 NH1 ARG A 43 -2.570 2.801 -10.342 1.00 0.00 N ATOM 457 NH2 ARG A 43 -4.813 2.470 -10.624 1.00 0.00 N ATOM 0 H ARG A 43 -4.491 2.028 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.110 3.801 -5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.250 3.013 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.802 3.536 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.388 5.764 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.717 5.668 -6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.872 6.016 -9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.089 4.494 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.036 4.678 -9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.811 3.382 -9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.361 1.925 -10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.769 2.797 -10.486 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.640 1.589 -11.107 1.00 0.00 H new ATOM 471 N CYS A 44 -2.901 5.589 -4.043 1.00 0.00 N ATOM 472 CA CYS A 44 -3.323 6.726 -3.187 1.00 0.00 C ATOM 473 C CYS A 44 -3.670 7.936 -4.052 1.00 0.00 C ATOM 474 O CYS A 44 -3.886 7.831 -5.243 1.00 0.00 O ATOM 475 CB CYS A 44 -2.152 7.093 -2.281 1.00 0.00 C ATOM 476 SG CYS A 44 -2.511 7.566 -0.574 1.00 0.00 S ATOM 0 H CYS A 44 -1.897 5.519 -4.207 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.199 6.442 -2.604 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.471 6.242 -2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.614 7.917 -2.749 1.00 0.00 H new ATOM 481 N ARG A 45 -3.710 9.061 -3.398 1.00 0.00 N ATOM 482 CA ARG A 45 -4.032 10.339 -4.094 1.00 0.00 C ATOM 483 C ARG A 45 -3.048 11.421 -3.638 1.00 0.00 C ATOM 484 O ARG A 45 -1.894 11.134 -3.394 1.00 0.00 O ATOM 485 CB ARG A 45 -5.467 10.743 -3.753 1.00 0.00 C ATOM 486 CG ARG A 45 -6.382 9.519 -3.892 1.00 0.00 C ATOM 487 CD ARG A 45 -6.460 8.779 -2.550 1.00 0.00 C ATOM 488 NE ARG A 45 -6.765 9.768 -1.477 1.00 0.00 N ATOM 489 CZ ARG A 45 -5.890 9.970 -0.527 1.00 0.00 C ATOM 490 NH1 ARG A 45 -4.622 10.002 -0.825 1.00 0.00 N ATOM 491 NH2 ARG A 45 -6.298 10.133 0.700 1.00 0.00 N ATOM 0 H ARG A 45 -3.531 9.152 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.945 10.216 -5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.516 11.135 -2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.801 11.539 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.378 9.831 -4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.999 8.852 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.232 8.011 -2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.517 8.274 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.646 10.281 -1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.322 9.870 -1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.930 10.159 -0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.295 10.103 0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.621 10.291 1.446 1.00 0.00 H new ATOM 505 N LEU A 46 -3.510 12.638 -3.527 1.00 0.00 N ATOM 506 CA LEU A 46 -2.567 13.714 -3.092 1.00 0.00 C ATOM 507 C LEU A 46 -3.302 14.941 -2.547 1.00 0.00 C ATOM 508 O LEU A 46 -4.433 15.199 -2.903 1.00 0.00 O ATOM 509 CB LEU A 46 -1.705 14.119 -4.297 1.00 0.00 C ATOM 510 CG LEU A 46 -2.580 14.816 -5.348 1.00 0.00 C ATOM 511 CD1 LEU A 46 -2.464 16.334 -5.166 1.00 0.00 C ATOM 512 CD2 LEU A 46 -2.064 14.448 -6.742 1.00 0.00 C ATOM 0 H LEU A 46 -4.470 12.930 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.949 13.325 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.905 14.786 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.232 13.238 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.618 14.504 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.083 16.838 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.802 16.607 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.425 16.637 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.678 14.937 -7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.030 14.777 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.116 13.368 -6.876 1.00 0.00 H new ATOM 524 N ARG A 47 -2.636 15.714 -1.731 1.00 0.00 N ATOM 525 CA ARG A 47 -3.314 16.922 -1.179 1.00 0.00 C ATOM 526 C ARG A 47 -2.532 18.166 -1.582 1.00 0.00 C ATOM 527 O ARG A 47 -1.647 18.090 -2.410 1.00 0.00 O ATOM 528 CB ARG A 47 -3.375 16.826 0.348 1.00 0.00 C ATOM 529 CG ARG A 47 -4.476 15.835 0.739 1.00 0.00 C ATOM 530 CD ARG A 47 -5.347 16.470 1.830 1.00 0.00 C ATOM 531 NE ARG A 47 -6.587 16.995 1.187 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.759 16.511 1.500 1.00 0.00 C ATOM 533 NH1 ARG A 47 -7.896 15.762 2.561 1.00 0.00 N ATOM 534 NH2 ARG A 47 -8.759 16.811 0.720 1.00 0.00 N ATOM 0 H ARG A 47 -1.673 15.567 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.328 16.984 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.414 16.497 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.579 17.806 0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.084 15.583 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.036 14.905 1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.597 15.734 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.806 17.275 2.328 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.518 17.741 0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.087 15.554 3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.812 15.385 2.804 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.609 17.402 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.692 16.454 0.927 1.00 0.00 H new ATOM 548 N ASP A 48 -2.888 19.278 -0.994 1.00 0.00 N ATOM 549 CA ASP A 48 -2.182 20.552 -1.311 1.00 0.00 C ATOM 550 C ASP A 48 -0.772 20.269 -1.829 1.00 0.00 C ATOM 551 O ASP A 48 -0.383 20.746 -2.877 1.00 0.00 O ATOM 552 CB ASP A 48 -2.105 21.405 -0.038 1.00 0.00 C ATOM 553 CG ASP A 48 -1.396 20.611 1.066 1.00 0.00 C ATOM 554 OD1 ASP A 48 -2.022 19.682 1.549 1.00 0.00 O ATOM 555 OD2 ASP A 48 -0.271 20.980 1.357 1.00 0.00 O ATOM 0 H ASP A 48 -3.638 19.358 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.732 21.085 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.565 22.330 -0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.107 21.685 0.287 1.00 0.00 H new ATOM 560 N ASP A 49 -0.038 19.493 -1.078 1.00 0.00 N ATOM 561 CA ASP A 49 1.346 19.164 -1.516 1.00 0.00 C ATOM 562 C ASP A 49 1.891 17.910 -0.819 1.00 0.00 C ATOM 563 O ASP A 49 3.000 17.935 -0.324 1.00 0.00 O ATOM 564 CB ASP A 49 2.245 20.366 -1.197 1.00 0.00 C ATOM 565 CG ASP A 49 3.466 20.350 -2.123 1.00 0.00 C ATOM 566 OD1 ASP A 49 4.318 19.508 -1.888 1.00 0.00 O ATOM 567 OD2 ASP A 49 3.473 21.182 -3.015 1.00 0.00 O ATOM 0 H ASP A 49 -0.332 19.079 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 49 1.334 18.955 -2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.689 21.294 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.564 20.329 -0.156 1.00 0.00 H new ATOM 572 N VAL A 50 1.127 16.849 -0.755 1.00 0.00 N ATOM 573 CA VAL A 50 1.661 15.624 -0.098 1.00 0.00 C ATOM 574 C VAL A 50 3.101 15.401 -0.535 1.00 0.00 C ATOM 575 O VAL A 50 3.450 15.542 -1.690 1.00 0.00 O ATOM 576 CB VAL A 50 0.823 14.412 -0.499 1.00 0.00 C ATOM 577 CG1 VAL A 50 -0.509 14.473 0.252 1.00 0.00 C ATOM 578 CG2 VAL A 50 0.587 14.437 -2.012 1.00 0.00 C ATOM 0 H VAL A 50 0.178 16.780 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 50 1.618 15.752 0.984 1.00 0.00 H new ATOM 0 