USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 602 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 8 CYS SG : rot -81:sc= -4.24! USER MOD Set 1.2: A 9 ASN :FLIP amide:sc= -1.49 F(o=-6.5,f=-5.7) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.141 (180deg=-0.747) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.688 (180deg=0.599) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.652 X(o=-0.65,f=-0.77) USER MOD Single : A 20 SER OG : rot 4:sc= -0.438 USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -0.148 (180deg=-1.21) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0.448 (180deg=0.217) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0147 USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= 0.117 (180deg=-0.499) USER MOD Single : A 38 THR OG1 : rot 98:sc= 1.33 USER MOD Single : A 39 MET CE :methyl -161:sc= -0.0346 (180deg=-0.373) USER MOD Single : A 46 THR OG1 : rot -74:sc= 0.684 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 85:sc= 1.1 USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= 0.555 (180deg=0.241) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= -0.0103 (180deg=-0.189) USER MOD Single : A 66 THR OG1 : rot -35:sc= -0.794 USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= 2.51 (180deg=2.29) USER MOD Single : A 71 LYS NZ :NH3+ 135:sc= 1 (180deg=-0.893) USER MOD Single : A 74 SER OG : rot 180:sc= -0.162 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.557 -17.291 -1.654 1.00 0.00 N ATOM 2 CA MET A 1 -12.065 -16.690 -2.910 1.00 0.00 C ATOM 3 C MET A 1 -10.922 -16.397 -3.872 1.00 0.00 C ATOM 4 O MET A 1 -11.109 -15.686 -4.859 1.00 0.00 O ATOM 5 CB MET A 1 -12.832 -15.398 -2.612 1.00 0.00 C ATOM 6 CG MET A 1 -14.072 -15.603 -1.755 1.00 0.00 C ATOM 7 SD MET A 1 -14.996 -14.076 -1.490 1.00 0.00 S ATOM 8 CE MET A 1 -15.477 -13.668 -3.167 1.00 0.00 C ATOM 0 H1 MET A 1 -12.357 -17.513 -1.027 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.035 -18.164 -1.873 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.922 -16.618 -1.179 1.00 0.00 H new ATOM 0 HA MET A 1 -12.740 -17.408 -3.377 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.165 -14.699 -2.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.126 -14.935 -3.554 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.721 -16.337 -2.232 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.778 -16.017 -0.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.345 -13.010 -3.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.652 -13.164 -3.670 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.727 -14.582 -3.706 1.00 0.00 H new ATOM 20 N SER A 2 -9.753 -16.978 -3.587 1.00 0.00 N ATOM 21 CA SER A 2 -8.539 -16.768 -4.379 1.00 0.00 C ATOM 22 C SER A 2 -7.993 -15.350 -4.209 1.00 0.00 C ATOM 23 O SER A 2 -8.746 -14.376 -4.208 1.00 0.00 O ATOM 24 CB SER A 2 -8.785 -17.078 -5.861 1.00 0.00 C ATOM 25 OG SER A 2 -9.225 -18.419 -6.032 1.00 0.00 O ATOM 0 H SER A 2 -9.622 -17.610 -2.797 1.00 0.00 H new ATOM 0 HA SER A 2 -7.786 -17.461 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.532 -16.392 -6.261 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.868 -16.917 -6.428 1.00 0.00 H new ATOM 0 HG SER A 2 -9.377 -18.594 -6.984 1.00 0.00 H new ATOM 31 N ILE A 3 -6.667 -15.273 -4.058 1.00 0.00 N ATOM 32 CA ILE A 3 -5.921 -14.025 -3.874 1.00 0.00 C ATOM 33 C ILE A 3 -6.638 -13.016 -2.984 1.00 0.00 C ATOM 34 O ILE A 3 -6.856 -11.864 -3.365 1.00 0.00 O ATOM 35 CB ILE A 3 -5.511 -13.363 -5.215 1.00 0.00 C ATOM 36 CG1 ILE A 3 -6.721 -13.140 -6.121 1.00 0.00 C ATOM 37 CG2 ILE A 3 -4.471 -14.218 -5.922 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.470 -12.149 -7.234 1.00 0.00 C ATOM 0 H ILE A 3 -6.068 -16.098 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.011 -14.327 -3.356 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.080 -12.387 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.019 -14.094 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.557 -12.790 -5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.189 -13.745 -6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.590 -14.318 -5.288 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.887 -15.205 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.372 -12.042 -7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.201 -11.183 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.655 -12.507 -7.863 1.00 0.00 H new ATOM 50 N GLU A 4 -7.003 -13.454 -1.787 1.00 0.00 N ATOM 51 CA GLU A 4 -7.515 -12.539 -0.784 1.00 0.00 C ATOM 52 C GLU A 4 -6.362 -11.803 -0.141 1.00 0.00 C ATOM 53 O GLU A 4 -5.834 -12.209 0.895 1.00 0.00 O ATOM 54 CB GLU A 4 -8.337 -13.272 0.268 1.00 0.00 C ATOM 55 CG GLU A 4 -9.692 -13.697 -0.246 1.00 0.00 C ATOM 56 CD GLU A 4 -10.421 -14.604 0.720 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.637 -14.190 1.878 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.774 -15.739 0.331 1.00 0.00 O ATOM 0 H GLU A 4 -6.954 -14.429 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.176 -11.822 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.788 -14.151 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.468 -12.626 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.299 -12.812 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.570 -14.211 -1.200 1.00 0.00 H new ATOM 65 N VAL A 5 -5.966 -10.728 -0.786 1.00 0.00 N ATOM 66 CA VAL A 5 -4.809 -9.969 -0.360 1.00 0.00 C ATOM 67 C VAL A 5 -5.167 -9.085 0.821 1.00 0.00 C ATOM 68 O VAL A 5 -6.077 -8.259 0.741 1.00 0.00 O ATOM 69 CB VAL A 5 -4.248 -9.092 -1.493 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.814 -8.704 -1.187 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.340 -9.801 -2.836 1.00 0.00 C ATOM 0 H VAL A 5 -6.432 -10.357 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.042 -10.688 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.852 -8.187 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.425 -8.083 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.780 -8.146 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.205 -9.604 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.936 -9.156 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.767 -10.728 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.383 -10.028 -3.057 1.00 0.00 H new ATOM 81 N ARG A 6 -4.460 -9.282 1.921 1.00 0.00 N ATOM 82 CA ARG A 6 -4.707 -8.527 3.136 1.00 0.00 C ATOM 83 C ARG A 6 -3.416 -7.879 3.617 1.00 0.00 C ATOM 84 O ARG A 6 -2.327 -8.391 3.356 1.00 0.00 O ATOM 85 CB ARG A 6 -5.281 -9.443 4.215 1.00 0.00 C ATOM 86 CG ARG A 6 -6.468 -10.241 3.744 1.00 0.00 C ATOM 87 CD ARG A 6 -6.808 -11.358 4.705 1.00 0.00 C ATOM 88 NE ARG A 6 -7.820 -12.264 4.157 1.00 0.00 N ATOM 89 CZ ARG A 6 -7.882 -13.567 4.439 1.00 0.00 C ATOM 90 NH1 ARG A 6 -6.999 -14.112 5.266 1.00 0.00 N ATOM 91 NH2 ARG A 6 -8.815 -14.330 3.882 1.00 0.00 N ATOM 0 H ARG A 6 -3.705 -9.964 1.997 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.433 -7.742 2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.503 -10.127 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.574 -8.841 5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.329 -9.582 3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.258 -10.659 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.905 -11.922 4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.170 -10.933 5.641 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.518 -11.876 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.271 -13.535 5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.048 -15.108 5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.489 -13.921 3.235 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.858 -15.325 4.101 1.00 0.00 H new ATOM 105 N ASP A 7 -3.540 -6.756 4.303 1.00 0.00 N ATOM 106 CA ASP A 7 -2.376 -6.019 4.794 1.00 0.00 C ATOM 107 C ASP A 7 -1.797 -6.693 6.038 1.00 0.00 C ATOM 108 O ASP A 7 -2.215 -7.791 6.410 1.00 0.00 O ATOM 109 CB ASP A 7 -2.759 -4.569 5.107 1.00 0.00 C ATOM 110 CG ASP A 7 -3.441 -4.405 6.450 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.370 -5.176 6.756 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.040 -3.499 7.208 1.00 0.00 O ATOM 0 H ASP A 7 -4.436 -6.329 4.536 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.614 -6.021 4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.861 -3.951 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.420 -4.198 4.324 1.00 0.00 H new ATOM 117 N CYS A 8 -0.838 -6.036 6.678 1.00 0.00 N ATOM 118 CA CYS A 8 -0.195 -6.586 7.866 1.00 0.00 C ATOM 119 C CYS A 8 -1.180 -6.716 9.031 1.00 0.00 C ATOM 120 O CYS A 8 -0.975 -7.525 9.938 1.00 0.00 O ATOM 121 CB CYS A 8 0.993 -5.712 8.269 1.00 0.00 C ATOM 122 SG CYS A 8 0.553 -4.002 8.634 1.00 0.00 S ATOM 0 H CYS A 8 -0.488 -5.121 6.395 1.00 0.00 H new ATOM 0 HA CYS A 8 0.161 -7.587 7.623 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.472 -6.149 9.146 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.729 -5.724 7.465 1.00 0.00 H new ATOM 0 HG CYS A 8 0.437 -3.337 7.523 1.00 0.00 H new ATOM 128 N ASN A 9 -2.247 -5.922 9.005 1.00 0.00 N ATOM 129 CA ASN A 9 -3.280 -5.999 10.027 1.00 0.00 C ATOM 130 C ASN A 9 -4.255 -7.127 9.718 1.00 0.00 C ATOM 131 O ASN A 9 -4.857 -7.711 10.622 1.00 0.00 O ATOM 132 CB ASN A 9 -4.036 -4.674 10.124 1.00 0.00 C ATOM 133 CG ASN A 9 -3.367 -3.658 11.035 1.00 0.00 C ATOM 134 OD1 ASN A 9 -2.044 -3.629 11.040 1.00 0.00 O flip ATOM 135 ND2 ASN A 9 -4.041 -2.883 11.711 1.00 0.00 N flip ATOM 0 H ASN A 9 -2.417 -5.219 8.286 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.797 -6.202 10.983 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.133 -4.247 9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.045 -4.867 10.488 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.059 -2.934 11.682 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.582 -2.189 12.301 1.00 0.00 H new ATOM 142 N GLY A 10 -4.411 -7.429 8.438 1.00 0.00 N ATOM 143 CA GLY A 10 -5.283 -8.508 8.027 1.00 0.00 C ATOM 144 C GLY A 10 -6.538 -8.003 7.348 1.00 0.00 C ATOM 145 O GLY A 10 -7.511 -8.740 7.190 1.00 0.00 O ATOM 0 H GLY A 10 -3.945 -6.942 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.745 -9.169 7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.558 -9.103 8.898 1.00 0.00 H new ATOM 149 N ALA A 11 -6.516 -6.743 6.942 1.00 0.00 N ATOM 150 CA ALA A 11 -7.648 -6.141 6.262 1.00 0.00 C ATOM 151 C ALA A 11 -7.533 -6.369 4.763 1.00 0.00 C ATOM 152 O ALA A 11 -6.453 -6.223 4.189 1.00 0.00 O ATOM 153 CB ALA A 11 -7.729 -4.655 6.576 1.00 0.00 C ATOM 0 H ALA A 11 -5.722 -6.116 7.073 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.565 -6.612 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.583 -4.220 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.847 -4.516 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.815 -4.163 6.245 1.00 0.00 H new ATOM 159 N LEU A 12 -8.640 -6.738 4.139 1.00 0.00 N ATOM 160 CA LEU A 12 -8.650 -7.040 2.717 1.00 0.00 C ATOM 161 C LEU A 12 -8.466 -5.787 1.876 1.00 0.00 C ATOM 162 O LEU A 12 -9.025 -4.729 2.173 1.00 0.00 O ATOM 163 CB LEU A 12 -9.946 -7.754 2.336 1.00 0.00 C ATOM 164 CG LEU A 12 -9.941 -9.261 2.594 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.354 -9.818 2.571 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.088 -9.964 1.553 1.00 0.00 C ATOM 0 H LEU A 12 -9.546 -6.836 4.597 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.808 -7.700 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.769 -7.306 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.144 -7.580 1.278 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.518 -9.438 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.325 -10.892 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.949 -9.332 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.803 -9.631 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.090 -11.037 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.494 -9.772 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.066 -9.588 1.606 1.00 0.00 H new ATOM 178 N LEU A 13 -7.667 -5.923 0.834 1.00 0.00 N ATOM 179 CA LEU A 13 -7.399 -4.839 -0.087 1.00 0.00 C ATOM 180 C LEU A 13 -8.162 -5.056 -1.384 1.00 0.00 C ATOM 181 O LEU A 13 -8.780 -6.105 -1.579 1.00 0.00 O ATOM 182 CB LEU A 13 -5.898 -4.756 -0.368 1.00 0.00 C ATOM 183 CG LEU A 13 -5.038 -4.374 0.835 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.560 -4.517 0.503 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.351 -2.952 1.268 1.00 0.00 C ATOM 0 H LEU A 13 -7.185 -6.792 0.604 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.729 -3.902 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.560 -5.721 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.732 -4.027 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.269 -5.050 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.963 -4.240 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.347 -5.551 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.310 -3.863 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.733 -2.689 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.142 -2.267 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.403 -2.879 1.542 1.00 0.00 H new ATOM 197 N ALA A 14 -8.111 -4.070 -2.265 1.00 0.00 N ATOM 198 CA ALA A 14 -8.775 -4.159 -3.555 1.00 0.00 C ATOM 199 C ALA A 14 -8.206 -3.121 -4.509 1.00 0.00 C ATOM 200 O ALA A 14 -7.384 -2.296 -4.114 1.00 0.00 O ATOM 201 CB ALA A 14 -10.276 -3.973 -3.396 1.00 0.00 C ATOM 0 H ALA A 14 -7.613 -3.194 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.597 -5.150 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.757 -4.043 -4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.671 -4.749 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.477 -2.994 -2.962 1.00 0.00 H new ATOM 207 N ASP A 15 -8.626 -3.181 -5.762 1.00 0.00 N ATOM 208 CA ASP A 15 -8.224 -2.188 -6.752 1.00 0.00 C ATOM 209 C ASP A 15 -8.775 -0.815 -6.380 1.00 0.00 C ATOM 210 O ASP A 15 -9.986 -0.640 -6.233 1.00 0.00 O ATOM 211 CB ASP A 15 -8.711 -2.595 -8.145 1.00 0.00 C ATOM 212 CG ASP A 15 -8.403 -1.551 -9.202 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.218 -1.382 -9.554 1.00 0.00 O ATOM 214 OD2 ASP A 15 -9.351 -0.913 -9.707 1.00 0.00 O ATOM 0 H ASP A 15 -9.246 -3.907 -6.121 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.135 -2.135 -6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.245 -3.539 -8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.787 -2.767 -8.113 1.00 0.00 H new ATOM 219 N GLY A 16 -7.877 0.143 -6.207 1.00 0.00 N ATOM 220 CA GLY A 16 -8.275 1.484 -5.829 1.00 0.00 C ATOM 221 C GLY A 16 -8.203 1.697 -4.330 1.00 0.00 C ATOM 222 O GLY A 16 -8.817 2.620 -3.792 1.00 0.00 O ATOM 0 H GLY A 16 -6.872 0.014 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.631 2.208 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.292 1.671 -6.173 1.00 0.00 H new ATOM 226 N ASP A 17 -7.449 0.843 -3.651 1.00 0.00 N ATOM 227 CA ASP A 17 -7.341 0.912 -2.198 1.00 0.00 C ATOM 228 C ASP A 17 -6.080 1.657 -1.775 1.00 0.00 C ATOM 229 O ASP A 17 -5.250 2.012 -2.616 1.00 0.00 O ATOM 230 CB ASP A 17 -7.349 -0.490 -1.596 1.00 0.00 C ATOM 231 CG ASP A 17 -8.015 -0.512 -0.239 1.00 0.00 C ATOM 232 OD1 ASP A 17 -9.257 -0.622 -0.190 1.00 0.00 O ATOM 233 OD2 ASP A 17 -7.313 -0.393 0.780 1.00 0.00 O ATOM 0 H ASP A 17 -6.904 0.096 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.204 1.463 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.870 -1.172 -2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.325 -0.853 -1.505 1.00 0.00 H new ATOM 238 N ASN A 18 -5.931 1.895 -0.477 1.00 0.00 N ATOM 239 CA ASN A 18 -4.793 2.649 0.034 1.00 0.00 C ATOM 240 C ASN A 18 -4.118 1.945 1.202 1.00 0.00 C ATOM 241 O ASN A 18 -4.771 1.389 2.085 1.00 0.00 O ATOM 242 CB ASN A 18 -5.192 4.074 0.446 1.00 0.00 C ATOM 243 CG ASN A 18 -6.466 4.153 1.273 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.864 3.207 1.949 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.098 5.311 1.238 1.00 0.00 N ATOM 0 H ASN A 18 -6.583 1.577 0.240 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.078 2.712 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.375 4.517 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.318 4.678 -0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.949 5.444 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.736 6.073 0.664 1.00 0.00 H new ATOM 252 N VAL A 19 -2.796 1.991 1.198 1.00 0.00 N ATOM 253 CA VAL A 19 -1.986 1.390 2.254 1.00 0.00 C ATOM 254 C VAL A 19 -0.804 2.294 2.584 1.00 0.00 C ATOM 255 O VAL A 19 -0.582 3.302 1.913 1.00 0.00 O ATOM 256 CB VAL A 19 -1.467 -0.019 1.871 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.620 -0.996 1.714 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.638 0.034 0.595 1.00 0.00 C ATOM 0 H VAL A 19 -2.251 2.445 0.465 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.629 1.280 3.127 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.827 -0.370 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.231 -1.978 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.167 -1.067 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.291 -0.644 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.286 -0.968 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.251 0.415 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.217 0.693 0.744 1.00 0.00 H new ATOM 268 N SER A 20 -0.062 1.955 3.624 1.00 0.00 N ATOM 269 CA SER A 20 1.091 2.742 4.022 1.00 0.00 C ATOM 270 C SER A 20 2.138 1.886 4.739 1.00 0.00 C ATOM 271 O SER A 20 1.828 0.824 5.274 1.00 0.00 O ATOM 272 CB SER A 20 0.645 3.911 4.904 1.00 0.00 C ATOM 273 OG SER A 20 -0.155 4.824 4.173 1.00 0.00 O ATOM 0 H SER A 20 -0.238 1.138 4.209 