USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 200 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 112 THR OG1 : rot -48:sc= 0.168 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0.284 USER MOD Set 2.1: A 87 THR OG1 : rot -106:sc= 0.861 USER MOD Set 2.2: A 94 ASN : amide:sc= 0 K(o=0.86,f=-0.54) USER MOD Set 3.1: A 56 SER OG : rot 39:sc= -0.788 USER MOD Set 3.2: A 60 MET CE :methyl 150:sc= -2.36 (180deg=-2.51!) USER MOD Set 3.3: A 85 MET CE :methyl -111:sc= -0.619 (180deg=-2.68) USER MOD Set 4.1: A 47 GLN : amide:sc= 0.0709 X(o=0.071,f=-0.086) USER MOD Set 4.2: A 78 MET CE :methyl -131:sc= 0 (180deg=-0.676) USER MOD Set 5.1: A 26 LYS NZ :NH3+ -172:sc= -0.0187 (180deg=-0.121) USER MOD Set 5.2: A 31 ASN : amide:sc= -0.921 K(o=-0.94,f=-2.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0.0239 (180deg=0.0117) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 105:sc= 1.48 USER MOD Single : A 17 MET CE :methyl -145:sc= -0.0212 (180deg=-0.581) USER MOD Single : A 23 ASN : amide:sc= -1.76 K(o=-1.8,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= -0.669 K(o=-0.67,f=-1.9) USER MOD Single : A 44 ASN : amide:sc=-0.00774 K(o=-0.0077,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0.646 (180deg=0.619) USER MOD Single : A 51 TYR OH : rot 180:sc=-0.00433 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 63 MET CE :methyl -175:sc= 0 (180deg=-0.0144) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 26:sc= 0.611 USER MOD Single : A 79 SER OG : rot -90:sc= 1.32 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -143:sc=-0.00261 (180deg=-0.204) USER MOD Single : A 100 GLN : amide:sc= -2.04! C(o=-2!,f=-3.9!) USER MOD Single : A 104 SER OG : rot -119:sc= -0.243 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -117:sc= 0.561 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.515) USER MOD Single : A 121 ASN : amide:sc= -0.553 K(o=-0.55,f=-2.4) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -14.144 -2.245 -7.742 1.00 0.00 N ATOM 38 CA LYS A 4 -14.837 -2.302 -6.426 1.00 0.00 C ATOM 39 C LYS A 4 -14.377 -3.437 -5.493 1.00 0.00 C ATOM 40 O LYS A 4 -14.098 -3.206 -4.325 1.00 0.00 O ATOM 41 CB LYS A 4 -16.349 -2.413 -6.629 1.00 0.00 C ATOM 42 CG LYS A 4 -16.932 -1.229 -7.397 1.00 0.00 C ATOM 43 CD LYS A 4 -16.934 0.064 -6.574 1.00 0.00 C ATOM 44 CE LYS A 4 -17.234 1.237 -7.500 1.00 0.00 C ATOM 45 NZ LYS A 4 -17.667 2.390 -6.706 1.00 0.00 N ATOM 0 HA LYS A 4 -14.566 -1.370 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.572 -3.334 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.837 -2.485 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.356 -1.074 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.952 -1.464 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.682 0.007 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.968 0.204 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.346 1.493 -8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.011 0.961 -8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.872 3.190 -7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.525 2.142 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.912 2.658 -6.042 1.00 0.00 H new ATOM 50 N GLU A 5 -14.131 -4.615 -6.062 1.00 0.00 N ATOM 51 CA GLU A 5 -13.689 -5.763 -5.249 1.00 0.00 C ATOM 52 C GLU A 5 -12.204 -6.129 -5.385 1.00 0.00 C ATOM 53 O GLU A 5 -11.791 -7.285 -5.322 1.00 0.00 O ATOM 54 CB GLU A 5 -14.659 -6.953 -5.412 1.00 0.00 C ATOM 55 CG GLU A 5 -15.987 -6.680 -4.703 1.00 0.00 C ATOM 56 CD GLU A 5 -15.824 -6.421 -3.198 1.00 0.00 C ATOM 57 OE1 GLU A 5 -15.526 -7.404 -2.487 1.00 0.00 O ATOM 58 OE2 GLU A 5 -15.951 -5.239 -2.797 1.00 0.00 O ATOM 0 H GLU A 5 -14.225 -4.806 -7.060 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.744 -5.441 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.839 -7.137 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.204 -7.856 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.468 -5.817 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.652 -7.531 -4.849 1.00 0.00 H new ATOM 60 N LEU A 6 -11.418 -5.055 -5.333 1.00 0.00 N ATOM 61 CA LEU A 6 -9.943 -5.068 -5.401 1.00 0.00 C ATOM 62 C LEU A 6 -9.423 -5.365 -3.990 1.00 0.00 C ATOM 63 O LEU A 6 -9.873 -4.774 -3.014 1.00 0.00 O ATOM 64 CB LEU A 6 -9.506 -3.684 -5.886 1.00 0.00 C ATOM 65 CG LEU A 6 -7.999 -3.479 -6.098 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.416 -4.409 -7.149 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.770 -2.042 -6.568 1.00 0.00 C ATOM 0 H LEU A 6 -11.797 -4.113 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.551 -5.823 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.015 -3.475 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.853 -2.944 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.506 -3.693 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.348 -4.216 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.570 -5.444 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.911 -4.235 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.704 -1.876 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.304 -1.876 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.138 -1.349 -5.812 1.00 0.00 H new ATOM 69 N LYS A 7 -8.645 -6.429 -3.919 1.00 0.00 N ATOM 70 CA LYS A 7 -8.036 -6.904 -2.662 1.00 0.00 C ATOM 71 C LYS A 7 -6.805 -6.094 -2.236 1.00 0.00 C ATOM 72 O LYS A 7 -5.811 -5.990 -2.968 1.00 0.00 O ATOM 73 CB LYS A 7 -7.741 -8.395 -2.840 1.00 0.00 C ATOM 74 CG LYS A 7 -7.703 -9.163 -1.520 1.00 0.00 C ATOM 75 CD LYS A 7 -7.489 -10.639 -1.828 1.00 0.00 C ATOM 76 CE LYS A 7 -7.592 -11.516 -0.576 1.00 0.00 C ATOM 77 NZ LYS A 7 -7.335 -12.905 -0.972 1.00 0.00 N ATOM 0 H LYS A 7 -8.408 -7.001 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.732 -6.755 -1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.501 -8.834 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.784 -8.511 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.900 -8.788 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.634 -9.021 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.228 -10.966 -2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.508 -10.774 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.870 -11.194 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.581 -11.425 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.231 -13.495 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.131 -13.256 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.461 -12.950 -1.533 1.00 0.00 H new ATOM 82 N PHE A 8 -6.975 -5.443 -1.087 1.00 0.00 N ATOM 83 CA PHE A 8 -5.964 -4.585 -0.433 1.00 0.00 C ATOM 84 C PHE A 8 -5.332 -5.245 0.791 1.00 0.00 C ATOM 85 O PHE A 8 -6.006 -5.845 1.624 1.00 0.00 O ATOM 86 CB PHE A 8 -6.598 -3.295 0.110 1.00 0.00 C ATOM 87 CG PHE A 8 -7.040 -2.311 -0.964 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.254 -2.520 -1.646 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.132 -1.304 -1.381 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.524 -1.776 -2.812 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.416 -0.543 -2.541 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.595 -0.826 -3.268 1.00 0.00 C ATOM 0 H PHE A 8 -7.847 -5.494 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.221 -4.397 -1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.461 -3.558 0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.881 -2.801 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.969 -3.242 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.230 -1.119 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.444 -1.936 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.745 0.239 -2.864 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.785 -0.301 -4.193 1.00 0.00 H new ATOM 94 N LEU A 9 -4.016 -5.073 0.895 1.00 0.00 N ATOM 95 CA LEU A 9 -3.283 -5.560 2.071 1.00 0.00 C ATOM 96 C LEU A 9 -2.686 -4.358 2.815 1.00 0.00 C ATOM 97 O LEU A 9 -1.759 -3.688 2.358 1.00 0.00 O ATOM 98 CB LEU A 9 -2.254 -6.631 1.672 1.00 0.00 C ATOM 99 CG LEU A 9 -1.703 -7.463 2.839 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.457 -6.791 3.393 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.670 -7.857 3.948 1.00 0.00 C ATOM 0 H LEU A 9 -3.439 -4.608 0.194 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.957 -6.064 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.714 -7.305 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.420 -6.143 1.167 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.471 -8.431 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.064 -7.380 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.297 -6.719 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.709 -5.791 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.141 -8.440 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.082 -6.959 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.480 -8.454 3.529 1.00 0.00 H new ATOM 103 N VAL A 10 -3.430 -4.011 3.862 1.00 0.00 N ATOM 104 CA VAL A 10 -3.120 -2.867 4.739 1.00 0.00 C ATOM 105 C VAL A 10 -2.022 -3.282 5.732 1.00 0.00 C ATOM 106 O VAL A 10 -2.259 -4.021 6.699 1.00 0.00 O ATOM 107 CB VAL A 10 -4.402 -2.354 5.423 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.107 -1.190 6.363 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.440 -1.897 4.401 1.00 0.00 C ATOM 0 H VAL A 10 -4.274 -4.515 4.134 