HB VAL A 50 1.341 13.487 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.121 13.614 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.322 14.457 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.034 15.391 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.011 13.573 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.059 15.351 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.545 14.405 -2.530 1.00 0.00 H new ATOM 588 N GLN A 51 3.897 15.053 0.430 1.00 0.00 N ATOM 589 CA GLN A 51 5.333 14.814 0.159 1.00 0.00 C ATOM 590 C GLN A 51 5.679 13.420 0.661 1.00 0.00 C ATOM 591 O GLN A 51 6.607 12.797 0.184 1.00 0.00 O ATOM 592 CB GLN A 51 6.115 15.890 0.895 1.00 0.00 C ATOM 593 CG GLN A 51 5.362 17.207 0.662 1.00 0.00 C ATOM 594 CD GLN A 51 6.177 18.371 1.229 1.00 0.00 C ATOM 595 OE1 GLN A 51 6.004 19.511 0.844 1.00 0.00 O ATOM 596 NE2 GLN A 51 7.069 18.131 2.152 1.00 0.00 N ATOM 0 H GLN A 51 3.612 14.923 1.401 1.00 0.00 H new ATOM 0 HA GLN A 51 5.576 14.864 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.181 15.663 1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.136 15.954 0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.190 17.356 -0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.383 17.168 1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.220 17.177 2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.615 18.898 2.545 1.00 0.00 H new ATOM 605 N SER A 52 4.921 12.962 1.620 1.00 0.00 N ATOM 606 CA SER A 52 5.186 11.591 2.136 1.00 0.00 C ATOM 607 C SER A 52 3.920 10.754 2.014 1.00 0.00 C ATOM 608 O SER A 52 2.854 11.191 2.399 1.00 0.00 O ATOM 609 CB SER A 52 5.590 11.664 3.608 1.00 0.00 C ATOM 610 OG SER A 52 6.205 10.402 3.835 1.00 0.00 O ATOM 0 H SER A 52 4.149 13.463 2.059 1.00 0.00 H new ATOM 0 HA SER A 52 5.991 11.138 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.278 12.488 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.727 11.815 4.256 1.00 0.00 H new ATOM 0 HG SER A 52 5.564 9.798 4.266 1.00 0.00 H new ATOM 616 N ILE A 53 4.059 9.598 1.424 1.00 0.00 N ATOM 617 CA ILE A 53 2.890 8.693 1.293 1.00 0.00 C ATOM 618 C ILE A 53 3.283 7.421 2.029 1.00 0.00 C ATOM 619 O ILE A 53 4.009 6.585 1.527 1.00 0.00 O ATOM 620 CB ILE A 53 2.609 8.397 -0.180 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.775 9.546 -0.781 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.776 7.115 -0.281 1.00 0.00 C ATOM 623 CD1 ILE A 53 2.580 10.852 -0.778 1.00 0.00 C ATOM 0 H ILE A 53 4.931 9.245 1.029 1.00 0.00 H new ATOM 0 HA ILE A 53 1.983 9.135 1.705 1.00 0.00 H new ATOM 0 HB ILE A 53 3.554 8.290 -0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.481 9.295 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.857 9.676 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.571 6.896 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.329 6.286 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.835 7.249 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.976 11.653 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.852 11.110 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.485 10.723 -1.372 1.00 0.00 H new ATOM 635 N ASN A 54 2.790 7.334 3.227 1.00 0.00 N ATOM 636 CA ASN A 54 3.107 6.157 4.075 1.00 0.00 C ATOM 637 C ASN A 54 2.085 5.070 3.801 1.00 0.00 C ATOM 638 O ASN A 54 0.906 5.314 3.934 1.00 0.00 O ATOM 639 CB ASN A 54 2.957 6.557 5.530 1.00 0.00 C ATOM 640 CG ASN A 54 3.987 7.612 5.918 1.00 0.00 C ATOM 641 OD1 ASN A 54 4.462 8.404 5.125 1.00 0.00 O ATOM 642 ND2 ASN A 54 4.340 7.654 7.169 1.00 0.00 N ATOM 0 H ASN A 54 2.179 8.028 3.658 1.00 0.00 H new ATOM 0 HA ASN A 54 4.118 5.809 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.953 6.944 5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.074 5.679 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.015 8.350 7.485 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.942 6.990 7.834 1.00 0.00 H new ATOM 649 N TRP A 55 2.522 3.901 3.433 1.00 0.00 N ATOM 650 CA TRP A 55 1.517 2.840 3.191 1.00 0.00 C ATOM 651 C TRP A 55 1.541 1.957 4.432 1.00 0.00 C ATOM 652 O TRP A 55 2.386 1.094 4.555 1.00 0.00 O ATOM 653 CB TRP A 55 1.927 2.066 1.951 1.00 0.00 C ATOM 654 CG TRP A 55 1.732 2.977 0.738 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.698 3.718 0.126 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.581 3.108 0.053 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.060 4.234 -0.907 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.777 3.930 -1.033 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.659 2.552 0.290 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.268 4.195 -1.892 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.706 2.816 -0.568 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.510 3.638 -1.662 1.00 0.00 C ATOM 0 H TRP A 55 3.498 3.641 3.293 1.00 0.00 H new ATOM 0 HA TRP A 55 0.513 3.229 3.023 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.967 1.749 2.026 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.325 1.163 1.850 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.730 3.850 0.415 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.533 4.839 -1.578 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.810 1.911 1.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.115 4.839 -2.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.678 2.381 -0.385 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.328 3.844 -2.336 1.00 0.00 H new ATOM 673 N LEU A 56 0.589 2.142 5.306 1.00 0.00 N ATOM 674 CA LEU A 56 0.618 1.332 6.549 1.00 0.00 C ATOM 675 C LEU A 56 0.082 -0.050 6.202 1.00 0.00 C ATOM 676 O LEU A 56 -1.105 -0.212 6.004 1.00 0.00 O ATOM 677 CB LEU A 56 -0.323 1.932 7.614 1.00 0.00 C ATOM 678 CG LEU A 56 -0.198 3.460 7.709 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.612 4.035 7.837 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.562 3.838 8.985 1.00 0.00 C ATOM 0 H LEU A 56 -0.185 2.800 5.216 1.00 0.00 H new ATOM 0 HA LEU A 56 1.636 1.304 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.353 1.668 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.098 1.490 8.585 1.00 0.00 H new ATOM 0 HG LEU A 56 0.324 3.843 6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.558 5.121 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.199 3.756 6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.087 3.637 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.649 4.923 9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.021 3.465 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.558 3.395 8.960 1.00 0.00 H new ATOM 692 N ARG A 57 0.963 -1.012 6.159 1.00 0.00 N ATOM 693 CA ARG A 57 0.510 -2.386 5.810 1.00 0.00 C ATOM 694 C ARG A 57 -0.116 -3.001 7.050 1.00 0.00 C ATOM 695 O ARG A 57 0.284 -2.700 8.155 1.00 0.00 O ATOM 696 CB ARG A 57 1.725 -3.209 5.378 1.00 0.00 C ATOM 697 CG ARG A 57 1.381 -4.706 5.417 1.00 0.00 C ATOM 698 CD ARG A 57 1.930 -5.297 6.721 1.00 0.00 C ATOM 699 NE ARG A 57 1.603 -6.752 6.765 1.00 0.00 N ATOM 700 CZ ARG A 57 1.492 -7.341 7.928 1.00 0.00 C ATOM 701 NH1 ARG A 57 1.968 -6.729 8.979 1.00 0.00 N ATOM 702 NH2 ARG A 57 0.920 -8.511 8.030 1.00 0.00 N ATOM 0 H ARG A 57 1.960 -0.909 6.347 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.216 -2.365 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.030 -2.923 4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.568 -3.003 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.302 -4.848 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.815 -5.217 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.009 -5.151 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.494 -4.786 7.580 1.00 0.00 H new ATOM 0 HE ARG A 57 1.468 -7.279 5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.412 -5.816 8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.896 -7.164 9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.555 -8.974 7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.839 -8.961 8.942 1.00 0.00 H new ATOM 716 N ASP A 58 -1.144 -3.771 6.828 1.00 0.00 N ATOM 717 CA ASP A 58 -1.847 -4.433 7.962 1.00 0.00 C ATOM 718 C ASP A 58 -2.465 -3.357 8.850 1.00 0.00 C ATOM 719 O ASP A 58 -3.657 -3.129 8.793 1.00 0.00 O ATOM 720 CB ASP A 58 -0.838 -5.273 8.760 1.00 0.00 C ATOM 721 CG ASP A 58 -1.565 -6.082 9.842 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.785 -6.044 9.838 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.849 -6.700 10.612 1.00 0.00 O ATOM 0 H ASP A 58 -1.530 -3.971 5.905 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.635 -5.089 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.303 -5.946 8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.094 -4.622 9.220 1.00 0.00 H new ATOM 728 N GLY A 59 -1.632 -2.740 9.646 1.00 0.00 N ATOM 729 CA GLY A 59 -2.105 -1.650 10.547 1.00 0.00 C ATOM 730 C GLY A 59 -0.927 -0.767 10.990 1.00 0.00 C ATOM 731 O GLY A 59 -1.044 -0.013 11.937 1.00 0.00 O ATOM 0 H GLY A 59 -0.635 -2.947 9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.849 -1.042 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.594 -2.080 11.421 1.00 0.00 H new ATOM 735 N VAL A 60 0.178 -0.874 10.298 1.00 0.00 N ATOM 736 CA VAL A 60 1.371 -0.055 10.670 1.00 0.00 C ATOM 737 C VAL A 60 2.094 0.465 9.420 1.00 0.00 C ATOM 738 O VAL A 60 2.128 -0.191 8.396 1.00 0.00 O ATOM 739 CB VAL A 60 2.330 -0.934 11.483 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.543 -0.097 11.904 1.00 0.00 C ATOM 741 CG2 VAL A 60 1.613 -1.425 12.744 1.00 0.00 C ATOM 0 H VAL A 60 0.306 -1.490 9.495 1.00 0.00 H new ATOM 0 HA VAL A 60 1.044 0.804 11.256 1.00 0.00 H new ATOM 0 HB VAL A 60 2.651 -1.783 10.879 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.229 -0.716 12.482 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.053 0.277 11.016 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.211 0.744 12.513 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.289 -2.051 13.327 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.304 -0.569 13.343 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.735 -2.006 12.461 1.00 0.00 H new ATOM 751 N GLN A 61 2.666 1.632 9.554 1.00 0.00 N ATOM 752 CA GLN A 61 3.403 2.265 8.419 1.00 0.00 C ATOM 753 C GLN A 61 4.281 1.271 7.665 1.00 0.00 C ATOM 754 O GLN A 61 5.024 0.512 8.256 1.00 0.00 O ATOM 755 CB GLN A 61 4.276 3.389 8.989 1.00 0.00 C ATOM 756 CG GLN A 61 5.087 4.029 7.857 1.00 0.00 C ATOM 757 CD GLN A 61 6.435 3.313 7.748 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.684 2.595 6.688 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.270 3.396 8.627 1.00 0.00 N flip ATOM 0 H GLN A 61 2.654 2.182 10.413 1.00 0.00 H new ATOM 0 HA GLN A 61 2.673 2.648 7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.651 4.140 9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.946 2.992 9.752 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.543 3.955 6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.239 5.090 8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.081 3.956 9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.160 2.906 8.533 1.00 0.00 H new ATOM 768 N LEU A 62 4.167 1.305 6.365 1.00 0.00 N ATOM 769 CA LEU A 62 4.993 0.381 5.543 1.00 0.00 C ATOM 770 C LEU A 62 5.325 0.945 4.158 1.00 0.00 C ATOM 771 O LEU A 62 4.582 1.698 3.557 1.00 0.00 O ATOM 772 CB LEU A 62 4.260 -0.951 5.359 1.00 0.00 C ATOM 773 CG LEU A 62 5.301 -2.001 4.928 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.105 -2.436 6.159 1.00 0.00 C ATOM 775 CD2 LEU A 62 4.596 -3.227 4.342 1.00 0.00 C ATOM 0 H LEU A 62 3.546 1.924 5.844 1.00 0.00 H new ATOM 0 HA LEU A 62 5.930 0.244 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.774 -1.252 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.477 -0.856 4.606 1.00 0.00 H new ATOM 0 HG LEU A 62 5.959 -1.568 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.846 -3.180 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.610 -1.571 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.432 -2.867 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.340 -3.964 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.938 -3.662 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.008 -2.928 3.474 1.00 0.00 H new ATOM 787 N VAL A 63 6.534 0.632 3.791 1.00 0.00 N ATOM 788 CA VAL A 63 7.096 1.006 2.462 1.00 0.00 C ATOM 789 C VAL A 63 8.319 0.109 2.240 1.00 0.00 C ATOM 790 O VAL A 63 9.368 0.349 2.804 1.00 0.00 O ATOM 791 CB VAL A 63 7.436 2.504 2.467 1.00 0.00 C ATOM 792 CG1 VAL A 63 8.147 2.874 3.773 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.361 2.835 1.291 1.00 0.00 C ATOM 0 H VAL A 63 7.182 0.111 4.382 1.00 0.00 H new ATOM 0 HA VAL A 63 6.394 0.854 1.642 1.00 0.00 H new ATOM 0 HB VAL A 63 6.509 3.071 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.385 3.938 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.495 2.651 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.067 2.297 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.597 3.899 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.282 2.258 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.863 2.584 0.355 1.00 0.00 H new ATOM 803 N GLU A 64 8.176 -0.910 1.434 1.00 0.00 N ATOM 804 CA GLU A 64 9.331 -1.826 1.227 1.00 0.00 C ATOM 805 C GLU A 64 10.231 -1.383 0.074 1.00 0.00 C ATOM 806 O GLU A 64 10.485 -0.210 -0.110 1.00 0.00 O ATOM 807 CB GLU A 64 8.783 -3.232 0.958 1.00 0.00 C ATOM 808 CG GLU A 64 7.776 -3.597 2.058 1.00 0.00 C ATOM 809 CD GLU A 64 8.445 -3.468 3.431 1.00 0.00 C ATOM 810 OE1 GLU A 64 9.003 -4.467 3.855 1.00 0.00 O ATOM 811 OE2 GLU A 64 8.361 -2.378 3.975 1.00 0.00 O ATOM 0 H GLU A 64 7.326 -1.143 0.920 1.00 0.00 H new ATOM 0 HA GLU A 64 9.949 -1.812 2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.302 -3.267 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.598 -3.956 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.908 -2.941 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.416 -4.615 1.912 1.00 0.00 H new ATOM 818 N SER A 65 10.696 -2.354 -0.666 1.00 0.00 N ATOM 819 CA SER A 65 11.608 -2.068 -1.813 1.00 0.00 C ATOM 820 C SER A 65 12.237 -3.365 -2.327 1.00 0.00 C ATOM 821 O SER A 65 13.330 -3.362 -2.858 1.00 0.00 O ATOM 822 CB SER A 65 12.733 -1.144 -1.336 1.00 0.00 C ATOM 823 OG SER A 65 13.211 -1.767 -0.150 1.00 0.00 O ATOM 0 H SER A 65 10.482 -3.341 -0.524 1.00 0.00 H new ATOM 0 HA SER A 65 11.034 -1.600 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.520 -1.054 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.365 -0.137 -1.138 1.00 0.00 H new ATOM 0 HG SER A 65 13.056 -2.733 -0.203 1.00 0.00 H new ATOM 829 N ASN A 66 11.529 -4.449 -2.160 1.00 0.00 N ATOM 830 CA ASN A 66 12.072 -5.760 -2.618 1.00 0.00 C ATOM 831 C ASN A 66 11.150 -6.353 -3.684 1.00 0.00 C ATOM 832 O ASN A 66 11.395 -6.204 -4.864 1.00 0.00 O ATOM 833 CB ASN A 66 12.157 -6.678 -1.397 1.00 0.00 C ATOM 834 CG