1.00 0.00 H new ATOM 0 HA SER A 20 1.561 3.137 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.083 3.533 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.520 4.426 5.301 1.00 0.00 H new ATOM 0 HG SER A 20 -0.308 4.475 3.270 1.00 0.00 H new ATOM 279 N LEU A 21 3.379 2.361 4.718 1.00 0.00 N ATOM 280 CA LEU A 21 4.510 1.668 5.335 1.00 0.00 C ATOM 281 C LEU A 21 4.376 1.628 6.856 1.00 0.00 C ATOM 282 O LEU A 21 4.038 2.636 7.480 1.00 0.00 O ATOM 283 CB LEU A 21 5.819 2.379 4.963 1.00 0.00 C ATOM 284 CG LEU A 21 6.477 1.960 3.641 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.069 0.570 3.766 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.488 2.014 2.487 1.00 0.00 C ATOM 0 H LEU A 21 3.632 3.242 4.271 1.00 0.00 H new ATOM 0 HA LEU A 21 4.519 0.644 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.625 3.451 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.536 2.215 5.767 1.00 0.00 H new ATOM 0 HG LEU A 21 7.278 2.668 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.532 0.286 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.821 0.564 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.280 -0.141 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.987 1.711 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.657 1.339 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.111 3.031 2.378 1.00 0.00 H new ATOM 298 N ILE A 22 4.650 0.466 7.449 1.00 0.00 N ATOM 299 CA ILE A 22 4.621 0.329 8.907 1.00 0.00 C ATOM 300 C ILE A 22 6.019 0.461 9.498 1.00 0.00 C ATOM 301 O ILE A 22 6.189 0.533 10.714 1.00 0.00 O ATOM 302 CB ILE A 22 4.030 -1.027 9.348 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.862 -2.187 8.794 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.587 -1.141 8.900 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.392 -3.552 9.256 1.00 0.00 C ATOM 0 H ILE A 22 4.893 -0.389 6.948 1.00 0.00 H new ATOM 0 HA ILE A 22 3.983 1.132 9.277 1.00 0.00 H new ATOM 0 HB ILE A 22 4.060 -1.080 10.436 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.835 -2.153 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.902 -2.051 9.092 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.182 -2.102 9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.003 -0.336 9.346 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.536 -1.067 7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.030 -4.322 8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.445 -3.606 10.343 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.362 -3.710 8.935 1.00 0.00 H new ATOM 317 N LYS A 23 7.008 0.498 8.626 1.00 0.00 N ATOM 318 CA LYS A 23 8.406 0.542 9.027 1.00 0.00 C ATOM 319 C LYS A 23 9.240 1.077 7.869 1.00 0.00 C ATOM 320 O LYS A 23 8.703 1.317 6.785 1.00 0.00 O ATOM 321 CB LYS A 23 8.889 -0.857 9.435 1.00 0.00 C ATOM 322 CG LYS A 23 8.449 -1.944 8.471 1.00 0.00 C ATOM 323 CD LYS A 23 9.268 -3.219 8.607 1.00 0.00 C ATOM 324 CE LYS A 23 8.728 -4.156 9.680 1.00 0.00 C ATOM 325 NZ LYS A 23 8.848 -3.601 11.058 1.00 0.00 N ATOM 0 H LYS A 23 6.867 0.498 7.616 1.00 0.00 H new ATOM 0 HA LYS A 23 8.517 1.202 9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.977 -0.855 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.512 -1.089 10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.397 -2.173 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.531 -1.572 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.282 -3.740 7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.300 -2.959 8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.680 -4.371 9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.264 -5.104 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.894 -4.381 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.713 -3.027 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.021 -3.006 11.266 1.00 0.00 H new ATOM 339 N ASP A 24 10.534 1.268 8.087 1.00 0.00 N ATOM 340 CA ASP A 24 11.410 1.766 7.031 1.00 0.00 C ATOM 341 C ASP A 24 12.051 0.593 6.301 1.00 0.00 C ATOM 342 O ASP A 24 12.899 -0.108 6.862 1.00 0.00 O ATOM 343 CB ASP A 24 12.512 2.667 7.595 1.00 0.00 C ATOM 344 CG ASP A 24 12.048 3.557 8.727 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.223 4.456 8.494 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.532 3.368 9.861 1.00 0.00 O ATOM 0 H ASP A 24 10.999 1.088 8.977 1.00 0.00 H new ATOM 0 HA ASP A 24 10.803 2.354 6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.334 2.044 7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.906 3.290 6.792 1.00 0.00 H new ATOM 351 N LEU A 25 11.648 0.382 5.058 1.00 0.00 N ATOM 352 CA LEU A 25 12.141 -0.744 4.269 1.00 0.00 C ATOM 353 C LEU A 25 13.230 -0.289 3.311 1.00 0.00 C ATOM 354 O LEU A 25 13.032 0.635 2.525 1.00 0.00 O ATOM 355 CB LEU A 25 11.006 -1.401 3.467 1.00 0.00 C ATOM 356 CG LEU A 25 10.101 -2.373 4.235 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.906 -3.516 4.839 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.327 -1.655 5.313 1.00 0.00 C ATOM 0 H LEU A 25 10.978 0.976 4.569 1.00 0.00 H new ATOM 0 HA LEU A 25 12.550 -1.476 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.382 -0.611 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.447 -1.937 2.627 1.00 0.00 H new ATOM 0 HG LEU A 25 9.393 -2.793 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.237 -4.188 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.410 -4.066 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.648 -3.114 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.694 -2.367 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.022 -1.196 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.705 -0.882 4.861 1.00 0.00 H new ATOM 370 N LYS A 26 14.380 -0.937 3.376 1.00 0.00 N ATOM 371 CA LYS A 26 15.470 -0.610 2.473 1.00 0.00 C ATOM 372 C LYS A 26 15.438 -1.510 1.254 1.00 0.00 C ATOM 373 O LYS A 26 15.039 -2.673 1.329 1.00 0.00 O ATOM 374 CB LYS A 26 16.828 -0.716 3.158 1.00 0.00 C ATOM 375 CG LYS A 26 17.053 0.329 4.230 1.00 0.00 C ATOM 376 CD LYS A 26 16.365 -0.042 5.537 1.00 0.00 C ATOM 377 CE LYS A 26 16.459 1.071 6.566 1.00 0.00 C ATOM 378 NZ LYS A 26 15.693 0.745 7.800 1.00 0.00 N ATOM 0 H LYS A 26 14.583 -1.686 4.038 1.00 0.00 H new ATOM 0 HA LYS A 26 15.331 0.426 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.924 -1.706 3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.612 -0.627 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.123 0.447 4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.678 1.292 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.317 -0.269 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.818 -0.948 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.505 1.243 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.079 1.998 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.638 1.588 8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.733 0.440 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.173 -0.021 8.314 1.00 0.00 H new ATOM 392 N LEU A 27 15.873 -0.959 0.141 1.00 0.00 N ATOM 393 CA LEU A 27 15.809 -1.646 -1.141 1.00 0.00 C ATOM 394 C LEU A 27 17.171 -1.670 -1.813 1.00 0.00 C ATOM 395 O LEU A 27 18.018 -0.808 -1.563 1.00 0.00 O ATOM 396 CB LEU A 27 14.796 -0.962 -2.071 1.00 0.00 C ATOM 397 CG LEU A 27 13.357 -1.489 -2.017 1.00 0.00 C ATOM 398 CD1 LEU A 27 13.325 -2.975 -2.332 1.00 0.00 C ATOM 399 CD2 LEU A 27 12.718 -1.213 -0.665 1.00 0.00 C ATOM 0 H LEU A 27 16.281 -0.025 0.094 1.00 0.00 H new ATOM 0 HA LEU A 27 15.490 -2.671 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.779 0.102 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.156 -1.055 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 27 12.776 -0.960 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.297 -3.334 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.727 -3.144 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.928 -3.515 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.699 -1.599 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.296 -1.704 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.700 -0.138 -0.483 1.00 0.00 H new ATOM 411 N LYS A 28 17.373 -2.659 -2.666 1.00 0.00 N ATOM 412 CA LYS A 28 18.600 -2.770 -3.433 1.00 0.00 C ATOM 413 C LYS A 28 18.380 -2.227 -4.841 1.00 0.00 C ATOM 414 O LYS A 28 17.279 -2.323 -5.386 1.00 0.00 O ATOM 415 CB LYS A 28 19.057 -4.230 -3.498 1.00 0.00 C ATOM 416 CG LYS A 28 20.403 -4.422 -4.177 1.00 0.00 C ATOM 417 CD LYS A 28 20.751 -5.891 -4.319 1.00 0.00 C ATOM 418 CE LYS A 28 22.132 -6.078 -4.921 1.00 0.00 C ATOM 419 NZ LYS A 28 22.469 -7.514 -5.098 1.00 0.00 N ATOM 0 H LYS A 28 16.697 -3.402 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 28 19.377 -2.184 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.111 -4.629 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.305 -4.813 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 28 