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.735 -2.029 4.158 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.799 -3.193 5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.034 -0.854 6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.410 -1.514 7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.666 -0.369 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.330 -1.542 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.026 -1.089 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.706 -2.733 3.754 1.00 0.00 H new ATOM 111 N VAL A 11 -0.825 -2.790 5.437 1.00 0.00 N ATOM 112 CA VAL A 11 0.388 -3.067 6.227 1.00 0.00 C ATOM 113 C VAL A 11 0.757 -1.838 7.073 1.00 0.00 C ATOM 114 O VAL A 11 1.387 -0.895 6.584 1.00 0.00 O ATOM 115 CB VAL A 11 1.633 -3.421 5.386 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.488 -4.384 6.197 1.00 0.00 C ATOM 117 CG2 VAL A 11 1.359 -3.993 3.994 1.00 0.00 C ATOM 0 H VAL A 11 -0.658 -2.180 4.636 1.00 0.00 H new ATOM 0 HA VAL A 11 0.132 -3.935 6.834 1.00 0.00 H new ATOM 0 HB VAL A 11 2.146 -2.481 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.377 -4.652 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.787 -3.907 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.914 -5.284 6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.305 -4.204 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.783 -4.914 4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.793 -3.269 3.408 1.00 0.00 H new ATOM 119 N ASP A 12 0.435 -1.920 8.353 1.00 0.00 N ATOM 120 CA ASP A 12 0.721 -0.833 9.303 1.00 0.00 C ATOM 121 C ASP A 12 1.065 -1.367 10.701 1.00 0.00 C ATOM 122 O ASP A 12 0.280 -2.094 11.305 1.00 0.00 O ATOM 123 CB ASP A 12 -0.474 0.136 9.344 1.00 0.00 C ATOM 124 CG ASP A 12 -0.127 1.464 10.000 1.00 0.00 C ATOM 125 OD1 ASP A 12 0.001 1.472 11.240 1.00 0.00 O ATOM 126 OD2 ASP A 12 0.066 2.444 9.247 1.00 0.00 O ATOM 0 H ASP A 12 -0.027 -2.728 8.770 1.00 0.00 H new ATOM 0 HA ASP A 12 1.603 -0.293 8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.825 0.317 8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.296 -0.330 9.887 1.00 0.00 H new ATOM 128 N ASP A 13 2.118 -0.786 11.270 1.00 0.00 N ATOM 129 CA ASP A 13 2.627 -1.155 12.606 1.00 0.00 C ATOM 130 C ASP A 13 1.694 -0.848 13.801 1.00 0.00 C ATOM 131 O ASP A 13 1.934 -1.307 14.911 1.00 0.00 O ATOM 132 CB ASP A 13 4.032 -0.570 12.819 1.00 0.00 C ATOM 133 CG ASP A 13 4.142 0.946 13.038 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.316 1.688 12.472 1.00 0.00 O ATOM 135 OD2 ASP A 13 5.072 1.331 13.784 1.00 0.00 O ATOM 0 H ASP A 13 2.651 -0.041 10.822 1.00 0.00 H new ATOM 0 HA ASP A 13 2.671 -2.244 12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.477 -1.068 13.681 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.640 -0.830 11.952 1.00 0.00 H new ATOM 137 N PHE A 14 0.711 0.014 13.560 1.00 0.00 N ATOM 138 CA PHE A 14 -0.293 0.391 14.566 1.00 0.00 C ATOM 139 C PHE A 14 -1.607 -0.299 14.168 1.00 0.00 C ATOM 140 O PHE A 14 -2.224 0.037 13.158 1.00 0.00 O ATOM 141 CB PHE A 14 -0.473 1.914 14.553 1.00 0.00 C ATOM 142 CG PHE A 14 -1.094 2.480 15.840 1.00 0.00 C ATOM 143 CD1 PHE A 14 -0.594 2.094 17.106 1.00 0.00 C ATOM 144 CD2 PHE A 14 -2.087 3.473 15.727 1.00 0.00 C ATOM 145 CE1 PHE A 14 -1.094 2.719 18.271 1.00 0.00 C ATOM 146 CE2 PHE A 14 -2.594 4.096 16.885 1.00 0.00 C ATOM 147 CZ PHE A 14 -2.094 3.709 18.151 1.00 0.00 C ATOM 0 H PHE A 14 0.582 0.476 12.660 1.00 0.00 H new ATOM 0 HA PHE A 14 0.012 0.088 15.568 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.498 2.383 14.393 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.103 2.188 13.707 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.164 1.328 17.182 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.459 3.757 14.754 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.715 2.442 19.244 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.354 4.859 16.807 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.484 4.179 19.042 1.00 0.00 H new ATOM 149 N SER A 15 -1.988 -1.282 14.982 1.00 0.00 N ATOM 150 CA SER A 15 -3.217 -2.078 14.789 1.00 0.00 C ATOM 151 C SER A 15 -4.456 -1.219 14.487 1.00 0.00 C ATOM 152 O SER A 15 -5.071 -1.376 13.430 1.00 0.00 O ATOM 153 CB SER A 15 -3.481 -2.986 15.990 1.00 0.00 C ATOM 154 OG SER A 15 -3.508 -2.215 17.198 1.00 0.00 O ATOM 0 H SER A 15 -1.452 -1.558 15.805 1.00 0.00 H new ATOM 0 HA SER A 15 -3.038 -2.694 13.908 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.430 -3.505 15.860 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.706 -3.750 16.055 1.00 0.00 H new ATOM 0 HG SER A 15 -3.680 -2.807 17.960 1.00 0.00 H new ATOM 157 N THR A 16 -4.667 -0.195 15.312 1.00 0.00 N ATOM 158 CA THR A 16 -5.773 0.776 15.169 1.00 0.00 C ATOM 159 C THR A 16 -5.721 1.545 13.837 1.00 0.00 C ATOM 160 O THR A 16 -6.764 1.711 13.189 1.00 0.00 O ATOM 161 CB THR A 16 -5.799 1.790 16.323 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.595 1.701 17.104 1.00 0.00 O ATOM 163 CG2 THR A 16 -7.042 1.591 17.198 1.00 0.00 C ATOM 0 H THR A 16 -4.069 -0.005 16.116 1.00 0.00 H new ATOM 0 HA THR A 16 -6.684 0.177 15.190 1.00 0.00 H new ATOM 0 HB THR A 16 -5.850 2.792 15.896 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.013 2.461 16.895 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.037 2.321 18.008 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.938 1.726 16.593 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.035 0.585 17.616 1.00 0.00 H new ATOM 166 N MET A 17 -4.523 1.911 13.392 1.00 0.00 N ATOM 167 CA MET A 17 -4.344 2.622 12.107 1.00 0.00 C ATOM 168 C MET A 17 -4.817 1.774 10.909 1.00 0.00 C ATOM 169 O MET A 17 -5.498 2.285 10.031 1.00 0.00 O ATOM 170 CB MET A 17 -2.905 3.114 11.943 1.00 0.00 C ATOM 171 CG MET A 17 -2.691 3.913 10.648 1.00 0.00 C ATOM 172 SD MET A 17 -3.840 5.325 10.455 1.00 0.00 S ATOM 173 CE MET A 17 -3.974 5.371 8.687 1.00 0.00 C ATOM 0 H MET A 17 -3.654 1.732 13.895 1.00 0.00 H new ATOM 0 HA MET A 17 -4.983 3.505 12.126 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.640 3.738 12.797 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.230 2.258 11.952 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.666 4.284 10.626 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.806 3.244 9.795 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.068 6.405 8.356 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.083 4.928 8.243 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.854 4.808 8.374 1.00 0.00 H new ATOM 175 N ARG A 18 -4.545 0.468 10.962 1.00 0.00 N ATOM 176 CA ARG A 18 -4.965 -0.481 9.912 1.00 0.00 C ATOM 177 C ARG A 18 -6.492 -0.428 9.701 1.00 0.00 C ATOM 178 O ARG A 18 -6.974 -0.154 8.604 1.00 0.00 O ATOM 179 CB ARG A 18 -4.594 -1.929 10.228 1.00 0.00 C ATOM 180 CG ARG A 18 -3.092 -2.199 10.350 1.00 0.00 C ATOM 181 CD ARG A 18 -2.806 -3.681 10.589 1.00 0.00 C ATOM 182 NE ARG A 18 -3.563 -4.176 11.756 1.00 0.00 N ATOM 183 CZ ARG A 18 -3.762 -5.449 12.090 1.00 0.00 C ATOM 184 NH1 ARG A 18 -3.201 -6.461 11.447 1.00 0.00 N ATOM 185 NH2 ARG A 18 -4.524 -5.727 13.133 1.00 0.00 N ATOM 0 H ARG A 18 -4.030 0.034 11.728 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.433 -0.170 9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.077 -2.217 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.001 -2.572 9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.588 -1.872 9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.681 -1.611 11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.076 -4.256 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.738 -3.829 10.752 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.975 -3.472 12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.583 -6.283 10.655 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.386 -7.419 11.743 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.950 -4.971 13.669 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.686 -6.697 13.402 1.00 0.00 H new ATOM 192 N ARG A 19 -7.202 -0.480 10.832 1.00 0.00 N ATOM 193 CA ARG A 19 -8.681 -0.416 10.883 1.00 0.00 C ATOM 194 C ARG A 19 -9.236 0.835 10.191 1.00 0.00 C ATOM 195 O ARG A 19 -10.210 0.754 9.436 1.00 0.00 O ATOM 196 CB ARG A 19 -9.119 -0.488 12.353 1.00 0.00 C ATOM 197 CG ARG A 19 -10.632 -0.676 12.508 1.00 0.00 C ATOM 198 CD ARG A 19 -11.086 -2.019 11.915 1.00 0.00 C ATOM 199 NE ARG A 19 -12.301 -1.798 11.106 1.00 0.00 N ATOM 200 CZ ARG A 19 -13.556 -1.746 11.565 1.00 0.00 C ATOM 201 NH1 ARG A 19 -13.880 -2.044 12.806 1.00 0.00 N ATOM 202 NH2 ARG A 19 -14.531 -1.459 10.721 1.00 0.00 N ATOM 0 H ARG A 19 -6.770 -0.569 11.752 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.091 -1.263 10.333 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.602 -1.313 12.842 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.816 0.426 12.864 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.901 -0.631 13.563 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.156 0.140 12.011 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.295 -2.445 11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.289 -2.734 12.712 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.171 -1.673 10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.158 -2.331 13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.853 -1.988 13.106 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.320 -1.282 9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.495 -1.415 11.051 1.00 0.00 H new ATOM 209 N ILE A 20 -8.580 1.976 10.408 1.00 0.00 N ATOM 210 CA ILE A 20 -8.960 3.264 9.780 1.00 0.00 C ATOM 211 C ILE A 20 -8.945 3.133 8.243 1.00 0.00 C ATOM 212 O ILE A 20 -9.972 3.338 7.608 1.00 0.00 O ATOM 213 CB ILE A 20 -8.048 4.389 10.320 1.00 0.00 C ATOM 214 CG1 ILE A 20 -8.394 4.620 11.812 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.149 5.697 9.526 1.00 0.00 C ATOM 216 CD1 ILE A 20 -7.320 5.370 12.607 1.00 0.00 C ATOM 0 H ILE A 20 -7.769 2.044 11.022 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.982 3.534 10.047 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.013 4.066 10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.328 5.178 11.873 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.569 3.654 12.285 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.482 6.440 9.962 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.863 5.517 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.174 6.065 9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.647 5.486 13.640 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.388 4.805 12.583 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.160 6.353 12.164 1.00 0.00 H new ATOM 218 N VAL A 21 -7.835 2.618 7.705 1.00 0.00 N ATOM 219 CA VAL A 21 -7.657 2.412 6.245 1.00 0.00 C ATOM 220 C VAL A 21 -8.762 1.483 5.706 1.00 0.00 C ATOM 221 O VAL A 21 -9.385 1.817 4.703 1.00 0.00 O ATOM 222 CB VAL A 21 -6.266 1.850 5.877 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.980 2.089 4.397 1.00 0.00 C ATOM 224 CG2 VAL A 21 -5.120 2.488 6.664 1.00 0.00 C ATOM 0 H VAL A 21 -7.029 2.329 8.260 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.732 3.393 5.777 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.307 0.789 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.997 1.689 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.739 1.589 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.000 3.159 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.174 2.045 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.099 3.561 6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.269 2.314 7.730 1.00 0.00 H new ATOM 226 N ARG A 22 -9.067 0.417 6.454 1.00 0.00 N ATOM 227 CA ARG A 22 -10.148 -0.536 6.101 1.00 0.00 C ATOM 228 C ARG A 22 -11.479 0.208 5.874 1.00 0.00 C ATOM 229 O ARG A 22 -11.999 0.200 4.755 1.00 0.00 O ATOM 230 CB ARG A 22 -10.302 -1.600 7.205 1.00 0.00 C ATOM 231 CG ARG A 22 -11.381 -2.638 6.870 1.00 0.00 C ATOM 232 CD ARG A 22 -11.695 -3.576 8.044 1.00 0.00 C ATOM 233 NE ARG A 22 -10.550 -4.447 8.380 1.00 0.00 N ATOM 234 CZ ARG A 22 -10.150 -5.532 7.703 1.00 0.00 C ATOM 235 NH1 ARG A 22 -10.760 -5.967 6.610 1.00 0.00 N ATOM 236 NH2 ARG A 22 -9.142 -6.255 8.165 1.00 0.00 N ATOM 0 H ARG A 22 -8.579 0.183 7.319 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.878 -1.036 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.348 -2.106 7.354 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.553 -1.110 8.146 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.293 -2.122 6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.054 -3.231 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.968 -2.984 8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.558 -4.193 7.794 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.011 -4.198 9.209 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.574 -5.470 6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.416 -6.799 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.675 -5.985 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.832 -7.082 7.655 1.00 0.00 H new ATOM 243 N ASN A 23 -11.883 0.999 6.870 1.00 0.00 N ATOM 244 CA ASN A 23 -13.117 1.809 6.811 1.00 0.00 C ATOM 245 C ASN A 23 -13.135 2.807 5.637 1.00 0.00 C ATOM 246 O ASN A 23 -14.129 2.901 4.916 1.00 0.00 O ATOM 247 CB ASN A 23 -13.365 2.506 8.154 1.00 0.00 C ATOM 248 CG ASN A 23 -13.899 1.510 9.185 1.00 0.00 C ATOM 249 OD1 ASN A 23 -15.021 1.037 9.106 1.00 0.00 O ATOM 250 ND2 ASN A 23 -13.098 1.145 10.164 1.00 0.00 N ATOM 0 H ASN A 23 -11.368 1.101 7.745 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.940 1.120 6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.438 2.951 8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.079 3.319 8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.415 0.467 10.857 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.160 1.540 10.230 1.00 0.00 H new ATOM 254 N LEU A 24 -11.983 3.422 5.377 1.00 0.00 N ATOM 255 CA LEU A 24 -11.801 4.369 4.265 1.00 0.00 C ATOM 256 C LEU A 24 -12.020 3.690 2.907 1.00 0.00 C ATOM 257 O LEU A 24 -12.848 4.130 2.108 1.00 0.00 O ATOM 258 CB LEU A 24 -10.387 4.970 4.322 1.00 0.00 C ATOM 259 CG LEU A 24 -10.162 5.856 5.550 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.733 6.417 5.538 1.00 0.00 C ATOM 261 CD2 LEU A 24 -11.152 7.024 5.676 1.00 0.00 C ATOM 0 H LEU A 24 -11.140 3.280 5.933 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.544 5.160 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.655 4.162 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.211 5.557 3.420 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.327 5.209 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.582 7.046 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.019 5.594 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.582 7.010 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.922 7.601 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.070 7.667 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.168 6.634 5.746 1.00 0.00 H new ATOM 263 N LEU A 25 -11.294 2.602 2.695 1.00 0.00 N ATOM 264 CA LEU A 25 -11.393 1.763 1.474 1.00 0.00 C ATOM 265 C LEU A 25 -12.832 1.291 1.219 1.00 0.00 C ATOM 266 O LEU A 25 -13.383 1.509 0.138 1.00 0.00 O ATOM 267 CB LEU A 25 -10.456 0.555 1.554 1.00 0.00 C ATOM 268 CG LEU A 25 -9.020 1.036 1.412 1.00 0.00 C ATOM 269 CD1 LEU A 25 -8.000 0.034 1.958 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.664 1.388 -0.037 1.00 0.00 C ATOM 0 H LEU A 25 -10.606 2.259 3.365 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.088 2.391 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.588 0.038 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.694 -0.160 0.766 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.965 1.941 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.994 0.432 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.189 -0.137 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.090 -0.908 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.629 1.726 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.788 0.507 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.322 2.182 -0.391 1.00 0.00 H new ATOM 272 N LYS A 26 -13.445 0.856 2.314 1.00 0.00 N ATOM 273 CA LYS A 26 -14.850 0.392 2.364 1.00 0.00 C ATOM 274 C LYS A 26 -15.795 1.499 1.849 1.00 0.00 C ATOM 275 O LYS A 26 -16.484 1.296 0.850 1.00 0.00 O ATOM 276 CB LYS A 26 -15.159 -0.007 3.801 1.00 0.00 C ATOM 277 CG LYS A 26 -16.483 -0.767 3.938 1.00 0.00 C ATOM 278 CD LYS A 26 -16.684 -1.396 5.325 1.00 0.00 C ATOM 279 CE LYS A 26 -15.624 -2.446 5.711 1.00 0.00 C ATOM 280 NZ LYS A 26 -15.480 -3.474 4.666 1.00 0.00 N ATOM 0 H LYS A 26 -12.978 0.810 3.220 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.001 -0.472 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.348 -0.628 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.194 0.888 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.308 -0.085 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.523 -1.551 3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.681 -0.603 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.668 -1.863 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.665 -1.954 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.904 -2.919 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.863 -4.236 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.415 -3.865 4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.061 -3.048 3.815 1.00 0.00 H new ATOM 285 N GLU A 27 -15.608 2.707 2.374 1.00 0.00 N ATOM 286 CA GLU A 27 -16.355 3.928 2.027 1.00 0.00 C ATOM 287 C GLU A 27 -16.294 4.263 0.518 1.00 0.00 C ATOM 288 O GLU A 27 -17.278 4.700 -0.064 1.00 0.00 O ATOM 289 CB GLU A 27 -15.747 5.062 2.845 1.00 0.00 C ATOM 290 CG GLU A 27 -16.297 5.129 4.278 1.00 0.00 C ATOM 291 CD GLU A 27 -15.588 6.235 5.071 1.00 0.00 C ATOM 292 OE1 GLU A 27 -14.546 5.928 5.690 1.00 0.00 O ATOM 293 OE2 GLU A 27 -16.115 7.373 5.050 1.00 0.00 O ATOM 0 H GLU A 27 -14.899 2.877 3.088 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.411 3.781 2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.665 4.936 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.941 6.010 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.370 5.320 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.155 4.169 4.774 1.00 0.00 H new ATOM 295 N LEU A 28 -15.121 4.025 -0.075 1.00 0.00 N ATOM 296 CA LEU A 28 -14.842 4.242 -1.512 1.00 0.00 C ATOM 297 C LEU A 28 -15.483 3.196 -2.448 1.00 0.00 C ATOM 298 O LEU A 28 -15.595 3.409 -3.650 1.00 0.00 O ATOM 299 CB LEU A 28 -13.325 4.214 -1.741 1.00 0.00 C ATOM 300 CG LEU A 28 -12.566 5.286 -0.939 1.00 0.00 C ATOM 301 CD1 LEU A 28 -11.071 4.994 -0.986 