ASN A 66 13.008 -5.983 -0.327 1.00 0.00 C ATOM 835 OD1 ASN A 66 13.042 -4.771 -0.230 1.00 0.00 O ATOM 836 ND2 ASN A 66 13.708 -6.716 0.495 1.00 0.00 N ATOM 0 H ASN A 66 10.605 -4.484 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 66 13.061 -5.642 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.160 -6.888 -1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.601 -7.635 -1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.280 -6.272 1.214 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.684 -7.733 0.419 1.00 0.00 H new ATOM 843 N ARG A 67 10.089 -6.980 -3.253 1.00 0.00 N ATOM 844 CA ARG A 67 9.134 -7.562 -4.240 1.00 0.00 C ATOM 845 C ARG A 67 8.005 -6.552 -4.457 1.00 0.00 C ATOM 846 O ARG A 67 7.071 -6.778 -5.202 1.00 0.00 O ATOM 847 CB ARG A 67 8.559 -8.863 -3.671 1.00 0.00 C ATOM 848 CG ARG A 67 9.710 -9.814 -3.318 1.00 0.00 C ATOM 849 CD ARG A 67 10.453 -10.202 -4.601 1.00 0.00 C ATOM 850 NE ARG A 67 11.540 -11.155 -4.235 1.00 0.00 N ATOM 851 CZ ARG A 67 12.783 -10.823 -4.450 1.00 0.00 C ATOM 852 NH1 ARG A 67 13.481 -11.513 -5.310 1.00 0.00 N ATOM 853 NH2 ARG A 67 13.288 -9.812 -3.796 1.00 0.00 N ATOM 0 H ARG A 67 9.844 -7.114 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 67 9.635 -7.775 -5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.961 -8.653 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.896 -9.330 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.394 -9.333 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.323 -10.705 -2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.768 -10.661 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.869 -9.317 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 67 11.313 -12.059 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.053 -12.298 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.454 -11.268 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.712 -9.297 -3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.258 -9.538 -3.951 1.00 0.00 H new ATOM 867 N THR A 68 8.129 -5.441 -3.784 1.00 0.00 N ATOM 868 CA THR A 68 7.092 -4.390 -3.912 1.00 0.00 C ATOM 869 C THR A 68 7.743 -3.050 -4.253 1.00 0.00 C ATOM 870 O THR A 68 8.783 -2.692 -3.736 1.00 0.00 O ATOM 871 CB THR A 68 6.337 -4.279 -2.574 1.00 0.00 C ATOM 872 OG1 THR A 68 6.961 -3.205 -1.885 1.00 0.00 O ATOM 873 CG2 THR A 68 6.623 -5.492 -1.681 1.00 0.00 C ATOM 0 H THR A 68 8.901 -5.220 -3.155 1.00 0.00 H new ATOM 0 HA THR A 68 6.398 -4.652 -4.711 1.00 0.00 H new ATOM 0 HB THR A 68 5.269 -4.176 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.431 -2.972 -1.095 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.078 -5.389 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.302 -6.402 -2.189 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.692 -5.549 -1.476 1.00 0.00 H new ATOM 881 N ARG A 69 7.088 -2.354 -5.135 1.00 0.00 N ATOM 882 CA ARG A 69 7.561 -1.011 -5.554 1.00 0.00 C ATOM 883 C ARG A 69 6.671 -0.047 -4.783 1.00 0.00 C ATOM 884 O ARG A 69 5.557 0.221 -5.186 1.00 0.00 O ATOM 885 CB ARG A 69 7.321 -0.815 -7.057 1.00 0.00 C ATOM 886 CG ARG A 69 7.758 -2.061 -7.824 1.00 0.00 C ATOM 887 CD ARG A 69 9.284 -2.141 -7.823 1.00 0.00 C ATOM 888 NE ARG A 69 9.673 -3.465 -8.385 1.00 0.00 N ATOM 889 CZ ARG A 69 9.953 -4.435 -7.560 1.00 0.00 C ATOM 890 NH1 ARG A 69 11.199 -4.667 -7.254 1.00 0.00 N ATOM 891 NH2 ARG A 69 8.975 -5.128 -7.048 1.00 0.00 N ATOM 0 H ARG A 69 6.230 -2.665 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 69 8.624 -0.867 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.265 -0.616 -7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.876 0.053 -7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.335 -2.954 -7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.384 -2.023 -8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.709 -1.334 -8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.671 -2.027 -6.811 1.00 0.00 H new ATOM 0 HE ARG A 69 9.719 -3.609 -9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.939 -4.093 -7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.434 -5.422 -6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.010 -4.908 -7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.175 -5.891 -6.401 1.00 0.00 H new ATOM 905 N ILE A 70 7.129 0.366 -3.636 1.00 0.00 N ATOM 906 CA ILE A 70 6.297 1.309 -2.843 1.00 0.00 C ATOM 907 C ILE A 70 6.614 2.734 -3.257 1.00 0.00 C ATOM 908 O ILE A 70 7.492 3.363 -2.702 1.00 0.00 O ATOM 909 CB ILE A 70 6.621 1.159 -1.364 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.081 0.695 -1.160 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.709 0.094 -0.754 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.071 1.641 -1.851 1.00 0.00 C ATOM 0 H ILE A 70 8.022 0.099 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 70 5.245 1.088 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 70 6.475 2.129 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.304 0.648 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.202 -0.313 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.938 -0.017 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.668 0.396 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.870 -0.857 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.088 1.286 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.863 1.667 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.966 2.644 -1.436 1.00 0.00 H new ATOM 924 N THR A 71 5.882 3.259 -4.197 1.00 0.00 N ATOM 925 CA THR A 71 6.227 4.641 -4.585 1.00 0.00 C ATOM 926 C THR A 71 5.426 5.613 -3.713 1.00 0.00 C ATOM 927 O THR A 71 4.329 5.311 -3.281 1.00 0.00 O ATOM 928 CB THR A 71 5.900 4.870 -6.054 1.00 0.00 C ATOM 929 OG1 THR A 71 4.503 5.086 -6.028 1.00 0.00 O ATOM 930 CG2 THR A 71 6.074 3.583 -6.868 1.00 0.00 C ATOM 0 H THR A 71 5.104 2.818 -4.687 1.00 0.00 H new ATOM 0 HA THR A 71 7.294 4.807 -4.439 1.00 0.00 H new ATOM 0 HB THR A 71 6.521 5.658 -6.480 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.047 4.250 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.833 3.778 -7.913 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.106 3.241 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.407 2.814 -6.479 1.00 0.00 H new ATOM 938 N GLY A 72 6.024 6.743 -3.460 1.00 0.00 N ATOM 939 CA GLY A 72 5.369 7.793 -2.625 1.00 0.00 C ATOM 940 C GLY A 72 3.952 8.158 -3.089 1.00 0.00 C ATOM 941 O GLY A 72 3.432 9.188 -2.709 1.00 0.00 O ATOM 0 H GLY A 72 6.953 6.989 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.326 7.448 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.987 8.691 -2.635 1.00 0.00 H new ATOM 945 N GLU A 73 3.376 7.362 -3.945 1.00 0.00 N ATOM 946 CA GLU A 73 1.984 7.648 -4.396 1.00 0.00 C ATOM 947 C GLU A 73 1.212 6.347 -4.667 1.00 0.00 C ATOM 948 O GLU A 73 0.002 6.297 -4.561 1.00 0.00 O ATOM 949 CB GLU A 73 2.050 8.489 -5.678 1.00 0.00 C ATOM 950 CG GLU A 73 3.163 7.943 -6.582 1.00 0.00 C ATOM 951 CD GLU A 73 3.207 8.770 -7.870 1.00 0.00 C ATOM 952 OE1 GLU A 73 3.479 9.953 -7.744 1.00 0.00 O ATOM 953 OE2 GLU A 73 2.966 8.171 -8.906 1.00 0.00 O ATOM 0 H GLU A 73 3.805 6.530 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 73 1.459 8.191 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.093 8.456 -6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.244 9.533 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.124 7.993 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.980 