20.385 -3.955 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 28 21.178 -3.918 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.710 -6.372 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.009 -6.383 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.179 -5.572 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.875 -5.607 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.420 -7.599 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.449 -7.992 -4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.775 -7.958 -5.732 1.00 0.00 H new ATOM 433 N GLY A 29 19.419 -1.640 -5.411 1.00 0.00 N ATOM 434 CA GLY A 29 19.333 -1.113 -6.755 1.00 0.00 C ATOM 435 C GLY A 29 19.815 0.316 -6.818 1.00 0.00 C ATOM 436 O GLY A 29 20.912 0.596 -7.305 1.00 0.00 O ATOM 0 H GLY A 29 20.327 -1.518 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.929 -1.730 -7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.301 -1.166 -7.103 1.00 0.00 H new ATOM 440 N SER A 30 18.997 1.222 -6.316 1.00 0.00 N ATOM 441 CA SER A 30 19.362 2.626 -6.262 1.00 0.00 C ATOM 442 C SER A 30 19.577 3.054 -4.813 1.00 0.00 C ATOM 443 O SER A 30 19.605 4.247 -4.506 1.00 0.00 O ATOM 444 CB SER A 30 18.270 3.473 -6.916 1.00 0.00 C ATOM 445 OG SER A 30 17.983 3.006 -8.226 1.00 0.00 O ATOM 0 H SER A 30 18.073 1.011 -5.939 1.00 0.00 H new ATOM 0 HA SER A 30 20.293 2.776 -6.809 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.366 3.441 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.589 4.515 -6.959 1.00 0.00 H new ATOM 0 HG SER A 30 17.281 3.561 -8.625 1.00 0.00 H new ATOM 451 N SER A 31 19.752 2.062 -3.932 1.00 0.00 N ATOM 452 CA SER A 31 19.897 2.300 -2.496 1.00 0.00 C ATOM 453 C SER A 31 18.670 3.028 -1.951 1.00 0.00 C ATOM 454 O SER A 31 18.775 3.898 -1.088 1.00 0.00 O ATOM 455 CB SER A 31 21.173 3.101 -2.218 1.00 0.00 C ATOM 456 OG SER A 31 22.316 2.416 -2.710 1.00 0.00 O ATOM 0 H SER A 31 19.797 1.078 -4.195 1.00 0.00 H new ATOM 0 HA SER A 31 19.977 1.339 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.101 4.082 -2.688 1.00 0.00 H new ATOM 0 HB3 SER A 31 21.277 3.268 -1.146 1.00 0.00 H new ATOM 0 HG SER A 31 23.120 2.945 -2.524 1.00 0.00 H new ATOM 462 N THR A 32 17.508 2.642 -2.455 1.00 0.00 N ATOM 463 CA THR A 32 16.262 3.290 -2.095 1.00 0.00 C ATOM 464 C THR A 32 15.815 2.867 -0.702 1.00 0.00 C ATOM 465 O THR A 32 15.638 1.682 -0.430 1.00 0.00 O ATOM 466 CB THR A 32 15.167 2.941 -3.115 1.00 0.00 C ATOM 467 OG1 THR A 32 15.689 3.101 -4.440 1.00 0.00 O ATOM 468 CG2 THR A 32 13.943 3.829 -2.936 1.00 0.00 C ATOM 0 H THR A 32 17.405 1.876 -3.120 1.00 0.00 H new ATOM 0 HA THR A 32 16.428 4.367 -2.098 1.00 0.00 H new ATOM 0 HB THR A 32 14.861 1.907 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.994 2.878 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.186 3.558 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.539 3.693 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.227 4.872 -3.075 1.00 0.00 H new ATOM 476 N VAL A 33 15.660 3.832 0.183 1.00 0.00 N ATOM 477 CA VAL A 33 15.207 3.551 1.533 1.00 0.00 C ATOM 478 C VAL A 33 13.838 4.168 1.775 1.00 0.00 C ATOM 479 O VAL A 33 13.706 5.388 1.880 1.00 0.00 O ATOM 480 CB VAL A 33 16.199 4.078 2.593 1.00 0.00 C ATOM 481 CG1 VAL A 33 15.714 3.756 3.998 1.00 0.00 C ATOM 482 CG2 VAL A 33 17.590 3.505 2.363 1.00 0.00 C ATOM 0 H VAL A 33 15.841 4.818 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 33 15.144 2.467 1.631 1.00 0.00 H new ATOM 0 HB VAL A 33 16.254 5.162 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.430 4.137 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.743 4.223 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.621 2.676 4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.272 3.890 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.551 2.418 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.945 3.797 1.374 1.00 0.00 H new ATOM 492 N LEU A 34 12.822 3.323 1.847 1.00 0.00 N ATOM 493 CA LEU A 34 11.478 3.781 2.145 1.00 0.00 C ATOM 494 C LEU A 34 11.311 3.946 3.641 1.00 0.00 C ATOM 495 O LEU A 34 11.880 3.191 4.426 1.00 0.00 O ATOM 496 CB LEU A 34 10.424 2.821 1.602 1.00 0.00 C ATOM 497 CG LEU A 34 10.191 2.904 0.094 1.00 0.00 C ATOM 498 CD1 LEU A 34 11.216 2.081 -0.669 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.777 2.467 -0.235 1.00 0.00 C ATOM 0 H LEU A 34 12.904 2.317 1.703 1.00 0.00 H new ATOM 0 HA LEU A 34 11.334 4.743 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.718 1.802 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.480 3.015 2.112 1.00 0.00 H new ATOM 0 HG LEU A 34 10.315 3.940 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.023 2.161 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.217 2.454 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.144 1.037 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.618 2.529 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.628 1.439 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.067 3.119 0.274 1.00 0.00 H new ATOM 511 N LYS A 35 10.528 4.934 4.028 1.00 0.00 N ATOM 512 CA LYS A 35 10.375 5.271 5.432 1.00 0.00 C ATOM 513 C LYS A 35 8.988 4.927 5.946 1.00 0.00 C ATOM 514 O LYS A 35 8.033 4.798 5.179 1.00 0.00 O ATOM 515 CB LYS A 35 10.651 6.756 5.649 1.00 0.00 C ATOM 516 CG LYS A 35 12.130 7.110 5.667 1.00 0.00 C ATOM 517 CD LYS A 35 12.792 6.662 6.960 1.00 0.00 C ATOM 518 CE LYS A 35 12.140 7.308 8.177 1.00 0.00 C ATOM 519 NZ LYS A 35 12.709 6.797 9.451 1.00 0.00 N ATOM 0 H LYS A 35 9.987 5.518 3.391 1.00 0.00 H new ATOM 0 HA LYS A 35 11.098 4.678 5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.160 7.326 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.202 7.065 6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.629 6.640 4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.249 8.187 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.728 5.577 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.851 6.918 6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.273 8.389 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.067 7.118 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.641 7.534 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.178 5.956 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.707 6.543 9.308 1.00 0.00 H new ATOM 533 N ARG A 36 8.901 4.781 7.254 1.00 0.00 N ATOM 534 CA ARG A 36 7.644 4.528 7.932 1.00 0.00 C ATOM 535 C ARG A 36 6.681 5.687 7.708 1.00 0.00 C ATOM 536 O ARG A 36 7.066 6.852 7.809 1.00 0.00 O ATOM 537 CB ARG A 36 7.902 4.347 9.425 1.00 0.00 C ATOM 538 CG ARG A 36 6.705 3.843 10.207 1.00 0.00 C ATOM 539 CD ARG A 36 7.101 3.541 11.635 1.00 0.00 C ATOM 540 NE ARG A 36 6.016 2.948 12.412 1.00 0.00 N ATOM 541 CZ ARG A 36 5.556 3.450 13.558 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.036 4.593 14.035 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.618 2.806 14.239 1.00 0.00 N ATOM 0 H ARG A 36 9.705 4.835 7.880 1.00 0.00 H new ATOM 0 HA ARG A 36 7.196 3.621 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.728 3.648 9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.221 5.301 9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.912 4.590 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.306 2.945 9.735 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.954 2.862 11.634 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.427 4.462 12.119 1.00 0.00 H new ATOM 0 HE ARG A 36 5.583 2.096 12.055 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.762 5.094 13.524 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.678 4.970 14.913 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.246 1.924 13.886 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.268 3.193 15.116 1.00 0.00 H new ATOM 557 N GLY A 37 5.438 5.364 7.396 1.00 0.00 N ATOM 558 CA GLY A 37 4.452 6.397 7.155 1.00 0.00 C ATOM 559 C GLY A 37 4.257 6.700 5.681 1.00 0.00 C ATOM 560 O GLY A 37 3.340 7.437 5.317 1.00 0.00 O ATOM 0 H GLY A 37 5.093 4.408 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.499 6.089 7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.756 7.308 7.670 1.00 0.00 H new ATOM 564 N THR A 38 5.122 6.145 4.834 1.00 0.00 N ATOM 565 CA THR A 38 4.994 6.311 3.387 1.00 0.00 C ATOM 566 C THR A 38 3.655 5.767 2.909 1.00 0.00 C ATOM 567 O THR A 38 3.330 4.606 3.154 1.00 0.00 O ATOM 568 CB THR A 38 6.132 5.591 2.633 1.00 0.00 C ATOM 569 OG1 THR A 38 7.397 6.142 3.025 1.00 0.00 O ATOM 570 CG2 THR A 38 5.968 5.717 1.124 1.00 0.00 C ATOM 0 H THR A 38 5.918 5.577 5.124 1.00 0.00 H new ATOM 0 HA THR A 38 5.056 7.378 3.174 1.00 0.00 H new ATOM 0 HB THR A 38 6.090 4.533 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.803 5.573 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.786 5.199 0.625 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.019 5.273 0.823 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.981 