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.880 6.703 -1.409 1.00 0.00 C ATOM 0 H LEU A 28 -14.314 3.667 0.436 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.283 5.208 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.942 3.230 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.123 4.354 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.905 5.237 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.534 5.754 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.878 4.013 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.730 5.007 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.318 7.418 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.600 6.809 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.947 6.895 -1.297 1.00 0.00 H new ATOM 304 N GLY A 29 -15.848 2.046 -1.867 1.00 0.00 N ATOM 305 CA GLY A 29 -16.436 0.903 -2.586 1.00 0.00 C ATOM 306 C GLY A 29 -15.521 -0.349 -2.581 1.00 0.00 C ATOM 307 O GLY A 29 -15.990 -1.446 -2.875 1.00 0.00 O ATOM 0 H GLY A 29 -15.742 1.879 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.394 0.649 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.639 1.194 -3.617 1.00 0.00 H new ATOM 309 N PHE A 30 -14.321 -0.185 -2.039 1.00 0.00 N ATOM 310 CA PHE A 30 -13.296 -1.243 -1.957 1.00 0.00 C ATOM 311 C PHE A 30 -13.419 -1.984 -0.614 1.00 0.00 C ATOM 312 O PHE A 30 -12.755 -1.673 0.380 1.00 0.00 O ATOM 313 CB PHE A 30 -11.889 -0.646 -2.134 1.00 0.00 C ATOM 314 CG PHE A 30 -11.681 0.151 -3.423 1.00 0.00 C ATOM 315 CD1 PHE A 30 -12.102 -0.351 -4.680 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.065 1.420 -3.333 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.889 0.412 -5.846 1.00 0.00 C ATOM 318 CE2 PHE A 30 -10.852 2.182 -4.500 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.276 1.669 -5.749 1.00 0.00 C ATOM 0 H PHE A 30 -14.017 0.700 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.456 -1.959 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.677 0.004 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.161 -1.456 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.584 -1.315 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.758 1.805 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.196 0.030 -6.808 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.370 3.147 -4.441 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.125 2.256 -6.643 1.00 0.00 H new ATOM 321 N ASN A 31 -14.297 -2.972 -0.643 1.00 0.00 N ATOM 322 CA ASN A 31 -14.629 -3.800 0.532 1.00 0.00 C ATOM 323 C ASN A 31 -13.712 -5.015 0.817 1.00 0.00 C ATOM 324 O ASN A 31 -13.740 -5.563 1.913 1.00 0.00 O ATOM 325 CB ASN A 31 -16.098 -4.231 0.444 1.00 0.00 C ATOM 326 CG ASN A 31 -17.050 -3.063 0.720 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.589 -2.905 1.808 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.341 -2.243 -0.274 1.00 0.00 N ATOM 0 H ASN A 31 -14.811 -3.234 -1.484 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.448 -3.153 1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.299 -4.638 -0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.286 -5.031 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.010 -1.486 -0.132 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.897 -2.367 -1.184 1.00 0.00 H new ATOM 332 N ASN A 32 -12.790 -5.311 -0.102 1.00 0.00 N ATOM 333 CA ASN A 32 -11.881 -6.461 0.039 1.00 0.00 C ATOM 334 C ASN A 32 -10.513 -6.000 0.590 1.00 0.00 C ATOM 335 O ASN A 32 -9.649 -5.484 -0.129 1.00 0.00 O ATOM 336 CB ASN A 32 -11.760 -7.184 -1.305 1.00 0.00 C ATOM 337 CG ASN A 32 -11.343 -8.654 -1.149 1.00 0.00 C ATOM 338 OD1 ASN A 32 -10.808 -9.118 -0.155 1.00 0.00 O ATOM 339 ND2 ASN A 32 -11.593 -9.433 -2.184 1.00 0.00 N ATOM 0 H ASN A 32 -12.650 -4.771 -0.956 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.287 -7.170 0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.715 -7.135 -1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.029 -6.667 -1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.339 -10.420 -2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.040 -9.048 -3.016 1.00 0.00 H new ATOM 343 N VAL A 33 -10.418 -6.085 1.913 1.00 0.00 N ATOM 344 CA VAL A 33 -9.225 -5.676 2.676 1.00 0.00 C ATOM 345 C VAL A 33 -8.766 -6.789 3.644 1.00 0.00 C ATOM 346 O VAL A 33 -9.590 -7.453 4.286 1.00 0.00 O ATOM 347 CB VAL A 33 -9.520 -4.347 3.414 1.00 0.00 C ATOM 348 CG1 VAL A 33 -8.444 -3.926 4.423 1.00 0.00 C ATOM 349 CG2 VAL A 33 -9.725 -3.206 2.428 1.00 0.00 C ATOM 0 H VAL A 33 -11.171 -6.443 2.500 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.397 -5.511 1.986 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.432 -4.547 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.733 -2.985 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.341 -4.696 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.492 -3.797 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.930 -2.285 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.825 -3.078 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.567 -3.436 1.775 1.00 0.00 H new ATOM 351 N GLU A 34 -7.460 -6.998 3.667 1.00 0.00 N ATOM 352 CA GLU A 34 -6.769 -7.943 4.553 1.00 0.00 C ATOM 353 C GLU A 34 -5.695 -7.112 5.259 1.00 0.00 C ATOM 354 O GLU A 34 -5.225 -6.103 4.721 1.00 0.00 O ATOM 355 CB GLU A 34 -6.166 -9.048 3.681 1.00 0.00 C ATOM 356 CG GLU A 34 -6.409 -10.466 4.199 1.00 0.00 C ATOM 357 CD GLU A 34 -5.522 -10.819 5.406 1.00 0.00 C ATOM 358 OE1 GLU A 34 -5.895 -10.395 6.519 1.00 0.00 O ATOM 359 OE2 GLU A 34 -4.498 -11.489 5.178 1.00 0.00 O ATOM 0 H GLU A 34 -6.821 -6.499 3.049 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.415 -8.423 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.579 -8.966 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.092 -8.884 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.457 -10.571 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.222 -11.179 3.396 1.00 0.00 H new ATOM 361 N GLU A 35 -5.338 -7.479 6.493 1.00 0.00 N ATOM 362 CA GLU A 35 -4.361 -6.671 7.241 1.00 0.00 C ATOM 363 C GLU A 35 -3.143 -7.372 7.853 1.00 0.00 C ATOM 364 O GLU A 35 -3.214 -8.480 8.373 1.00 0.00 O ATOM 365 CB GLU A 35 -5.080 -5.843 8.315 1.00 0.00 C ATOM 366 CG GLU A 35 -6.092 -4.863 7.699 1.00 0.00 C ATOM 367 CD GLU A 35 -6.880 -3.991 8.678 1.00 0.00 C ATOM 368 OE1 GLU A 35 -7.128 -4.437 9.822 1.00 0.00 O ATOM 369 OE2 GLU A 35 -7.260 -2.885 8.236 1.00 0.00 O ATOM 0 H GLU A 35 -5.693 -8.299 6.984 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.915 -6.054 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.595 -6.512 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.345 -5.288 8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.557 -4.207 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.803 -5.436 7.104 1.00 0.00 H new ATOM 371 N ALA A 36 -2.042 -6.639 7.750 1.00 0.00 N ATOM 372 CA ALA A 36 -0.713 -7.048 8.258 1.00 0.00 C ATOM 373 C ALA A 36 -0.076 -5.913 9.077 1.00 0.00 C ATOM 374 O ALA A 36 -0.299 -4.741 8.790 1.00 0.00 O ATOM 375 CB ALA A 36 0.193 -7.406 7.079 1.00 0.00 C ATOM 0 H ALA A 36 -2.034 -5.722 7.304 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.834 -7.917 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.172 -7.707 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.250 -8.228 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.303 -6.538 6.428 1.00 0.00 H new ATOM 377 N GLU A 37 0.779 -6.282 10.022 1.00 0.00 N ATOM 378 CA GLU A 37 1.424 -5.250 10.874 1.00 0.00 C ATOM 379 C GLU A 37 2.857 -4.846 10.509 1.00 0.00 C ATOM 380 O GLU A 37 3.224 -3.678 10.642 1.00 0.00 O ATOM 381 CB GLU A 37 1.168 -5.444 12.380 1.00 0.00 C ATOM 382 CG GLU A 37 1.413 -6.838 12.962 1.00 0.00 C ATOM 383 CD GLU A 37 2.907 -7.186 13.080 1.00 0.00 C ATOM 384 OE1 GLU A 37 3.522 -6.724 14.059 1.00 0.00 O ATOM 385 OE2 GLU A 37 3.391 -7.869 12.151 1.00 0.00 O ATOM 0 H GLU A 37 1.045 -7.245 10.226 1.00 0.00 H new ATOM 0 HA GLU A 37 0.881 -4.345 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.796 -4.737 12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.133 -5.171 12.584 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.952 -6.900 13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.921 -7.580 12.333 1.00 0.00 H new ATOM 387 N ASP A 38 3.620 -5.750 9.892 1.00 0.00 N ATOM 388 CA ASP A 38 5.002 -5.453 9.475 1.00 0.00 C ATOM 389 C ASP A 38 5.323 -6.123 8.125 1.00 0.00 C ATOM 390 O ASP A 38 4.609 -7.050 7.733 1.00 0.00 O ATOM 391 CB ASP A 38 6.038 -5.801 10.556 1.00 0.00 C ATOM 392 CG ASP A 38 6.212 -7.286 10.928 1.00 0.00 C ATOM 393 OD1 ASP A 38 6.048 -8.133 10.011 1.00 0.00 O ATOM 394 OD2 ASP A 38 6.588 -7.543 12.086 1.00 0.00 O ATOM 0 H ASP A 38 3.309 -6.695 9.668 1.00 0.00 H new ATOM 0 HA ASP A 38 5.071 -4.374 9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.006 -5.422 10.228 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.773 -5.257 11.462 1.00 0.00 H new ATOM 396 N GLY A 39 6.429 -5.715 7.506 1.00 0.00 N ATOM 397 CA GLY A 39 6.907 -6.239 6.208 1.00 0.00 C ATOM 398 C GLY A 39 6.869 -7.767 6.055 1.00 0.00 C ATOM 399 O GLY A 39 6.237 -8.285 5.143 1.00 0.00 O ATOM 0 H GLY A 39 7.038 -4.995 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.305 -5.797 5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.932 -5.902 6.056 1.00 0.00 H new ATOM 401 N VAL A 40 7.414 -8.439 7.066 1.00 0.00 N ATOM 402 CA VAL A 40 7.465 -9.922 7.125 1.00 