6.894 -6.814 1.00 0.00 H new ATOM 960 N GLU A 74 1.919 5.297 -4.986 1.00 0.00 N ATOM 961 CA GLU A 74 1.206 4.028 -5.290 1.00 0.00 C ATOM 962 C GLU A 74 2.072 2.867 -4.835 1.00 0.00 C ATOM 963 O GLU A 74 3.272 2.894 -5.005 1.00 0.00 O ATOM 964 CB GLU A 74 1.005 3.907 -6.808 1.00 0.00 C ATOM 965 CG GLU A 74 0.599 5.261 -7.397 1.00 0.00 C ATOM 966 CD GLU A 74 0.683 5.169 -8.924 1.00 0.00 C ATOM 967 OE1 GLU A 74 -0.143 4.452 -9.464 1.00 0.00 O ATOM 968 OE2 GLU A 74 1.566 5.818 -9.459 1.00 0.00 O ATOM 0 H GLU A 74 2.937 5.263 -5.048 1.00 0.00 H new ATOM 0 HA GLU A 74 0.242 4.018 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.925 3.559 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.237 3.164 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.413 5.521 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.257 6.048 -7.028 1.00 0.00 H new ATOM 975 N VAL A 75 1.451 1.870 -4.287 1.00 0.00 N ATOM 976 CA VAL A 75 2.251 0.706 -3.833 1.00 0.00 C ATOM 977 C VAL A 75 1.923 -0.470 -4.724 1.00 0.00 C ATOM 978 O VAL A 75 0.779 -0.866 -4.823 1.00 0.00 O ATOM 979 CB VAL A 75 1.894 0.394 -2.395 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.379 -1.015 -2.033 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.623 1.406 -1.537 1.00 0.00 C ATOM 0 H VAL A 75 0.444 1.807 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 75 3.318 0.921 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 75 0.816 0.440 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.120 -1.234 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.902 -1.744 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.461 -1.070 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.397 1.222 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.697 1.314 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.301 2.412 -1.807 1.00 0.00 H new ATOM 991 N GLU A 76 2.932 -0.940 -5.400 1.00 0.00 N ATOM 992 CA GLU A 76 2.713 -2.107 -6.305 1.00 0.00 C ATOM 993 C GLU A 76 3.475 -3.348 -5.818 1.00 0.00 C ATOM 994 O GLU A 76 4.686 -3.348 -5.811 1.00 0.00 O ATOM 995 CB GLU A 76 3.216 -1.726 -7.699 1.00 0.00 C ATOM 996 CG GLU A 76 2.812 -0.275 -8.005 1.00 0.00 C ATOM 997 CD GLU A 76 3.325 0.096 -9.399 1.00 0.00 C ATOM 998 OE1 GLU A 76 3.083 -0.714 -10.277 1.00 0.00 O ATOM 999 OE2 GLU A 76 3.922 1.155 -9.499 1.00 0.00 O ATOM 0 H GLU A 76 3.884 -0.576 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 76 1.651 -2.350 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.300 -1.832 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.795 -2.398 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.728 -0.168 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.230 0.399 -7.257 1.00 0.00 H new ATOM 1006 N VAL A 77 2.764 -4.377 -5.437 1.00 0.00 N ATOM 1007 CA VAL A 77 3.440 -5.626 -4.967 1.00 0.00 C ATOM 1008 C VAL A 77 3.310 -6.590 -6.148 1.00 0.00 C ATOM 1009 O VAL A 77 2.207 -6.917 -6.534 1.00 0.00 O ATOM 1010 CB VAL A 77 2.707 -6.190 -3.714 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.750 -6.555 -2.658 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.778 -5.118 -3.127 1.00 0.00 C ATOM 0 H VAL A 77 1.744 -4.408 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 77 4.478 -5.464 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 77 2.123 -7.065 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.250 -6.952 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.427 -7.308 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.318 -5.666 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.268 -5.519 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.365 -4.246 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.040 -4.827 -3.875 1.00 0.00 H new ATOM 1022 N ARG A 78 4.412 -7.042 -6.683 1.00 0.00 N ATOM 1023 CA ARG A 78 4.318 -7.932 -7.880 1.00 0.00 C ATOM 1024 C ARG A 78 4.617 -9.377 -7.520 1.00 0.00 C ATOM 1025 O ARG A 78 5.433 -10.035 -8.135 1.00 0.00 O ATOM 1026 CB ARG A 78 5.324 -7.437 -8.915 1.00 0.00 C ATOM 1027 CG ARG A 78 4.633 -6.377 -9.764 1.00 0.00 C ATOM 1028 CD ARG A 78 4.082 -5.276 -8.852 1.00 0.00 C ATOM 1029 NE ARG A 78 3.578 -4.168 -9.714 1.00 0.00 N ATOM 1030 CZ ARG A 78 2.446 -4.308 -10.351 1.00 0.00 C ATOM 1031 NH1 ARG A 78 1.860 -5.474 -10.364 1.00 0.00 N ATOM 1032 NH2 ARG A 78 1.933 -3.273 -10.960 1.00 0.00 N ATOM 0 H ARG A 78 5.356 -6.840 -6.353 1.00 0.00 H new ATOM 0 HA ARG A 78 3.303 -7.897 -8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.204 -7.020 -8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.668 -8.262 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.337 -5.953 -10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.824 -6.827 -10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.279 -5.666 -8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.861 -4.912 -8.181 1.00 0.00 H new ATOM 0 HE ARG A 78 4.114 -3.305 -9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.286 -6.264 -9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.976 -5.595 -10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.415 -2.375 -10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.050 -3.363 -11.463 1.00 0.00 H new ATOM 1046 N ASP A 79 3.929 -9.830 -6.514 1.00 0.00 N ATOM 1047 CA ASP A 79 4.153 -11.220 -6.055 1.00 0.00 C ATOM 1048 C ASP A 79 2.978 -11.668 -5.198 1.00 0.00 C ATOM 1049 O ASP A 79 2.587 -12.816 -5.211 1.00 0.00 O ATOM 1050 CB ASP A 79 5.448 -11.257 -5.230 1.00 0.00 C ATOM 1051 CG ASP A 79 5.889 -12.706 -4.989 1.00 0.00 C ATOM 1052 OD1 ASP A 79 5.217 -13.586 -5.503 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.885 -12.848 -4.300 1.00 0.00 O ATOM 0 H ASP A 79 3.228 -9.302 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 79 4.240 -11.891 -6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.235 -10.713 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.293 -10.754 -4.275 1.00 0.00 H new ATOM 1058 N SER A 80 2.421 -10.723 -4.487 1.00 0.00 N ATOM 1059 CA SER A 80 1.301 -11.061 -3.565 1.00 0.00 C ATOM 1060 C SER A 80 1.842 -12.160 -2.640 1.00 0.00 C ATOM 1061 O SER A 80 1.786 -13.338 -2.932 1.00 0.00 O ATOM 1062 CB SER A 80 0.072 -11.520 -4.382 1.00 0.00 C ATOM 1063 OG SER A 80 0.104 -12.938 -4.357 1.00 0.00 O ATOM 0 H SER A 80 2.692 -9.740 -4.505 1.00 0.00 H new ATOM 0 HA SER A 80 0.966 -10.209 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.852 -11.141 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.119 -11.145 -5.404 1.00 0.00 H new ATOM 0 HG SER A 80 -0.664 -13.291 -4.853 1.00 0.00 H new ATOM 1069 N ILE A 81 2.379 -11.721 -1.537 1.00 0.00 N ATOM 1070 CA ILE A 81 2.981 -12.679 -0.567 1.00 0.00 C ATOM 1071 C ILE A 81 2.382 -12.383 0.799 1.00 0.00 C ATOM 1072 O ILE A 81 1.818 -11.326 0.982 1.00 0.00 O ATOM 1073 CB ILE A 81 4.500 -12.440 -0.545 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.774 -10.932 -0.680 1.00 0.00 C ATOM 1075 CG2 ILE A 81 5.125 -13.170 -1.738 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.256 -10.669 -0.400 1.00 0.00 C ATOM 0 H ILE A 81 2.428 -10.739 -1.264 1.00 0.00 H new ATOM 0 HA ILE A 81 2.783 -13.715 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 81 4.926 -12.809 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.513 -10.590 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.153 -10.372 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.203 -13.011 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.916 -14.237 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.701 -12.782 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.460 -9.602 -0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.499 -10.998 0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.865 -11.219 -1.117 1.00 0.00 H new ATOM 1088 N PRO A 82 2.531 -13.292 1.727 1.00 0.00 N ATOM 1089 CA PRO A 82 2.016 -13.106 3.103 1.00 0.00 C ATOM 1090 C PRO A 82 2.078 -11.637 3.536 1.00 0.00 C ATOM 1091 O PRO A 82 1.222 -11.153 4.249 1.00 0.00 O ATOM 1092 CB PRO A 82 2.910 -14.008 3.960 1.00 0.00 C ATOM 1093 CG PRO A 82 3.563 -15.037 2.983 1.00 0.00 C ATOM 1094 CD PRO A 82 3.301 -14.545 1.541 1.00 0.00 C ATOM 0 HA PRO A 82 0.963 -13.371 3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.672 -13.423 4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.327 -14.517 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.634 -15.117 3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.138 -16.029 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.233 -14.366 1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.737 -15.279 0.965 1.00 0.00 H new ATOM 1102 N ALA A 83 3.091 -10.953 3.079 1.00 0.00 N ATOM 1103 CA ALA A 83 3.233 -9.514 3.436 1.00 0.00 C ATOM 1104 C ALA A 83 1.911 -8.746 3.281 1.00 0.00 C ATOM 1105 O ALA A 83 1.538 -7.992 4.156 1.00 0.00 O ATOM 1106 CB ALA A 83 4.285 -8.888 2.518 1.00 0.00 C ATOM 0 H ALA A 83 3.824 -11.327 2.476 1.00 0.00 H new ATOM 0 HA ALA A 83 3.531 -9.450 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.402 -7.833 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.237 -9.401 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.966 -8.984 1.480 1.00 0.00 H new ATOM 1112 N ASP A 84 1.219 -9.012 2.206 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.059 -8.306 1.917 1.00 0.00 C ATOM 1114 C ASP A 84 -1.256 -8.947 2.627 1.00 0.00 C ATOM 1115 O ASP A 84 -2.332 -9.073 2.077 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.239 -8.341 0.401 1.00 0.00 C ATOM 1117 CG ASP A 84 1.124 -8.001 -0.206 1.00 0.00 C ATOM 1118 OD1 ASP A 84 1.548 -6.894 0.079 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.675 -8.885 -0.841 1.00 0.00 O ATOM 0 H ASP A 84 1.492 -9.701 1.505 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.014 -7.283 2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.575 -9.324 0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.995 -7.623 0.083 1.00 0.00 H new ATOM 1124 N SER A 85 -0.994 -9.422 3.811 1.00 0.00 N ATOM 1125 CA SER A 85 -2.065 -10.027 4.652 1.00 0.00 C ATOM 1126 C SER A 85 -2.586 -9.006 5.677 1.00 0.00 C ATOM 1127 O SER A 85 -2.307 -9.132 6.854 1.00 0.00 O ATOM 1128 CB SER A 85 -1.458 -11.211 5.396 1.00 0.00 C ATOM 1129 OG SER A 85 -0.348 -10.626 6.062 1.00 0.00 O ATOM 0 H SER A 85 -0.068 -9.417 4.239 1.00 0.00 H new ATOM 0 HA SER A 85 -2.897 -10.341 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.165 -11.653 6.098 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.149 -12.003 4.714 1.00 0.00 H new ATOM 0 HG SER A 85 0.478 -10.866 5.593 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.324 -8.016 5.246 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.823 -7.027 6.248 1.00 0.00 C ATOM 1137 C GLY A 86 -4.368 -5.758 5.586 1.00 0.00 C ATOM 1138 O GLY A 86 -4.672 -5.738 4.410 1.00 0.00 O ATOM 0 H GLY A 86 -3.596 -7.851 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.607 -7.486 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.014 -6.761 6.928 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.484 -4.701 6.346 1.00 0.00 N ATOM 1143 CA LEU A 87 -5.021 -3.460 5.728 1.00 0.00 C ATOM 1144 C LEU A 87 -3.889 -2.514 5.336 1.00 0.00 C ATOM 1145 O LEU A 87 -2.999 -2.236 6.113 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.943 -2.762 6.734 1.00 0.00 C ATOM 1147 CG LEU A 87 -7.373 -3.283 6.553 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.448 -4.738 7.031 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -8.318 -2.433 7.408 1.00 0.00 C ATOM 0 H LEU A 87 -4.239 -4.644 7.334 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.575 -3.726 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.600 -2.951 7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.915 -1.683 6.583 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.657 -3.225 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.464 -5.111 6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.761 -5.349 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.172 -4.790 8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.340 -2.793 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.027 -2.508 8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.260 -1.392 7.089 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.952 -2.052 4.118 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.929 -1.099 3.627 1.00 0.00 C ATOM 1163 C TYR A 88 -3.589 0.264 3.652 1.00 0.00 C ATOM 1164 O TYR A 88 -4.319 0.641 2.758 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.551 -1.434 2.197 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.351 -2.374 2.220 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.549 -3.729 2.322 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -0.067 -1.883 2.116 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.482 -4.597 2.305 1.00 0.00 C ATOM 1170 CE2 TYR A 88 1.007 -2.746 2.108 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.809 -4.111 2.197 1.00 0.00 C ATOM 1172 OH TYR A 88 1.891 -4.967 2.164 1.00 0.00 O ATOM 0 H TYR A 88 -4.674 -2.298 3.441 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.028 -1.136 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.390 -1.904 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.309 -0.525 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.552 -4.117 2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.098 -0.818 2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.652 -5.661 2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.010 -2.353 2.032 1.00 0.00 H new ATOM 0 HH TYR A 88 1.774 -5.615 1.438 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.361 0.959 4.721 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.975 2.306 4.815 1.00 0.00 C ATOM 1184 C ALA A 89 -2.917 3.278 4.315 1.00 0.00 C ATOM 1185 O ALA A 89 -1.799 3.289 4.787 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.330 2.593 6.271 1.00 0.00 C ATOM 0 H ALA A 89 -2.792 0.666 5.516 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.890 2.391 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.782 3.582 6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.036 1.843 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.426 2.559 6.879 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.285 4.077 3.361 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.289 5.024 2.807 1.00 0.00 C ATOM 1194 C CYS A 90 -2.433 6.372 3.478 1.00 0.00 C ATOM 1195 O CYS A 90 -3.495 6.958 3.446 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.526 5.203 1.321 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.353 6.286 0.472 1.00 0.00 S ATOM 0 H CYS A 90 -4.216 4.116 2.946 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.291 4.624 2.983 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.499 4.223 0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.531 5.600 1.176 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.360 6.799 4.078 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.370 8.119 4.759 1.00 0.00 C ATOM 