6.770 0.843 1.00 0.00 H new ATOM 578 N MET A 39 2.885 6.598 2.230 1.00 0.00 N ATOM 579 CA MET A 39 1.565 6.203 1.790 1.00 0.00 C ATOM 580 C MET A 39 1.592 5.721 0.355 1.00 0.00 C ATOM 581 O MET A 39 2.054 6.418 -0.550 1.00 0.00 O ATOM 582 CB MET A 39 0.558 7.345 1.937 1.00 0.00 C ATOM 583 CG MET A 39 -0.768 7.059 1.244 1.00 0.00 C ATOM 584 SD MET A 39 -2.064 8.232 1.675 1.00 0.00 S ATOM 585 CE MET A 39 -2.401 7.737 3.362 1.00 0.00 C ATOM 0 H MET A 39 3.153 7.548 1.973 1.00 0.00 H new ATOM 0 HA MET A 39 1.246 5.381 2.431 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.377 7.529 2.996 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.988 8.258 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.617 7.075 0.165 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.097 6.053 1.505 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.378 8.114 3.663 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.395 6.649 3.430 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.635 8.146 4.021 1.00 0.00 H new ATOM 595 N ILE A 40 1.100 4.517 0.164 1.00 0.00 N ATOM 596 CA ILE A 40 0.936 3.962 -1.165 1.00 0.00 C ATOM 597 C ILE A 40 -0.549 3.759 -1.438 1.00 0.00 C ATOM 598 O ILE A 40 -1.139 2.758 -1.038 1.00 0.00 O ATOM 599 CB ILE A 40 1.696 2.626 -1.333 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.183 2.818 -1.012 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.524 2.087 -2.748 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.013 1.563 -1.177 1.00 0.00 C ATOM 0 H ILE A 40 0.804 3.897 0.918 1.00 0.00 H new ATOM 0 HA ILE A 40 1.359 4.664 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 40 1.279 1.900 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.587 3.597 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.280 3.174 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.066 1.146 -2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.466 1.919 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.917 2.810 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.053 1.780 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.637 0.788 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.948 1.217 -2.209 1.00 0.00 H new ATOM 614 N ARG A 41 -1.164 4.740 -2.074 1.00 0.00 N ATOM 615 CA ARG A 41 -2.591 4.684 -2.339 1.00 0.00 C ATOM 616 C ARG A 41 -2.859 4.521 -3.827 1.00 0.00 C ATOM 617 O ARG A 41 -2.102 5.014 -4.663 1.00 0.00 O ATOM 618 CB ARG A 41 -3.306 5.916 -1.760 1.00 0.00 C ATOM 619 CG ARG A 41 -2.684 7.260 -2.120 1.00 0.00 C ATOM 620 CD ARG A 41 -3.069 7.714 -3.517 1.00 0.00 C ATOM 621 NE ARG A 41 -2.629 9.079 -3.788 1.00 0.00 N ATOM 622 CZ ARG A 41 -3.375 9.988 -4.410 1.00 0.00 C ATOM 623 NH1 ARG A 41 -4.604 9.688 -4.807 1.00 0.00 N ATOM 624 NH2 ARG A 41 -2.895 11.207 -4.616 1.00 0.00 N ATOM 0 H ARG A 41 -0.700 5.582 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.999 3.807 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.341 5.910 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.330 5.825 -0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.000 8.011 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.599 7.187 -2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.630 7.039 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.151 7.652 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.695 9.352 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.982 8.756 -4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.171 10.389 -5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.956 11.446 -4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.465 11.906 -5.093 1.00 0.00 H new ATOM 638 N GLY A 42 -3.931 3.817 -4.147 1.00 0.00 N ATOM 639 CA GLY A 42 -4.222 3.501 -5.525 1.00 0.00 C ATOM 640 C GLY A 42 -3.627 2.166 -5.904 1.00 0.00 C ATOM 641 O GLY A 42 -3.100 1.998 -7.005 1.00 0.00 O ATOM 0 H GLY A 42 -4.607 3.458 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.301 3.480 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.822 4.280 -6.174 1.00 0.00 H new ATOM 645 N ILE A 43 -3.696 1.217 -4.975 1.00 0.00 N ATOM 646 CA ILE A 43 -3.120 -0.096 -5.183 1.00 0.00 C ATOM 647 C ILE A 43 -4.143 -1.026 -5.813 1.00 0.00 C ATOM 648 O ILE A 43 -5.332 -0.714 -5.867 1.00 0.00 O ATOM 649 CB ILE A 43 -2.576 -0.707 -3.860 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.701 -1.085 -2.881 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.629 0.273 -3.190 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.195 -2.511 -3.020 1.00 0.00 C ATOM 0 H ILE A 43 -4.148 1.339 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.275 0.020 -5.862 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.047 -1.623 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.346 -0.934 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.540 -0.406 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.252 -0.161 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.794 0.486 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.161 1.198 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.987 -2.694 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.583 -2.665 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.371 -3.201 -2.840 1.00 0.00 H new ATOM 664 N ARG A 44 -3.673 -2.154 -6.299 1.00 0.00 N ATOM 665 CA ARG A 44 -4.532 -3.154 -6.900 1.00 0.00 C ATOM 666 C ARG A 44 -4.073 -4.543 -6.493 1.00 0.00 C ATOM 667 O ARG A 44 -2.913 -4.735 -6.115 1.00 0.00 O ATOM 668 CB ARG A 44 -4.509 -3.022 -8.419 1.00 0.00 C ATOM 669 CG ARG A 44 -3.104 -2.927 -8.984 1.00 0.00 C ATOM 670 CD ARG A 44 -3.105 -2.992 -10.499 1.00 0.00 C ATOM 671 NE ARG A 44 -3.904 -1.925 -11.095 1.00 0.00 N ATOM 672 CZ ARG A 44 -3.415 -0.995 -11.913 1.00 0.00 C ATOM 673 NH1 ARG A 44 -2.112 -0.950 -12.180 1.00 0.00 N ATOM 674 NH2 ARG A 44 -4.228 -0.099 -12.453 1.00 0.00 N ATOM 0 H ARG A 44 -2.684 -2.405 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.552 -2.999 -6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.015 -3.880 -8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.072 -2.135 -8.710 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.643 -1.994 -8.660 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.495 -3.738 -8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.080 -2.924 -10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.495 -3.958 -10.820 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.898 -1.890 -10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.481 -1.631 -11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.744 -0.235 -12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.226 -0.123 -12.242 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.856 0.615 -13.080 1.00 0.00 H new ATOM 688 N LEU A 45 -4.973 -5.509 -6.573 1.00 0.00 N ATOM 689 CA LEU A 45 -4.641 -6.881 -6.233 1.00 0.00 C ATOM 690 C LEU A 45 -4.009 -7.556 -7.434 1.00 0.00 C ATOM 691 O LEU A 45 -4.535 -7.476 -8.546 1.00 0.00 O ATOM 692 CB LEU A 45 -5.887 -7.662 -5.803 1.00 0.00 C ATOM 693 CG LEU A 45 -6.729 -7.010 -4.706 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.864 -7.930 -4.287 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.869 -6.637 -3.512 1.00 0.00 C ATOM 0 H LEU A 45 -5.938 -5.368 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.941 -6.870 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.518 -7.815 -6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.575 -8.648 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.161 -6.094 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.452 -7.449 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.502 -8.136 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.453 -8.866 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.491 -6.175 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.400 -7.534 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.097 -5.934 -3.825 1.00 0.00 H new ATOM 707 N THR A 46 -2.880 -8.200 -7.218 1.00 0.00 N ATOM 708 CA THR A 46 -2.201 -8.902 -8.288 1.00 0.00 C ATOM 709 C THR A 46 -2.639 -10.359 -8.296 1.00 0.00 C ATOM 710 O THR A 46 -3.556 -10.736 -7.568 1.00 0.00 O ATOM 711 CB THR A 46 -0.667 -8.822 -8.137 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.249 -9.453 -6.917 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.195 -7.376 -8.154 1.00 0.00 C ATOM 0 H THR A 46 -2.414 -8.252 -6.312 1.00 0.00 H new ATOM 0 HA THR A 46 -2.470 -8.424 -9.230 1.00 0.00 H new ATOM 0 HB THR A 46 -0.219 -9.346 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.484 -8.882 -6.156 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.889 -7.346 -8.046 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.479 -6.912 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.657 -6.833 -7.330 1.00 0.00 H new ATOM 721 N ASP A 47 -1.985 -11.176 -9.103 1.00 0.00 N ATOM 722 CA ASP A 47 -2.273 -12.602 -9.114 1.00 0.00 C ATOM 723 C ASP A 47 -1.517 -13.283 -7.977 1.00 