0.00 C ATOM 403 C VAL A 40 6.042 -10.517 7.061 1.00 0.00 C ATOM 404 O VAL A 40 5.693 -11.149 6.059 1.00 0.00 O ATOM 405 CB VAL A 40 8.207 -10.412 8.392 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.391 -11.927 8.341 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.589 -9.764 8.546 1.00 0.00 C ATOM 0 H VAL A 40 7.837 -7.983 7.875 1.00 0.00 H new ATOM 0 HA VAL A 40 8.026 -10.271 6.258 1.00 0.00 H new ATOM 0 HB VAL A 40 7.592 -10.125 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.914 -12.260 9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.415 -12.410 8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.975 -12.193 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.069 -10.140 9.449 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.204 -10.008 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.478 -8.682 8.618 1.00 0.00 H new ATOM 409 N ASP A 41 5.188 -10.099 7.997 1.00 0.00 N ATOM 410 CA ASP A 41 3.779 -10.551 8.089 1.00 0.00 C ATOM 411 C ASP A 41 3.015 -10.308 6.769 1.00 0.00 C ATOM 412 O ASP A 41 2.234 -11.154 6.337 1.00 0.00 O ATOM 413 CB ASP A 41 3.144 -9.804 9.260 1.00 0.00 C ATOM 414 CG ASP A 41 1.748 -10.289 9.651 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.527 -11.524 9.651 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.959 -9.396 10.041 1.00 0.00 O ATOM 0 H ASP A 41 5.447 -9.432 8.723 1.00 0.00 H new ATOM 0 HA ASP A 41 3.734 -11.627 8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.799 -9.892 10.127 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.088 -8.745 9.009 1.00 0.00 H new ATOM 418 N ALA A 42 3.359 -9.202 6.112 1.00 0.00 N ATOM 419 CA ALA A 42 2.766 -8.809 4.816 1.00 0.00 C ATOM 420 C ALA A 42 3.134 -9.790 3.701 1.00 0.00 C ATOM 421 O ALA A 42 2.224 -10.372 3.127 1.00 0.00 O ATOM 422 CB ALA A 42 3.220 -7.390 4.457 1.00 0.00 C ATOM 0 H ALA A 42 4.059 -8.545 6.457 1.00 0.00 H new ATOM 0 HA ALA A 42 1.681 -8.831 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.783 -7.099 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.893 -6.696 5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.307 -7.364 4.382 1.00 0.00 H new ATOM 424 N LEU A 43 4.424 -10.079 3.544 1.00 0.00 N ATOM 425 CA LEU A 43 4.937 -11.043 2.544 1.00 0.00 C ATOM 426 C LEU A 43 4.255 -12.419 2.699 1.00 0.00 C ATOM 427 O LEU A 43 3.775 -12.981 1.721 1.00 0.00 O ATOM 428 CB LEU A 43 6.452 -11.225 2.634 1.00 0.00 C ATOM 429 CG LEU A 43 7.251 -10.065 2.031 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.729 -10.248 2.353 1.00 0.00 C ATOM 431 CD2 LEU A 43 7.075 -9.946 0.514 1.00 0.00 C ATOM 0 H LEU A 43 5.159 -9.652 4.108 1.00 0.00 H new ATOM 0 HA LEU A 43 4.700 -10.622 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.733 -11.342 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.729 -12.148 2.125 1.00 0.00 H new ATOM 0 HG LEU A 43 6.867 -9.146 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.299 -9.424 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.867 -10.262 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.080 -11.190 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.664 -9.107 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.412 -10.865 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.023 -9.781 0.282 1.00 0.00 H new ATOM 433 N ASN A 44 4.173 -12.861 3.959 1.00 0.00 N ATOM 434 CA ASN A 44 3.509 -14.121 4.363 1.00 0.00 C ATOM 435 C ASN A 44 2.057 -14.173 3.869 1.00 0.00 C ATOM 436 O ASN A 44 1.682 -15.058 3.106 1.00 0.00 O ATOM 437 CB ASN A 44 3.561 -14.232 5.892 1.00 0.00 C ATOM 438 CG ASN A 44 4.963 -14.494 6.458 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.967 -13.908 6.077 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.041 -15.350 7.449 1.00 0.00 N ATOM 0 H ASN A 44 4.571 -12.349 4.746 1.00 0.00 H new ATOM 0 HA ASN A 44 4.033 -14.962 3.909 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.173 -13.310 6.325 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.898 -15.037 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.938 -15.526 7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.204 -15.839 7.767 1.00 0.00 H new ATOM 444 N LYS A 45 1.306 -13.140 4.224 1.00 0.00 N ATOM 445 CA LYS A 45 -0.108 -12.947 3.839 1.00 0.00 C ATOM 446 C LYS A 45 -0.338 -12.805 2.320 1.00 0.00 C ATOM 447 O LYS A 45 -1.199 -13.475 1.751 1.00 0.00 O ATOM 448 CB LYS A 45 -0.658 -11.742 4.607 1.00 0.00 C ATOM 449 CG LYS A 45 -1.234 -12.257 5.926 1.00 0.00 C ATOM 450 CD LYS A 45 -1.402 -11.164 6.967 1.00 0.00 C ATOM 451 CE LYS A 45 -1.935 -11.815 8.244 1.00 0.00 C ATOM 452 NZ LYS A 45 -1.799 -10.892 9.369 1.00 0.00 N ATOM 0 H LYS A 45 1.664 -12.383 4.806 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.651 -13.853 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.131 -11.014 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.428 -11.236 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.201 -12.722 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.579 -13.033 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.450 -10.669 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.092 -10.400 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.982 -12.090 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.387 -12.735 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.116 -11.360 10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.803 -10.611 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.381 -10.048 9.198 1.00 0.00 H new ATOM 457 N LEU A 46 0.513 -11.991 1.692 1.00 0.00 N ATOM 458 CA LEU A 46 0.498 -11.733 0.242 1.00 0.00 C ATOM 459 C LEU A 46 0.563 -12.996 -0.637 1.00 0.00 C ATOM 460 O LEU A 46 -0.084 -13.046 -1.679 1.00 0.00 O ATOM 461 CB LEU A 46 1.619 -10.751 -0.121 1.00 0.00 C ATOM 462 CG LEU A 46 1.183 -9.307 0.135 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.395 -8.383 0.251 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.239 -8.820 -0.958 1.00 0.00 C ATOM 0 H LEU A 46 1.248 -11.481 2.182 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.474 -11.292 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.509 -10.976 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.890 -10.873 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 46 0.645 -9.284 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.058 -7.362 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.024 -8.710 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.968 -8.416 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.056 -7.791 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.744 -8.867 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.648 -9.454 -0.982 1.00 0.00 H new ATOM 466 N GLN A 47 1.195 -14.046 -0.109 1.00 0.00 N ATOM 467 CA GLN A 47 1.351 -15.349 -0.787 1.00 0.00 C ATOM 468 C GLN A 47 0.014 -16.016 -1.186 1.00 0.00 C ATOM 469 O GLN A 47 -0.031 -16.758 -2.170 1.00 0.00 O ATOM 470 CB GLN A 47 2.157 -16.339 0.067 1.00 0.00 C ATOM 471 CG GLN A 47 3.592 -15.876 0.386 1.00 0.00 C ATOM 472 CD GLN A 47 4.429 -15.516 -0.858 1.00 0.00 C ATOM 473 OE1 GLN A 47 4.561 -16.267 -1.817 1.00 0.00 O ATOM 474 NE2 GLN A 47 5.027 -14.343 -0.827 1.00 0.00 N ATOM 0 H GLN A 47 1.622 -14.022 0.817 1.00 0.00 H new ATOM 0 HA GLN A 47 1.891 -15.114 -1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.626 -16.510 1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.203 -17.296 -0.453 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.544 -15.007 1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.103 -16.665 0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.906 -13.730 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.611 -14.047 -1.609 1.00 0.00 H new ATOM 478 N ALA A 48 -1.059 -15.680 -0.469 1.00 0.00 N ATOM 479 CA ALA A 48 -2.425 -16.188 -0.721 1.00 0.00 C ATOM 480 C ALA A 48 -3.007 -15.806 -2.094 1.00 0.00 C ATOM 481 O ALA A 48 -3.967 -16.432 -2.560 1.00 0.00 O ATOM 482 CB ALA A 48 -3.353 -15.692 0.395 1.00 0.00 C ATOM 0 H ALA A 48 -1.011 -15.035 0.320 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.354 -17.276 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.363 -16.061 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.995 -16.060 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.361 -14.602 0.404 1.00 0.00 H new ATOM 484 N GLY A 49 -2.423 -14.780 -2.715 1.00 0.00 N ATOM 485 CA GLY A 49 -2.854 -14.253 -4.029 1.00 0.00 C ATOM 486 C GLY A 49 -4.106 -13.376 -3.928 1.00 0.00 C ATOM 487 O GLY A 49 -4.558 -13.004 -2.849 1.00 0.00 O ATOM 0 H GLY A 49 -1.626 -14.279 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.042 -13.673 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.051 -15.086 -4.704 1.00 0.00 H new ATOM 489 N GLY A 50 -4.522 -12.889 -5.098 1.00 0.00 N ATOM 490 CA GLY A 50 -5.714 -12.014 -5.238 1.00 0.00 C ATOM 491 C GLY A 50 -5.440 -10.531 -4.958 1.00 0.00 C ATOM 492 O GLY A 50 -6.115 -9.668 -5.513 1.00 0.00 O ATOM 0 H GLY A 50 -4.051 -13.083 -5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.108 -12.115 -6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.490 -12.364 -4.557 1.00 0.00 H new ATOM 494 N TYR A 51 -4.484 -10.256 -4.064 1.00 0.00 N ATOM 495 CA TYR A 51 -4.097 -8.876 -3.693 1.00 0.00 C ATOM 496 C TYR A 51 -3.583 -8.111 -4.912 1.00 0.00 C ATOM 497 O TYR A 51 -2.582 -8.478 -5.508 1.00 0.00 O ATOM 498 CB TYR A 51 -3.000 -8.838 -2.623 1.00 0.00 C ATOM 499 CG TYR A 51 -3.350 -9.637 -1.372 