1204 C VAL A 91 -0.657 9.123 3.860 1.00 0.00 C ATOM 1205 O VAL A 91 0.547 9.067 3.704 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.612 8.033 6.083 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.171 9.088 7.042 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -0.810 6.650 6.694 1.00 0.00 C ATOM 0 H VAL A 91 -0.477 6.291 4.126 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.399 8.423 4.952 1.00 0.00 H new ATOM 0 HB VAL A 91 0.450 8.206 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.637 9.036 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.043 10.079 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.231 8.900 7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.269 6.589 7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.872 6.479 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.431 5.892 6.009 1.00 0.00 H new ATOM 1218 N THR A 92 -1.425 10.005 3.287 1.00 0.00 N ATOM 1219 CA THR A 92 -0.852 11.039 2.388 1.00 0.00 C ATOM 1220 C THR A 92 -0.640 12.250 3.285 1.00 0.00 C ATOM 1221 O THR A 92 -1.582 12.710 3.894 1.00 0.00 O ATOM 1222 CB THR A 92 -1.893 11.361 1.313 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.853 10.324 1.446 1.00 0.00 O ATOM 1224 CG2 THR A 92 -1.341 11.128 -0.083 1.00 0.00 C ATOM 0 H THR A 92 -2.437 10.053 3.406 1.00 0.00 H new ATOM 0 HA THR A 92 0.071 10.730 1.897 1.00 0.00 H new ATOM 0 HB THR A 92 -2.238 12.389 1.428 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.559 9.539 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.107 11.366 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.472 11.767 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.048 10.084 -0.189 1.00 0.00 H new ATOM 1232 N SER A 93 0.578 12.705 3.389 1.00 0.00 N ATOM 1233 CA SER A 93 0.832 13.871 4.276 1.00 0.00 C ATOM 1234 C SER A 93 1.668 14.953 3.604 1.00 0.00 C ATOM 1235 O SER A 93 2.634 14.677 2.916 1.00 0.00 O ATOM 1236 CB SER A 93 1.565 13.378 5.525 1.00 0.00 C ATOM 1237 OG SER A 93 0.558 12.684 6.245 1.00 0.00 O ATOM 0 H SER A 93 1.394 12.327 2.907 1.00 0.00 H new ATOM 0 HA SER A 93 -0.131 14.316 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.399 12.724 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.974 14.206 6.104 1.00 0.00 H new ATOM 0 HG SER A 93 0.937 12.324 7.074 1.00 0.00 H new ATOM 1243 N SER A 94 1.217 16.159 3.817 1.00 0.00 N ATOM 1244 CA SER A 94 1.903 17.360 3.275 1.00 0.00 C ATOM 1245 C SER A 94 2.053 18.348 4.435 1.00 0.00 C ATOM 1246 O SER A 94 1.243 18.357 5.344 1.00 0.00 O ATOM 1247 CB SER A 94 1.008 17.998 2.227 1.00 0.00 C ATOM 1248 OG SER A 94 0.008 18.610 3.026 1.00 0.00 O ATOM 0 H SER A 94 0.378 16.364 4.360 1.00 0.00 H new ATOM 0 HA SER A 94 2.867 17.100 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.546 18.725 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.589 17.259 1.544 1.00 0.00 H new ATOM 0 HG SER A 94 -0.765 18.835 2.467 1.00 0.00 H new ATOM 1254 N PRO A 95 3.050 19.186 4.340 1.00 0.00 N ATOM 1255 CA PRO A 95 3.384 20.148 5.413 1.00 0.00 C ATOM 1256 C PRO A 95 2.178 20.991 5.848 1.00 0.00 C ATOM 1257 O PRO A 95 2.303 21.840 6.708 1.00 0.00 O ATOM 1258 CB PRO A 95 4.485 21.036 4.824 1.00 0.00 C ATOM 1259 CG PRO A 95 4.915 20.404 3.469 1.00 0.00 C ATOM 1260 CD PRO A 95 3.929 19.263 3.149 1.00 0.00 C ATOM 0 HA PRO A 95 3.704 19.626 6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.120 22.052 4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.334 21.098 5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.903 21.153 2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.934 20.022 3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.356 19.475 2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.452 18.322 2.981 1.00 0.00 H new ATOM 1268 N SER A 96 1.036 20.749 5.257 1.00 0.00 N ATOM 1269 CA SER A 96 -0.164 21.537 5.647 1.00 0.00 C ATOM 1270 C SER A 96 -1.199 20.626 6.316 1.00 0.00 C ATOM 1271 O SER A 96 -1.804 21.000 7.302 1.00 0.00 O ATOM 1272 CB SER A 96 -0.769 22.157 4.386 1.00 0.00 C ATOM 1273 OG SER A 96 -1.833 22.958 4.878 1.00 0.00 O ATOM 0 H SER A 96 0.886 20.049 4.531 1.00 0.00 H new ATOM 0 HA SER A 96 0.123 22.317 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.037 22.755 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.129 21.392 3.698 1.00 0.00 H new ATOM 0 HG SER A 96 -2.283 23.401 4.128 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.386 19.452 5.771 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.397 18.536 6.380 1.00 0.00 C ATOM 1281 C GLY A 97 -2.167 17.082 5.964 1.00 0.00 C ATOM 1282 O GLY A 97 -1.245 16.794 5.229 1.00 0.00 O ATOM 0 H GLY A 97 -0.896 19.094 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.352 18.615 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.397 18.847 6.079 1.00 0.00 H new ATOM 1286 N SER A 98 -3.023 16.216 6.441 1.00 0.00 N ATOM 1287 CA SER A 98 -2.893 14.770 6.096 1.00 0.00 C ATOM 1288 C SER A 98 -4.253 14.153 5.742 1.00 0.00 C ATOM 1289 O SER A 98 -5.289 14.604 6.190 1.00 0.00 O ATOM 1290 CB SER A 98 -2.306 14.032 7.303 1.00 0.00 C ATOM 1291 OG SER A 98 -1.034 14.636 7.483 1.00 0.00 O ATOM 0 H SER A 98 -3.805 16.448 7.054 1.00 0.00 H new ATOM 0 HA SER A 98 -2.242 14.676 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.933 14.149 8.187 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.218 12.962 7.114 1.00 0.00 H new ATOM 0 HG SER A 98 -0.341 14.062 7.095 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.199 13.127 4.936 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.444 12.419 4.510 1.00 0.00 C ATOM 1299 C ASP A 99 -5.134 10.928 4.395 1.00 0.00 C ATOM 1300 O ASP A 99 -4.111 10.557 3.861 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.875 12.956 3.139 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.233 12.367 2.738 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -7.846 11.745 3.592 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.586 12.582 1.589 1.00 0.00 O ATOM 0 H ASP A 99 -3.336 12.744 4.550 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.243 12.580 5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.938 14.044 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.125 12.702 2.390 1.00 0.00 H new ATOM 1309 N THR A 100 -6.036 10.093 4.829 1.00 0.00 N ATOM 1310 CA THR A 100 -5.743 8.634 4.754 1.00 0.00 C ATOM 1311 C THR A 100 -6.868 7.843 4.068 1.00 0.00 C ATOM 1312 O THR A 100 -8.041 8.088 4.266 1.00 0.00 O ATOM 1313 CB THR A 100 -5.515 8.135 6.185 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.705 9.144 6.771 1.00 0.00 O ATOM 1315 CG2 THR A 100 -4.606 6.898 6.206 1.00 0.00 C ATOM 0 H THR A 100 -6.942 10.348 5.223 1.00 0.00 H new ATOM 0 HA THR A 100 -4.855 8.476 4.142 1.00 0.00 H new ATOM 0 HB THR A 100 -6.470 7.918 6.663 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.508 8.906 7.701 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.464 6.569 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.068 6.097 5.629 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.640 7.149 5.769 1.00 0.00 H new ATOM 1323 N THR A 101 -6.436 6.901 3.273 1.00 0.00 N ATOM 1324 CA THR A 101 -7.372 6.020 2.501 1.00 0.00 C ATOM 1325 C THR A 101 -7.122 4.547 2.868 1.00 0.00 C ATOM 1326 O THR A 101 -5.981 4.178 3.047 1.00 0.00 O ATOM 1327 CB THR A 101 -7.080 6.236 1.013 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.741 6.706 0.976 1.00 0.00 O ATOM 1329 CG2 THR A 101 -7.906 7.405 0.469 1.00 0.00 C ATOM 0 