0.00 C ATOM 724 O ASP A 47 -1.494 -14.511 -7.861 1.00 0.00 O ATOM 725 CB ASP A 47 -1.919 -13.220 -10.470 1.00 0.00 C ATOM 726 CG ASP A 47 -2.798 -12.685 -11.587 1.00 0.00 C ATOM 727 OD1 ASP A 47 -3.959 -13.126 -11.705 1.00 0.00 O ATOM 728 OD2 ASP A 47 -2.336 -11.812 -12.350 1.00 0.00 O ATOM 0 H ASP A 47 -1.257 -10.882 -9.754 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.342 -12.753 -8.961 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.874 -13.013 -10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.025 -14.303 -10.413 1.00 0.00 H new ATOM 733 N SER A 48 -0.894 -12.457 -7.148 1.00 0.00 N ATOM 734 CA SER A 48 -0.266 -12.892 -5.923 1.00 0.00 C ATOM 735 C SER A 48 -1.149 -12.514 -4.736 1.00 0.00 C ATOM 736 O SER A 48 -1.780 -11.459 -4.739 1.00 0.00 O ATOM 737 CB SER A 48 1.096 -12.214 -5.796 1.00 0.00 C ATOM 738 OG SER A 48 1.947 -12.552 -6.881 1.00 0.00 O ATOM 0 H SER A 48 -0.813 -11.454 -7.316 1.00 0.00 H new ATOM 0 HA SER A 48 -0.134 -13.974 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.964 -11.133 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.565 -12.510 -4.858 1.00 0.00 H new ATOM 0 HG SER A 48 2.810 -12.101 -6.772 1.00 0.00 H new ATOM 744 N GLU A 49 -1.192 -13.367 -3.726 1.00 0.00 N ATOM 745 CA GLU A 49 -2.014 -13.101 -2.549 1.00 0.00 C ATOM 746 C GLU A 49 -1.225 -12.281 -1.540 1.00 0.00 C ATOM 747 O GLU A 49 -1.790 -11.574 -0.709 1.00 0.00 O ATOM 748 CB GLU A 49 -2.462 -14.398 -1.874 1.00 0.00 C ATOM 749 CG GLU A 49 -2.869 -15.502 -2.833 1.00 0.00 C ATOM 750 CD GLU A 49 -3.599 -16.630 -2.132 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.178 -17.023 -1.028 1.00 0.00 O ATOM 752 OE2 GLU A 49 -4.604 -17.131 -2.681 1.00 0.00 O ATOM 0 H GLU A 49 -0.673 -14.244 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.895 -12.553 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.651 -14.763 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.303 -14.178 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.508 -15.087 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.981 -15.898 -3.327 1.00 0.00 H new ATOM 759 N ASP A 50 0.093 -12.400 -1.615 1.00 0.00 N ATOM 760 CA ASP A 50 0.981 -11.745 -0.663 1.00 0.00 C ATOM 761 C ASP A 50 1.506 -10.430 -1.218 1.00 0.00 C ATOM 762 O ASP A 50 2.161 -9.664 -0.511 1.00 0.00 O ATOM 763 CB ASP A 50 2.163 -12.656 -0.317 1.00 0.00 C ATOM 764 CG ASP A 50 1.748 -13.916 0.413 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.448 -14.934 -0.255 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.742 -13.903 1.659 1.00 0.00 O ATOM 0 H ASP A 50 0.574 -12.947 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 50 0.404 -11.541 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.684 -12.930 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.872 -12.103 0.299 1.00 0.00 H new ATOM 771 N GLU A 51 1.215 -10.168 -2.483 1.00 0.00 N ATOM 772 CA GLU A 51 1.731 -8.983 -3.151 1.00 0.00 C ATOM 773 C GLU A 51 0.613 -8.171 -3.789 1.00 0.00 C ATOM 774 O GLU A 51 -0.391 -8.711 -4.253 1.00 0.00 O ATOM 775 CB GLU A 51 2.747 -9.351 -4.236 1.00 0.00 C ATOM 776 CG GLU A 51 4.141 -9.708 -3.725 1.00 0.00 C ATOM 777 CD GLU A 51 4.240 -11.100 -3.136 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.891 -12.072 -3.838 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.696 -11.235 -1.977 1.00 0.00 O ATOM 0 H GLU A 51 0.625 -10.760 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 51 2.220 -8.384 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.358 -10.196 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.834 -8.514 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.852 -9.620 -4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.437 -8.982 -2.968 1.00 0.00 H new ATOM 786 N ILE A 52 0.814 -6.870 -3.815 1.00 0.00 N ATOM 787 CA ILE A 52 -0.075 -5.953 -4.502 1.00 0.00 C ATOM 788 C ILE A 52 0.744 -5.012 -5.367 1.00 0.00 C ATOM 789 O ILE A 52 1.961 -4.964 -5.252 1.00 0.00 O ATOM 790 CB ILE A 52 -0.946 -5.126 -3.524 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.093 -4.477 -2.423 1.00 0.00 C ATOM 792 CG2 ILE A 52 -2.037 -5.985 -2.917 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.416 -3.094 -2.774 1.00 0.00 C ATOM 0 H ILE A 52 1.604 -6.415 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.751 -6.550 -5.115 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.415 -4.326 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.684 -4.415 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.758 -5.123 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.636 -5.383 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.675 -6.377 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.586 -6.814 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.009 -2.704 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.035 -3.151 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.429 -2.431 -2.959 1.00 0.00 H new ATOM 805 N GLU A 53 0.086 -4.276 -6.230 1.00 0.00 N ATOM 806 CA GLU A 53 0.762 -3.283 -7.037 1.00 0.00 C ATOM 807 C GLU A 53 0.164 -1.921 -6.746 1.00 0.00 C ATOM 808 O GLU A 53 -1.052 -1.764 -6.776 1.00 0.00 O ATOM 809 CB GLU A 53 0.614 -3.628 -8.509 1.00 0.00 C ATOM 810 CG GLU A 53 1.344 -2.677 -9.439 1.00 0.00 C ATOM 811 CD GLU A 53 1.055 -2.952 -10.899 1.00 0.00 C ATOM 812 OE1 GLU A 53 0.073 -2.394 -11.437 1.00 0.00 O ATOM 813 OE2 GLU A 53 1.807 -3.726 -11.520 1.00 0.00 O ATOM 0 H GLU A 53 -0.919 -4.344 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 53 1.824 -3.267 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.986 -4.639 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.445 -3.631 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.057 -1.652 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.417 -2.756 -9.264 1.00 0.00 H new ATOM 820 N GLY A 54 1.001 -0.945 -6.455 1.00 0.00 N ATOM 821 CA GLY A 54 0.488 0.348 -6.072 1.00 0.00 C ATOM 822 C GLY A 54 1.289 1.492 -6.637 1.00 0.00 C ATOM 823 O GLY A 54 2.104 1.309 -7.542 1.00 0.00 O ATOM 0 H GLY A 54 2.018 -1.022 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.546 0.436 -6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.478 0.421 -4.984 1.00 0.00 H new ATOM 827 N ARG A 55 1.059 2.678 -6.101 1.00 0.00 N ATOM 828 CA ARG A 55 1.749 3.873 -6.543 1.00 0.00 C ATOM 829 C ARG A 55 1.832 4.877 -5.406 1.00 0.00 C ATOM 830 O ARG A 55 0.898 5.024 -4.615 1.00 0.00 O ATOM 831 CB ARG A 55 1.030 4.488 -7.742 1.00 0.00 C ATOM 832 CG ARG A 55 -0.433 4.781 -7.484 1.00 0.00 C ATOM 833 CD ARG A 55 -1.132 5.269 -8.739 1.00 0.00 C ATOM 834 NE ARG A 55 -2.581 5.326 -8.568 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.295 6.452 -8.604 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.691 7.628 -8.746 1.00 0.00 N ATOM 837 NH2 ARG A 55 -4.613 6.399 -8.488 1.00 0.00 N ATOM 0 H ARG A 55 0.389 2.838 -5.348 1.00 0.00 H new ATOM 0 HA ARG A 55 2.760 3.602 -6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.534 5.413 -8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.112 3.810 -8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.926 3.881 -7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.522 5.534 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.758 6.259 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.890 4.606 -9.570 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.079 4.449 -8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.675 7.673 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.243 8.485 -8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.079 5.499 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.162 7.258 -8.515 1.00 0.00 H new ATOM 851 N THR A 56 2.959 5.540 -5.319 1.00 0.00 N ATOM 852 CA THR A 56 3.185 6.545 -4.297 1.00 0.00 C ATOM 853 C THR A 56 3.753 7.812 -4.942 1.00 0.00 C ATOM 854 O THR A 56 3.861 7.885 -6.167 1.00 0.00 O ATOM 855 CB THR A 56 4.125 6.009 -3.185 1.00 0.00 C ATOM 856 OG1 THR A 56 4.287 6.977 -2.138 1.00 0.00 O ATOM 857 CG2 THR A 56 5.487 5.631 -3.751 1.00 0.00 C ATOM 0 H THR A 56 3.747 5.402 -5.951 1.00 0.00 H new ATOM 0 HA THR A 56 2.234 6.789 -3.823 1.00 0.00 H new ATOM 0 HB THR A 56 3.660 5.115 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.552 6.890 -1.496 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.124 5.259 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.364 4.855 -4.506 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.949 6.508 -4.204 1.00 0.00 H new ATOM 865 N ASP A 57 4.116 8.794 -4.123 1.00 0.00 N ATOM 866 CA ASP A 57 4.604 10.083 -4.618 1.00 0.00 C ATOM 867 C ASP A 57 5.909 9.926 -5.393 1.00 0.00 C ATOM 868 O ASP A 57 6.243 10.748 -6.244 1.00 0.00 O ATOM 869 CB ASP A 57 4.807 11.067 -3.457 1.00 0.00 C ATOM 870 CG ASP A 57 5.839 10.592 -2.450 1.00 0.00 C ATOM 871 OD1 ASP A 57 7.047 10.816 -2.673 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.449 9.986 -1.430 1.00 0.00 O ATOM 0 H ASP A 57 4.082 8.723 -3.106 