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.092 -9.012 -0.352 1.00 0.00 C ATOM 501 CD2 TYR A 51 -2.895 -10.968 -1.265 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.362 -9.742 0.826 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.172 -11.701 -0.094 1.00 0.00 C ATOM 504 CZ TYR A 51 -3.900 -11.071 0.941 1.00 0.00 C ATOM 505 OH TYR A 51 -4.111 -11.759 2.089 1.00 0.00 O ATOM 0 H TYR A 51 -3.954 -10.976 -3.574 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.999 -8.412 -3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.075 -9.227 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.811 -7.802 -2.343 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.446 -7.998 -0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.340 -11.421 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.918 -9.287 1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.835 -12.722 0.011 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.733 -12.659 2.005 1.00 0.00 H new ATOM 508 N GLY A 52 -4.376 -7.111 -5.270 1.00 0.00 N ATOM 509 CA GLY A 52 -4.083 -6.220 -6.406 1.00 0.00 C ATOM 510 C GLY A 52 -3.607 -4.834 -5.949 1.00 0.00 C ATOM 511 O GLY A 52 -3.645 -3.899 -6.753 1.00 0.00 O ATOM 0 H GLY A 52 -5.245 -6.886 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.318 -6.676 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.977 -6.111 -7.020 1.00 0.00 H new ATOM 513 N PHE A 53 -3.224 -4.720 -4.674 1.00 0.00 N ATOM 514 CA PHE A 53 -2.739 -3.460 -4.062 1.00 0.00 C ATOM 515 C PHE A 53 -2.173 -3.676 -2.655 1.00 0.00 C ATOM 516 O PHE A 53 -2.787 -4.294 -1.785 1.00 0.00 O ATOM 517 CB PHE A 53 -3.899 -2.465 -3.980 1.00 0.00 C ATOM 518 CG PHE A 53 -3.478 -1.036 -4.326 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.656 -0.300 -3.450 1.00 0.00 C ATOM 520 CD2 PHE A 53 -3.966 -0.460 -5.523 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.321 1.035 -3.764 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.637 0.872 -5.844 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.815 1.609 -4.954 1.00 0.00 C ATOM 0 H PHE A 53 -3.239 -5.504 -4.022 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.935 -3.077 -4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.691 -2.780 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.317 -2.482 -2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.284 -0.754 -2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.589 -1.040 -6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.693 1.611 -3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.005 1.324 -6.753 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.562 2.631 -5.192 1.00 0.00 H new ATOM 525 N VAL A 54 -1.012 -3.064 -2.440 1.00 0.00 N ATOM 526 CA VAL A 54 -0.284 -3.109 -1.152 1.00 0.00 C ATOM 527 C VAL A 54 -0.127 -1.677 -0.631 1.00 0.00 C ATOM 528 O VAL A 54 0.470 -0.808 -1.287 1.00 0.00 O ATOM 529 CB VAL A 54 1.099 -3.790 -1.309 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.807 -3.924 0.047 1.00 0.00 C ATOM 531 CG2 VAL A 54 0.982 -5.191 -1.923 1.00 0.00 C ATOM 0 H VAL A 54 -0.536 -2.514 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.853 -3.704 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 54 1.678 -3.150 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.775 -4.405 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.953 -2.935 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.196 -4.527 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.975 -5.632 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.364 -5.819 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.524 -5.119 -2.910 1.00 0.00 H new ATOM 533 N ILE A 55 -0.658 -1.456 0.568 1.00 0.00 N ATOM 534 CA ILE A 55 -0.598 -0.147 1.256 1.00 0.00 C ATOM 535 C ILE A 55 0.314 -0.363 2.470 1.00 0.00 C ATOM 536 O ILE A 55 -0.089 -0.981 3.456 1.00 0.00 O ATOM 537 CB ILE A 55 -2.031 0.344 1.577 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.777 0.681 0.289 1.00 0.00 C ATOM 539 CG2 ILE A 55 -1.990 1.544 2.553 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.261 1.027 0.461 1.00 0.00 C ATOM 0 H ILE A 55 -1.146 -2.175 1.101 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.177 0.656 0.651 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.578 -0.458 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.278 1.523 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.695 -0.167 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.007 1.874 2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.505 1.242 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.430 2.362 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.698 1.250 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.783 0.180 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.359 1.897 1.111 1.00 0.00 H new ATOM 542 N SER A 56 1.574 0.041 2.307 1.00 0.00 N ATOM 543 CA SER A 56 2.594 -0.122 3.358 1.00 0.00 C ATOM 544 C SER A 56 3.135 1.148 3.985 1.00 0.00 C ATOM 545 O SER A 56 3.568 2.095 3.322 1.00 0.00 O ATOM 546 CB SER A 56 3.754 -1.019 2.910 1.00 0.00 C ATOM 547 OG SER A 56 4.777 -1.088 3.907 1.00 0.00 O ATOM 0 H SER A 56 1.919 0.486 1.456 1.00 0.00 H new ATOM 0 HA SER A 56 2.029 -0.609 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.380 -2.021 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.175 -0.635 1.981 1.00 0.00 H new ATOM 0 HG SER A 56 4.366 -1.121 4.796 1.00 0.00 H new ATOM 550 N ASP A 57 2.946 1.160 5.291 1.00 0.00 N ATOM 551 CA ASP A 57 3.413 2.225 6.195 1.00 0.00 C ATOM 552 C ASP A 57 4.942 2.189 6.313 1.00 0.00 C ATOM 553 O ASP A 57 5.500 1.192 6.760 1.00 0.00 O ATOM 554 CB ASP A 57 2.647 1.981 7.498 1.00 0.00 C ATOM 555 CG ASP A 57 3.308 2.341 8.829 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.042 3.351 8.869 1.00 0.00 O ATOM 557 OD2 ASP A 57 3.015 1.590 9.781 1.00 0.00 O ATOM 0 H ASP A 57 2.451 0.413 5.778 1.00 0.00 H new ATOM 0 HA ASP A 57 3.213 3.237 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.710 2.534 7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.390 0.922 7.535 1.00 0.00 H new ATOM 559 N TRP A 58 5.555 3.343 6.069 1.00 0.00 N ATOM 560 CA TRP A 58 7.022 3.514 6.105 1.00 0.00 C ATOM 561 C TRP A 58 7.654 2.997 7.414 1.00 0.00 C ATOM 562 O TRP A 58 8.554 2.154 7.384 1.00 0.00 O ATOM 563 CB TRP A 58 7.373 4.989 5.904 1.00 0.00 C ATOM 564 CG TRP A 58 8.747 5.163 5.245 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.928 5.217 5.863 1.00 0.00 C ATOM 566 CD2 TRP A 58 8.979 5.324 3.888 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.898 5.421 4.969 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.372 5.490 3.739 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.132 5.345 2.762 1.00 0.00 C ATOM 570 CZ2 TRP A 58 10.943 5.653 2.452 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.706 5.498 1.489 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.099 5.643 1.335 1.00 0.00 C ATOM 0 H TRP A 58 5.052 4.200 5.838 1.00 0.00 H new ATOM 0 HA TRP A 58 7.436 2.913 5.295 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.611 5.463 5.286 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.365 5.499 6.867 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.077 5.111 6.927 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.890 5.511 5.189 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.063 5.245 2.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.009 5.782 2.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.070 5.505 0.616 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.520 5.747 0.346 1.00 0.00 H new ATOM 575 N ASN A 59 7.022 3.347 8.527 1.00 0.00 N ATOM 576 CA ASN A 59 7.460 2.963 9.877 1.00 0.00 C ATOM 577 C ASN A 59 6.862 1.587 10.239 1.00 0.00 C ATOM 578 O ASN A 59 5.666 1.458 10.516 1.00 0.00 O ATOM 579 CB ASN A 59 6.999 4.052 10.850 1.00 0.00 C ATOM 580 CG ASN A 59 7.651 3.908 12.220 1.00 0.00 C ATOM 581 OD1 ASN A 59 8.849 3.687 12.363 1.00 0.00 O ATOM 582 ND2 ASN A 59 6.861 3.993 13.258 1.00 0.00 N ATOM 0 H ASN A 59 6.175 3.916 8.525 1.00 0.00 H new ATOM 0 HA ASN A 59 8.545 2.874 9.930 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.237 5.032 10.436 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.915 4.007 10.958 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.239 3.875 14.198 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.866 4.177 13.128 1.00 0.00 H new ATOM 586 N MET A 60 7.709 0.561 10.160 1.00 0.00 N ATOM 587 CA MET A 60 7.333 -0.845 10.428 1.00 0.00 C ATOM 588 C MET A 60 8.496 -1.640 11.044 1.00 0.00 C ATOM 589 O MET A 60 9.618 -1.519 10.553 1.00 0.00 O ATOM 590 CB MET A 60 6.845 -1.470 9.112 1.00 0.00 C ATOM 591 CG MET A 60 5.320 -1.465 8.989 1.00 0.00 C ATOM 592 SD MET A 60 4.651 -1.603 7.279 1.00 0.00 S ATOM 593 CE MET A 60 5.810 -2.682 6.450 1.00 0.00 C ATOM 0 H MET A 60 8.690 0.674 9.906 1.00 0.00 H new ATOM 0 HA MET A 60 6.531 -0.875 11.165 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.275 -0.924 8.273 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.208 -2.496 9.044 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.924 -2.290 9.581 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.942 -0.544 9.433 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.292 -3.245 5.674 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.603 -2.086 5.998 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.244 -3.374 7.172 1.00 0.00 H new ATOM 595 N PRO A 61 8.260 -2.383 12.138 