H THR A 101 -5.448 6.697 3.120 1.00 0.00 H new ATOM 0 HA THR A 101 -8.409 6.263 2.732 1.00 0.00 H new ATOM 0 HB THR A 101 -7.284 5.325 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.477 6.868 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.686 7.544 -0.589 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.967 7.190 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.653 8.314 1.015 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.135 3.715 2.915 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.854 2.298 3.321 1.00 0.00 C ATOM 1339 C TYR A 102 -8.056 1.214 2.253 1.00 0.00 C ATOM 1340 O TYR A 102 -9.153 0.906 1.838 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.740 1.966 4.510 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.113 2.549 5.772 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -8.002 3.914 5.921 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.664 1.717 6.774 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -7.448 4.447 7.067 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.111 2.248 7.921 1.00 0.00 C ATOM 1347 CZ TYR A 102 -6.999 3.616 8.075 1.00 0.00 C ATOM 1348 OH TYR A 102 -6.446 4.146 9.223 1.00 0.00 O ATOM 0 H TYR A 102 -9.106 3.940 2.700 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.786 2.275 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.739 2.376 4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.850 0.886 4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.350 4.570 5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.745 0.646 6.661 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.365 5.518 7.176 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.763 1.590 8.704 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.185 3.419 9.826 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.960 0.618 1.882 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.960 -0.473 0.875 1.00 0.00 C ATOM 1360 C PHE A 103 -6.851 -1.805 1.608 1.00 0.00 C ATOM 1361 O PHE A 103 -5.822 -2.104 2.175 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.710 -0.357 0.000 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.604 1.043 -0.592 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.451 2.147 0.224 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.671 1.207 -1.958 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.375 3.409 -0.324 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.596 2.469 -2.509 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.452 3.569 -1.689 1.00 0.00 C ATOM 0 H PHE A 103 -6.037 0.851 2.248 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.868 -0.408 0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.822 -0.576 0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.749 -1.095 -0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.391 2.021 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.783 0.345 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.255 4.271 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -5.650 2.596 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.400 4.558 -2.119 1.00 0.00 H new ATOM 1378 N SER A 104 -7.885 -2.594 1.635 1.00 0.00 N ATOM 1379 CA SER A 104 -7.697 -3.890 2.339 1.00 0.00 C ATOM 1380 C SER A 104 -6.966 -4.789 1.344 1.00 0.00 C ATOM 1381 O SER A 104 -7.434 -4.991 0.244 1.00 0.00 O ATOM 1382 CB SER A 104 -9.063 -4.476 2.686 1.00 0.00 C ATOM 1383 OG SER A 104 -9.739 -3.394 3.309 1.00 0.00 O ATOM 0 H SER A 104 -8.802 -2.415 1.226 1.00 0.00 H new ATOM 0 HA SER A 104 -7.136 -3.786 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.590 -4.820 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.974 -5.332 3.355 1.00 0.00 H new ATOM 0 HG SER A 104 -10.460 -3.079 2.725 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.820 -5.295 1.699 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.122 -6.164 0.713 1.00 0.00 C ATOM 1391 C VAL A 105 -4.837 -7.503 1.377 1.00 0.00 C ATOM 1392 O VAL A 105 -4.270 -7.586 2.449 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.820 -5.497 0.242 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.918 -3.985 0.463 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.636 -6.066 1.016 1.00 0.00 C ATOM 0 H VAL A 105 -5.350 -5.153 2.593 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.749 -6.317 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.671 -5.697 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.996 -3.508 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.758 -3.588 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.070 -3.781 1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.717 -5.589 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.772 -5.876 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.572 -7.140 0.844 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.298 -8.525 0.722 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.090 -9.890 1.279 1.00 0.00 C ATOM 1407 C ASN A 106 -4.519 -10.852 0.243 1.00 0.00 C ATOM 1408 O ASN A 106 -5.105 -11.099 -0.791 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.428 -10.408 1.789 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.561 -9.608 1.144 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -8.153 -10.103 0.093 1.00 0.00 O flip ATOM 1412 ND2 ASN A 106 -7.911 -8.531 1.583 1.00 0.00 N flip ATOM 0 H ASN A 106 -5.803 -8.480 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.364 -9.829 2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.535 -11.467 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.476 -10.318 2.874 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.450 -8.141 2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.666 -8.016 1.130 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.361 -11.362 0.551 1.00 0.00 N ATOM 1420 CA VAL A 107 -2.697 -12.323 -0.376 1.00 0.00 C ATOM 1421 C VAL A 107 -3.235 -13.752 -0.194 1.00 0.00 C ATOM 1422 O VAL A 107 -2.514 -14.654 0.184 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.198 -12.281 -0.064 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -1.002 -12.653 1.412 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -0.450 -13.280 -0.956 1.00 0.00 C ATOM 0 H VAL A 107 -2.843 -11.156 1.405 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.898 -12.041 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.804 -11.283 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.060 -12.629 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.534 -11.939 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.392 -13.655 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.615 -13.244 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.827 -14.286 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.606 -13.021 -2.003 1.00 0.00 H new ATOM 1435 N SER A 108 -4.502 -13.944 -0.450 1.00 0.00 N ATOM 1436 CA SER A 108 -5.056 -15.313 -0.289 1.00 0.00 C ATOM 1437 C SER A 108 -6.369 -15.478 -1.052 1.00 0.00 C ATOM 1438 O SER A 108 -6.961 -14.521 -1.511 1.00 0.00 O ATOM 1439 CB SER A 108 -5.297 -15.579 1.196 1.00 0.00 C ATOM 1440 OG SER A 108 -5.758 -16.921 1.217 1.00 0.00 O ATOM 0 H SER A 108 -5.161 -13.229 -0.756 1.00 0.00 H new ATOM 0 HA SER A 108 -4.338 -16.026 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.384 -15.458 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.035 -14.894 1.613 1.00 0.00 H new ATOM 0 HG SER A 108 -5.941 -17.189 2.142 1.00 0.00 H new TER 1446 SER A 108