1.00 0.00 H new ATOM 0 HA ASP A 57 3.848 10.479 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.115 12.033 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.855 11.221 -2.948 1.00 0.00 H new ATOM 877 N LYS A 58 6.641 8.865 -5.097 1.00 0.00 N ATOM 878 CA LYS A 58 7.900 8.598 -5.776 1.00 0.00 C ATOM 879 C LYS A 58 7.716 7.571 -6.889 1.00 0.00 C ATOM 880 O LYS A 58 7.733 7.911 -8.074 1.00 0.00 O ATOM 881 CB LYS A 58 8.948 8.119 -4.769 1.00 0.00 C ATOM 882 CG LYS A 58 9.498 9.235 -3.891 1.00 0.00 C ATOM 883 CD LYS A 58 10.234 8.690 -2.679 1.00 0.00 C ATOM 884 CE LYS A 58 9.266 8.160 -1.629 1.00 0.00 C ATOM 885 NZ LYS A 58 8.444 9.247 -1.031 1.00 0.00 N ATOM 0 H LYS A 58 6.386 8.174 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 58 8.248 9.525 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.506 7.351 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.772 7.651 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.174 9.858 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.679 9.875 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.908 7.892 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.851 9.476 -2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.610 7.417 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.826 7.654 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.577 8.842 -0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.989 9.723 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.191 9.936 -1.768 1.00 0.00 H new ATOM 899 N ILE A 59 7.512 6.318 -6.508 1.00 0.00 N ATOM 900 CA ILE A 59 7.394 5.240 -7.480 1.00 0.00 C ATOM 901 C ILE A 59 5.931 4.884 -7.712 1.00 0.00 C ATOM 902 O ILE A 59 5.185 4.638 -6.764 1.00 0.00 O ATOM 903 CB ILE A 59 8.147 3.974 -7.017 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.575 4.318 -6.579 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.170 2.934 -8.131 1.00 0.00 C ATOM 906 CD1 ILE A 59 10.431 4.910 -7.679 1.00 0.00 C ATOM 0 H ILE A 59 7.425 6.023 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 59 7.840 5.597 -8.408 1.00 0.00 H new ATOM 0 HB ILE A 59 7.619 3.557 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.530 5.023 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.057 3.415 -6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.704 2.047 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.148 2.662 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.674 3.348 -9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.426 5.126 -7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.510 4.199 -8.501 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.974 5.832 -8.039 1.00 0.00 H new ATOM 918 N LYS A 60 5.520 4.871 -8.966 1.00 0.00 N ATOM 919 CA LYS A 60 4.171 4.462 -9.314 1.00 0.00 C ATOM 920 C LYS A 60 4.200 3.183 -10.138 1.00 0.00 C ATOM 921 O LYS A 60 5.068 3.004 -10.993 1.00 0.00 O ATOM 922 CB LYS A 60 3.448 5.567 -10.089 1.00 0.00 C ATOM 923 CG LYS A 60 4.195 6.045 -11.322 1.00 0.00 C ATOM 924 CD LYS A 60 3.343 6.979 -12.170 1.00 0.00 C ATOM 925 CE LYS A 60 2.236 6.227 -12.896 1.00 0.00 C ATOM 926 NZ LYS A 60 2.775 5.328 -13.952 1.00 0.00 N ATOM 0 H LYS A 60 6.100 5.139 -9.761 1.00 0.00 H new ATOM 0 HA LYS A 60 3.626 4.275 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.466 5.203 -10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.284 6.415 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.107 6.559 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.498 5.185 -11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.904 7.749 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.975 7.488 -12.898 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.664 5.640 -12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.546 6.941 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.003 5.033 -14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.499 5.833 -14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.200 4.488 -13.509 1.00 0.00 H new ATOM 940 N GLY A 61 3.264 2.290 -9.859 1.00 0.00 N ATOM 941 CA GLY A 61 3.146 1.071 -10.634 1.00 0.00 C ATOM 942 C GLY A 61 4.140 0.015 -10.203 1.00 0.00 C ATOM 943 O GLY A 61 4.581 -0.799 -11.015 1.00 0.00 O ATOM 0 H GLY A 61 2.581 2.387 -9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.135 0.677 -10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.296 1.299 -11.689 1.00 0.00 H new ATOM 947 N LEU A 62 4.494 0.022 -8.926 1.00 0.00 N ATOM 948 CA LEU A 62 5.446 -0.942 -8.407 1.00 0.00 C ATOM 949 C LEU A 62 4.714 -2.046 -7.659 1.00 0.00 C ATOM 950 O LEU A 62 3.737 -1.792 -6.948 1.00 0.00 O ATOM 951 CB LEU A 62 6.497 -0.271 -7.503 1.00 0.00 C ATOM 952 CG LEU A 62 6.060 0.093 -6.076 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.261 0.561 -5.270 1.00 0.00 C ATOM 954 CD2 LEU A 62 4.987 1.172 -6.072 1.00 0.00 C ATOM 0 H LEU A 62 4.137 0.682 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 62 5.979 -1.380 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.358 -0.935 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.836 0.640 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 62 5.636 -0.802 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.943 0.817 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.003 -0.236 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.699 1.438 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.705 1.401 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.374 2.071 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.112 0.818 -6.618 1.00 0.00 H new ATOM 966 N VAL A 63 5.175 -3.269 -7.840 1.00 0.00 N ATOM 967 CA VAL A 63 4.560 -4.416 -7.199 1.00 0.00 C ATOM 968 C VAL A 63 5.282 -4.726 -5.898 1.00 0.00 C ATOM 969 O VAL A 63 6.470 -5.059 -5.900 1.00 0.00 O ATOM 970 CB VAL A 63 4.584 -5.663 -8.109 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.866 -6.832 -7.448 1.00 0.00 C ATOM 972 CG2 VAL A 63 3.966 -5.353 -9.464 1.00 0.00 C ATOM 0 H VAL A 63 5.977 -3.494 -8.428 1.00 0.00 H new ATOM 0 HA VAL A 63 3.518 -4.164 -6.999 1.00 0.00 H new ATOM 0 HB VAL A 63 5.625 -5.947 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.897 -7.698 -8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.358 -7.076 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.828 -6.559 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.993 -6.246 -10.089 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.932 -5.036 -9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.529 -4.555 -9.947 1.00 0.00 H new ATOM 982 N LEU A 64 4.570 -4.613 -4.796 1.00 0.00 N ATOM 983 CA LEU A 64 5.164 -4.828 -3.487 1.00 0.00 C ATOM 984 C LEU A 64 4.369 -5.813 -2.659 1.00 0.00 C ATOM 985 O LEU A 64 3.143 -5.870 -2.728 1.00 0.00 O ATOM 986 CB LEU A 64 5.303 -3.517 -2.713 1.00 0.00 C ATOM 987 CG LEU A 64 6.512 -2.669 -3.099 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.422 -1.291 -2.464 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.794 -3.376 -2.673 1.00 0.00 C ATOM 0 H LEU A 64 3.579 -4.374 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 64 6.155 -5.244 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.400 -2.926 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.362 -3.745 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 64 6.524 -2.541 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.292 -0.701 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.516 -0.791 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.393 -1.392 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.655 -2.767 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.787 -3.523 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.858 -4.344 -3.171 1.00 0.00 H new ATOM 1001 N ARG A 65 5.097 -6.592 -1.885 1.00 0.00 N ATOM 1002 CA ARG A 65 4.505 -7.498 -0.923 1.00 0.00 C ATOM 1003 C ARG A 65 3.801 -6.718 0.178 1.00 0.00 C ATOM 1004 O ARG A 65 4.341 -5.749 0.713 1.00 0.00 O ATOM 1005 CB ARG A 65 5.583 -8.391 -0.323 1.00 0.00 C ATOM 1006 CG ARG A 65 6.889 -7.661 -0.064 1.00 0.00 C ATOM 1007 CD ARG A 65 7.859 -8.530 0.713 1.00 0.00 C ATOM 1008 NE ARG A 65 9.096 -7.829 1.040 1.00 0.00 N ATOM 1009 CZ ARG A 65 9.844 -8.112 2.102 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.480 -9.079 2.938 1.00 0.00 N ATOM 1011 NH2 ARG A 65 10.958 -7.427 2.320 1.00 0.00 N ATOM 0 H ARG A 65 6.117 -6.614 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 65 3.769 -8.119 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.217 -8.811 0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.769 -9.227 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.339 -7.368 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.692 -6.744 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.382 -8.868 1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.093 -9.420 0.129 1.00 0.00 H new ATOM 0 HE ARG A 65 9.404 -7.080 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.624 -9.607 