1.00 0.00 N ATOM 596 CA PRO A 61 9.299 -3.190 12.817 1.00 0.00 C ATOM 597 C PRO A 61 9.756 -4.350 11.932 1.00 0.00 C ATOM 598 O PRO A 61 9.013 -4.811 11.057 1.00 0.00 O ATOM 599 CB PRO A 61 8.644 -3.693 14.106 1.00 0.00 C ATOM 600 CG PRO A 61 7.149 -3.731 13.772 1.00 0.00 C ATOM 601 CD PRO A 61 6.968 -2.535 12.841 1.00 0.00 C ATOM 0 HA PRO A 61 10.195 -2.606 13.028 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.016 -4.679 14.384 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.849 -3.027 14.944 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.869 -4.665 13.286 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.534 -3.641 14.667 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.155 -2.706 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.718 -1.635 13.402 1.00 0.00 H new ATOM 602 N ASN A 62 11.029 -4.712 12.118 1.00 0.00 N ATOM 603 CA ASN A 62 11.743 -5.790 11.389 1.00 0.00 C ATOM 604 C ASN A 62 12.013 -5.385 9.929 1.00 0.00 C ATOM 605 O ASN A 62 13.115 -4.942 9.599 1.00 0.00 O ATOM 606 CB ASN A 62 11.042 -7.155 11.486 1.00 0.00 C ATOM 607 CG ASN A 62 10.820 -7.606 12.935 1.00 0.00 C ATOM 608 OD1 ASN A 62 9.881 -7.203 13.602 1.00 0.00 O ATOM 609 ND2 ASN A 62 11.719 -8.420 13.449 1.00 0.00 N ATOM 0 H ASN A 62 11.623 -4.250 12.806 1.00 0.00 H new ATOM 0 HA ASN A 62 12.704 -5.918 11.887 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.081 -7.102 10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.639 -7.903 10.965 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.637 -8.723 14.419 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.497 -8.747 12.877 1.00 0.00 H new ATOM 613 N MET A 63 10.944 -5.354 9.132 1.00 0.00 N ATOM 614 CA MET A 63 11.000 -4.984 7.713 1.00 0.00 C ATOM 615 C MET A 63 10.104 -3.747 7.497 1.00 0.00 C ATOM 616 O MET A 63 8.883 -3.828 7.637 1.00 0.00 O ATOM 617 CB MET A 63 10.537 -6.183 6.872 1.00 0.00 C ATOM 618 CG MET A 63 10.713 -5.954 5.369 1.00 0.00 C ATOM 619 SD MET A 63 10.109 -7.324 4.315 1.00 0.00 S ATOM 620 CE MET A 63 11.340 -8.570 4.635 1.00 0.00 C ATOM 0 H MET A 63 10.005 -5.587 9.454 1.00 0.00 H new ATOM 0 HA MET A 63 12.014 -4.730 7.405 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.099 -7.068 7.169 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.487 -6.386 7.084 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.189 -5.040 5.090 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.770 -5.791 5.161 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.158 -9.434 3.996 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.330 -8.165 4.425 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.286 -8.875 5.680 1.00 0.00 H new ATOM 622 N ASP A 64 10.771 -2.595 7.445 1.00 0.00 N ATOM 623 CA ASP A 64 10.115 -1.292 7.222 1.00 0.00 C ATOM 624 C ASP A 64 9.384 -1.219 5.869 1.00 0.00 C ATOM 625 O ASP A 64 9.752 -1.955 4.955 1.00 0.00 O ATOM 626 CB ASP A 64 11.101 -0.125 7.436 1.00 0.00 C ATOM 627 CG ASP A 64 12.178 0.055 6.354 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.791 0.157 5.168 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.358 0.149 6.729 1.00 0.00 O ATOM 0 H ASP A 64 11.783 -2.531 7.556 1.00 0.00 H new ATOM 0 HA ASP A 64 9.335 -1.191 7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.528 0.800 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.598 -0.267 8.395 1.00 0.00 H new ATOM 631 N GLY A 65 8.544 -0.193 5.714 1.00 0.00 N ATOM 632 CA GLY A 65 7.719 0.033 4.500 1.00 0.00 C ATOM 633 C GLY A 65 8.474 -0.101 3.174 1.00 0.00 C ATOM 634 O GLY A 65 8.223 -1.016 2.393 1.00 0.00 O ATOM 0 H GLY A 65 8.408 0.520 6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.891 -0.676 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.284 1.031 4.555 1.00 0.00 H new ATOM 636 N LEU A 66 9.531 0.689 3.046 1.00 0.00 N ATOM 637 CA LEU A 66 10.396 0.709 1.855 1.00 0.00 C ATOM 638 C LEU A 66 11.045 -0.659 1.528 1.00 0.00 C ATOM 639 O LEU A 66 11.058 -1.090 0.381 1.00 0.00 O ATOM 640 CB LEU A 66 11.412 1.834 2.071 1.00 0.00 C ATOM 641 CG LEU A 66 12.324 2.053 0.871 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.576 2.498 -0.387 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.360 3.127 1.190 1.00 0.00 C ATOM 0 H LEU A 66 9.823 1.345 3.770 1.00 0.00 H new ATOM 0 HA LEU A 66 9.799 0.904 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.879 2.760 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.021 1.603 2.945 1.00 0.00 H new ATOM 0 HG LEU A 66 12.788 1.087 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.286 2.636 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.847 1.737 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.062 3.439 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.007 3.276 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.853 4.062 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.961 2.811 2.043 1.00 0.00 H new ATOM 645 N GLU A 67 11.427 -1.400 2.575 1.00 0.00 N ATOM 646 CA GLU A 67 12.023 -2.747 2.416 1.00 0.00 C ATOM 647 C GLU A 67 11.002 -3.762 1.890 1.00 0.00 C ATOM 648 O GLU A 67 11.308 -4.531 0.977 1.00 0.00 O ATOM 649 CB GLU A 67 12.644 -3.236 3.724 1.00 0.00 C ATOM 650 CG GLU A 67 13.893 -2.433 4.109 1.00 0.00 C ATOM 651 CD GLU A 67 14.406 -2.852 5.475 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.651 -2.619 6.450 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.511 -3.433 5.521 1.00 0.00 O ATOM 0 H GLU A 67 11.337 -1.096 3.545 1.00 0.00 H new ATOM 0 HA GLU A 67 12.816 -2.660 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.907 -3.163 4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.907 -4.289 3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.672 -2.584 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.659 -1.369 4.115 1.00 0.00 H new ATOM 655 N LEU A 68 9.766 -3.658 2.397 1.00 0.00 N ATOM 656 CA LEU A 68 8.642 -4.514 1.960 1.00 0.00 C ATOM 657 C LEU A 68 8.396 -4.346 0.447 1.00 0.00 C ATOM 658 O LEU A 68 8.295 -5.342 -0.285 1.00 0.00 O ATOM 659 CB LEU A 68 7.381 -4.179 2.767 1.00 0.00 C ATOM 660 CG LEU A 68 6.133 -4.924 2.273 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.251 -6.444 2.384 1.00 0.00 C ATOM 662 CD2 LEU A 68 4.911 -4.449 3.045 1.00 0.00 C ATOM 0 H LEU A 68 9.512 -2.983 3.119 1.00 0.00 H new ATOM 0 HA LEU A 68 8.897 -5.558 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.552 -4.425 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.199 -3.105 2.717 1.00 0.00 H new ATOM 0 HG LEU A 68 6.031 -4.693 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.335 -6.908 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.095 -6.788 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.407 -6.722 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.028 -4.981 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.052 -4.647 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.776 -3.378 2.890 1.00 0.00 H new ATOM 664 N LEU A 69 8.454 -3.100 -0.002 1.00 0.00 N ATOM 665 CA LEU A 69 8.319 -2.703 -1.411 1.00 0.00 C ATOM 666 C LEU A 69 9.324 -3.469 -2.307 1.00 0.00 C ATOM 667 O LEU A 69 8.895 -4.230 -3.169 1.00 0.00 O ATOM 668 CB LEU A 69 8.469 -1.174 -1.405 1.00 0.00 C ATOM 669 CG LEU A 69 8.796 -0.517 -2.749 1.00 0.00 C ATOM 670 CD1 LEU A 69 7.760 -0.821 -3.826 1.00 0.00 C ATOM 671 CD2 LEU A 69 8.941 0.989 -2.543 1.00 0.00 C ATOM 0 H LEU A 69 8.601 -2.305 0.620 1.00 0.00 H new ATOM 0 HA LEU A 69 7.358 -2.968 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.542 -0.741 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.254 -0.910 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 69 9.735 -0.938 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.046 -0.328 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.708 -1.898 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.785 -0.454 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.174 1.466 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.007 1.394 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.745 1.183 -1.833 1.00 0.00 H new ATOM 673 N LYS A 70 10.575 -3.505 -1.860 1.00 0.00 N ATOM 674 CA LYS A 70 11.673 -4.214 -2.552 1.00 0.00 C ATOM 675 C LYS A 70 11.397 -5.730 -2.631 1.00 0.00 C ATOM 676 O LYS A 70 11.442 -6.307 -3.721 1.00 0.00 O ATOM 677 CB LYS A 70 13.009 -3.970 -1.856 1.00 0.00 C ATOM 678 CG LYS A 70 13.390 -2.494 -1.844 1.00 0.00 C ATOM 679 CD LYS A 70 14.706 -2.298 -1.110 1.00 0.00 C ATOM 680 CE LYS A 70 15.039 -0.812 -0.986 1.00 0.00 C ATOM 681 NZ LYS A 70 16.365 -0.682 -0.362 1.00 0.00 N ATOM 0 H LYS A 70 10.869 -3.042 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 70 11.726 -3.816 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.956 -4.338 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.789 -4.541 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.477 -2.125 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.605 -1.912 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.645 -2.746 -0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.506 -2.812 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.034 -0.339 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.286 -0.304 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.608 0.325 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.350 -1.122 0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.076 -1.157 -0.955 1.00 0.00 H new ATOM 686 N THR A 71 10.995 -6.331 -1.511 1.00 0.00 N ATOM 687 CA THR A 