2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.056 -9.293 3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.237 -6.688 1.675 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.536 -7.639 3.133 1.00 0.00 H new ATOM 1025 N THR A 66 2.612 -7.163 0.528 1.00 0.00 N ATOM 1026 CA THR A 66 1.790 -6.477 1.510 1.00 0.00 C ATOM 1027 C THR A 66 2.099 -6.989 2.924 1.00 0.00 C ATOM 1028 O THR A 66 1.253 -6.960 3.820 1.00 0.00 O ATOM 1029 CB THR A 66 0.290 -6.657 1.163 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.538 -5.927 2.074 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.102 -8.127 1.177 1.00 0.00 C ATOM 0 H THR A 66 2.187 -8.007 0.143 1.00 0.00 H new ATOM 0 HA THR A 66 2.022 -5.412 1.485 1.00 0.00 H new ATOM 0 HB THR A 66 0.138 -6.264 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.137 -5.946 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.159 -8.224 0.930 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.493 -8.669 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.079 -8.542 2.168 1.00 0.00 H new ATOM 1039 N GLU A 67 3.345 -7.407 3.138 1.00 0.00 N ATOM 1040 CA GLU A 67 3.752 -7.956 4.424 1.00 0.00 C ATOM 1041 C GLU A 67 4.022 -6.829 5.390 1.00 0.00 C ATOM 1042 O GLU A 67 3.812 -6.942 6.598 1.00 0.00 O ATOM 1043 CB GLU A 67 5.017 -8.789 4.266 1.00 0.00 C ATOM 1044 CG GLU A 67 4.894 -9.857 3.209 1.00 0.00 C ATOM 1045 CD GLU A 67 6.051 -10.832 3.228 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.170 -11.607 4.197 1.00 0.00 O ATOM 1047 OE2 GLU A 67 6.848 -10.830 2.267 1.00 0.00 O ATOM 0 H GLU A 67 4.086 -7.375 2.438 1.00 0.00 H new ATOM 0 HA GLU A 67 2.951 -8.589 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.849 -8.131 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.258 -9.257 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.962 -10.402 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.837 -9.386 2.227 1.00 0.00 H new ATOM 1054 N PHE A 68 4.484 -5.740 4.820 1.00 0.00 N ATOM 1055 CA PHE A 68 4.913 -4.590 5.592 1.00 0.00 C ATOM 1056 C PHE A 68 4.050 -3.368 5.298 1.00 0.00 C ATOM 1057 O PHE A 68 4.420 -2.237 5.632 1.00 0.00 O ATOM 1058 CB PHE A 68 6.385 -4.306 5.294 1.00 0.00 C ATOM 1059 CG PHE A 68 6.687 -4.021 3.847 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.565 -2.743 3.335 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.108 -5.037 3.004 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.850 -2.481 2.009 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.396 -4.781 1.680 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.267 -3.502 1.179 1.00 0.00 C ATOM 0 H PHE A 68 4.574 -5.623 3.811 1.00 0.00 H new ATOM 0 HA PHE A 68 4.796 -4.814 6.652 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.706 -3.454 5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.979 -5.162 5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.243 -1.939 3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.212 -6.041 3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.747 -1.478 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.723 -5.583 1.034 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.491 -3.301 0.142 1.00 0.00 H new ATOM 1074 N LEU A 69 2.891 -3.594 4.697 1.00 0.00 N ATOM 1075 CA LEU A 69 2.000 -2.500 4.361 1.00 0.00 C ATOM 1076 C LEU A 69 0.778 -2.541 5.250 1.00 0.00 C ATOM 1077 O LEU A 69 0.312 -3.611 5.644 1.00 0.00 O ATOM 1078 CB LEU A 69 1.578 -2.550 2.890 1.00 0.00 C ATOM 1079 CG LEU A 69 2.725 -2.551 1.875 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.195 -2.810 0.475 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.481 -1.230 1.916 1.00 0.00 C ATOM 0 H LEU A 69 2.550 -4.519 4.435 1.00 0.00 H new ATOM 0 HA LEU A 69 2.539 -1.566 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.976 -3.445 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.935 -1.694 2.685 1.00 0.00 H new ATOM 0 HG LEU A 69 3.415 -3.352 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.023 -2.807 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.697 -3.779 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.484 -2.029 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.291 -1.252 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.800 -0.413 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.894 -1.078 2.913 1.00 0.00 H new ATOM 1093 N LYS A 70 0.284 -1.371 5.576 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.860 -1.233 6.449 1.00 0.00 C ATOM 1095 C LYS A 70 -1.976 -0.527 5.714 1.00 0.00 C ATOM 1096 O LYS A 70 -1.758 0.534 5.139 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.464 -0.431 7.686 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.028 -1.000 8.973 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.535 -0.847 9.048 1.00 0.00 C ATOM 1100 CE LYS A 70 -2.921 0.495 9.636 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.391 0.699 9.633 1.00 0.00 N ATOM 0 H LYS A 70 0.664 -0.485 5.243 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.204 -2.220 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.623 -0.398 7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.807 0.597 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.766 -2.055 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.569 -0.496 9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.963 -0.947 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.955 -1.648 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.547 0.565 10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.443 1.292 9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.653 1.348 10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.683 1.107 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.869 -0.214 9.773 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.161 -1.108 5.727 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.293 -0.497 5.056 1.00 0.00 C ATOM 1117 C LYS A 71 -4.616 0.843 5.714 1.00 0.00 C ATOM 1118 O LYS A 71 -4.777 0.928 6.936 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.504 -1.428 5.069 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.711 -0.850 4.355 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.856 -1.843 4.310 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.170 -1.167 3.963 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.076 -0.338 2.736 1.00 0.00 N ATOM 0 H LYS A 71 -3.364 -1.994 6.190 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.034 -0.320 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.232 -2.374 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.773 -1.649 6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.035 0.058 4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.434 -0.566 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.639 -2.616 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.946 -2.339 5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.940 -1.926 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.484 -0.540 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.902 -0.518 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.052 0.668 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.208 -0.582 2.218 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.701 1.880 4.896 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.769 3.248 5.389 1.00 0.00 C ATOM 1139 C ALA A 72 -6.158 3.595 5.903 1.00 0.00 C ATOM 1140 O ALA A 72 -7.126 2.876 5.655 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.344 4.220 4.298 1.00 0.00 C ATOM 0 H ALA A 72 -4.725 1.800 3.879 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.081 3.333 6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.399 5.240 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.321 4.001 3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.008 4.116 3.440 1.00 0.00 H new ATOM 1147 N GLY A 73 -6.241 4.698 6.631 1.00 0.00 N ATOM 1148 CA GLY A 73 -7.507 5.151 7.161 1.00 0.00 C ATOM 1149 C GLY A 73 -7.454 5.316 8.663 1.00 0.00 C ATOM 1150 O GLY A 73 -8.179 6.130 9.235 1.00 0.00 O ATOM 0 H GLY A 73 -5.445 5.292 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.777 6.101 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.288 4.437 6.900 1.00 0.00 H new ATOM 1154 N SER A 74 -6.589 4.538 9.297 1.00 0.00 N ATOM 1155 CA SER A 74 -6.403 4.586 10.738 1.00 0.00 C ATOM 1156 C SER A 74 -5.020 4.056 11.090 1.00 0.00 C ATOM 1157 O SER A 74 -4.842 2.822 11.095 1.00 0.00 O ATOM 1158 CB SER A 74 -7.482 3.761 11.450 1.00 0.00 C ATOM 1159 OG SER A 74 -8.781 4.217 11.109 1.00 0.00 O ATOM 1160 OXT SER A 74 -4.109 4.870 11.328 1.00 0.00 O ATOM 0 H SER A 74 -5.996 3.855 8.825 1.00 0.00 H new ATOM 0 HA SER A 74 -6.490 5.620 11.071 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.379 2.710 11.179 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.342 3.827 12.529 1.00 0.00 H new ATOM 0 HG SER A 74 -9.451 3.674 11.574 1.00 0.00 H new TER 1166 SER A 74