71 10.639 -7.770 -1.405 1.00 0.00 C ATOM 688 C THR A 71 9.489 -8.172 -2.338 1.00 0.00 C ATOM 689 O THR A 71 9.483 -9.281 -2.872 1.00 0.00 O ATOM 690 CB THR A 71 10.494 -8.225 0.046 1.00 0.00 C ATOM 691 OG1 THR A 71 9.748 -7.305 0.839 1.00 0.00 O ATOM 692 CG2 THR A 71 11.872 -8.483 0.646 1.00 0.00 C ATOM 0 H THR A 71 10.902 -5.832 -0.626 1.00 0.00 H new ATOM 0 HA THR A 71 11.486 -8.342 -1.784 1.00 0.00 H new ATOM 0 HB THR A 71 9.924 -9.154 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.142 -6.793 0.263 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.763 -8.807 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.378 -9.260 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.461 -7.566 0.613 1.00 0.00 H new ATOM 695 N ILE A 72 8.555 -7.239 -2.582 1.00 0.00 N ATOM 696 CA ILE A 72 7.415 -7.423 -3.511 1.00 0.00 C ATOM 697 C ILE A 72 7.952 -7.335 -4.966 1.00 0.00 C ATOM 698 O ILE A 72 7.881 -8.309 -5.705 1.00 0.00 O ATOM 699 CB ILE A 72 6.295 -6.393 -3.253 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.752 -6.527 -1.818 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.145 -6.553 -4.255 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.022 -5.265 -1.346 1.00 0.00 C ATOM 0 H ILE A 72 8.565 -6.321 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 72 6.966 -8.402 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 72 6.730 -5.402 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.071 -7.377 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.578 -6.741 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.374 -5.812 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.522 -6.407 -5.267 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.721 -7.553 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.660 -5.413 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.708 -4.418 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.178 -5.064 -2.006 1.00 0.00 H new ATOM 704 N ARG A 73 8.616 -6.219 -5.257 1.00 0.00 N ATOM 705 CA ARG A 73 9.241 -5.899 -6.573 1.00 0.00 C ATOM 706 C ARG A 73 10.146 -7.043 -7.069 1.00 0.00 C ATOM 707 O ARG A 73 10.007 -7.509 -8.203 1.00 0.00 O ATOM 708 CB ARG A 73 10.004 -4.578 -6.511 1.00 0.00 C ATOM 709 CG ARG A 73 9.038 -3.393 -6.414 1.00 0.00 C ATOM 710 CD ARG A 73 8.171 -3.258 -7.666 1.00 0.00 C ATOM 711 NE ARG A 73 7.044 -2.349 -7.410 1.00 0.00 N ATOM 712 CZ ARG A 73 5.844 -2.671 -6.939 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.533 -3.885 -6.524 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.935 -1.720 -6.815 1.00 0.00 N ATOM 0 H ARG A 73 8.748 -5.476 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 73 8.435 -5.788 -7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.672 -4.579 -5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.628 -4.472 -7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.397 -3.518 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.605 -2.474 -6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.771 -2.880 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.797 -4.237 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 73 7.201 -1.363 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.230 -4.629 -6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.596 -4.079 -6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.161 -0.761 -7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.007 -1.945 -6.456 1.00 0.00 H new ATOM 721 N ALA A 74 11.007 -7.530 -6.182 1.00 0.00 N ATOM 722 CA ALA A 74 11.964 -8.631 -6.433 1.00 0.00 C ATOM 723 C ALA A 74 11.325 -10.022 -6.651 1.00 0.00 C ATOM 724 O ALA A 74 11.921 -10.903 -7.265 1.00 0.00 O ATOM 725 CB ALA A 74 12.951 -8.704 -5.259 1.00 0.00 C ATOM 0 H ALA A 74 11.070 -7.165 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 74 12.459 -8.390 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.662 -9.512 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.488 -7.759 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.404 -8.893 -4.335 1.00 0.00 H new ATOM 727 N ASP A 75 10.103 -10.202 -6.159 1.00 0.00 N ATOM 728 CA ASP A 75 9.357 -11.467 -6.272 1.00 0.00 C ATOM 729 C ASP A 75 8.652 -11.525 -7.640 1.00 0.00 C ATOM 730 O ASP A 75 7.668 -10.822 -7.845 1.00 0.00 O ATOM 731 CB ASP A 75 8.361 -11.559 -5.115 1.00 0.00 C ATOM 732 CG ASP A 75 7.507 -12.836 -5.109 1.00 0.00 C ATOM 733 OD1 ASP A 75 6.775 -13.044 -6.109 1.00 0.00 O ATOM 734 OD2 ASP A 75 7.630 -13.591 -4.129 1.00 0.00 O ATOM 0 H ASP A 75 9.591 -9.471 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 75 10.033 -12.320 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.909 -11.499 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.698 -10.694 -5.153 1.00 0.00 H new ATOM 736 N GLY A 76 9.132 -12.418 -8.495 1.00 0.00 N ATOM 737 CA GLY A 76 8.616 -12.683 -9.857 1.00 0.00 C ATOM 738 C GLY A 76 7.127 -12.349 -10.074 1.00 0.00 C ATOM 739 O GLY A 76 6.808 -11.326 -10.681 1.00 0.00 O ATOM 0 H GLY A 76 9.928 -13.011 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.208 -12.109 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.772 -13.737 -10.088 1.00 0.00 H new ATOM 741 N ALA A 77 6.259 -13.138 -9.440 1.00 0.00 N ATOM 742 CA ALA A 77 4.791 -12.981 -9.521 1.00 0.00 C ATOM 743 C ALA A 77 4.212 -11.679 -8.920 1.00 0.00 C ATOM 744 O ALA A 77 3.295 -11.098 -9.480 1.00 0.00 O ATOM 745 CB ALA A 77 4.120 -14.199 -8.885 1.00 0.00 C ATOM 0 H ALA A 77 6.550 -13.915 -8.847 1.00 0.00 H new ATOM 0 HA ALA A 77 4.569 -12.906 -10.585 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.037 -14.089 -8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.422 -15.100 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.422 -14.277 -7.841 1.00 0.00 H new ATOM 747 N MET A 78 4.822 -11.201 -7.829 1.00 0.00 N ATOM 748 CA MET A 78 4.383 -9.990 -7.109 1.00 0.00 C ATOM 749 C MET A 78 4.908 -8.639 -7.634 1.00 0.00 C ATOM 750 O MET A 78 4.383 -7.586 -7.268 1.00 0.00 O ATOM 751 CB MET A 78 4.676 -10.099 -5.605 1.00 0.00 C ATOM 752 CG MET A 78 3.872 -11.225 -4.940 1.00 0.00 C ATOM 753 SD MET A 78 3.582 -10.979 -3.151 1.00 0.00 S ATOM 754 CE MET A 78 5.242 -10.959 -2.496 1.00 0.00 C ATOM 0 H MET A 78 5.642 -11.644 -7.414 1.00 0.00 H new ATOM 0 HA MET A 78 3.311 -9.970 -7.304 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.741 -10.278 -5.456 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.441 -9.151 -5.121 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.910 -11.316 -5.444 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.399 -12.168 -5.085 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.304 -11.632 -1.641 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.941 -11.285 -3.266 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.496 -9.947 -2.180 1.00 0.00 H new ATOM 756 N SER A 79 5.882 -8.690 -8.529 1.00 0.00 N ATOM 757 CA SER A 79 6.538 -7.533 -9.184 1.00 0.00 C ATOM 758 C SER A 79 5.604 -6.398 -9.650 1.00 0.00 C ATOM 759 O SER A 79 5.925 -5.225 -9.490 1.00 0.00 O ATOM 760 CB SER A 79 7.344 -8.026 -10.386 1.00 0.00 C ATOM 761 OG SER A 79 6.474 -8.739 -11.286 1.00 0.00 O ATOM 0 H SER A 79 6.268 -9.580 -8.845 1.00 0.00 H new ATOM 0 HA SER A 79 7.164 -7.093 -8.408 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.804 -7.182 -10.900 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.153 -8.676 -10.053 1.00 0.00 H new ATOM 0 HG SER A 79 6.463 -9.689 -11.046 1.00 0.00 H new ATOM 764 N ALA A 80 4.486 -6.781 -10.251 1.00 0.00 N ATOM 765 CA ALA A 80 3.463 -5.854 -10.780 1.00 0.00 C ATOM 766 C ALA A 80 2.439 -5.302 -9.768 1.00 0.00 C ATOM 767 O ALA A 80 1.671 -4.410 -10.120 1.00 0.00 O ATOM 768 CB ALA A 80 2.731 -6.571 -11.918 1.00 0.00 C ATOM 0 H ALA A 80 4.248 -7.763 -10.393 1.00 0.00 H new ATOM 0 HA ALA A 80 4.005 -4.966 -11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.967 -5.912 -12.331 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.444 -6.835 -12.699 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.260 -7.476 -11.535 1.00 0.00 H new ATOM 770 N LEU A 81 2.487 -5.750 -8.513 1.00 0.00 N ATOM 771 CA LEU A 81 1.521 -5.315 -7.480 1.00 0.00 C ATOM 772 C LEU A 81 1.739 -3.882 -6.959 1.00 0.00 C ATOM 773 O LEU A 81 2.657 -3.649 -6.170 1.00 0.00 O ATOM 774 CB LEU A 81 1.386 -6.327 -6.329 1.00 0.00 C ATOM 775 CG LEU A 81 0.870 -7.687 -6.816 1.00 0.00 C ATOM 776 CD1 LEU A 81 0.773 -8.641 -5.625 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.477 -7.595 -7.536 1.00 0.00 C ATOM 0 H LEU A 81 3.183 -6.416 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 81 0.566 -5.286 -8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.355 -6.459 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.706 -5.930 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 81 1.582 -8.065 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.407 -9.610 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.758 -8.763 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.085 -8.231 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.787 -8.590 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.224 -7.182 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.380 -6.948 -8.408 1.00 0.00 H new ATOM 779 N PRO A 82 0.810 -2.963 -7.287 1.00 0.00 N ATOM 780 CA PRO A 82 0.902 -1.540 -6.888 1.00 0.00 C ATOM 781 C PRO A 82 1.133 -1.320 -5.387 1.00 0.00 C ATOM 782 O PRO A 82 0.398 -1.813 -4.539 1.00 0.00 O ATOM 783 CB PRO A 82 -0.398 -0.883 -7.351 1.00 0.00 C ATOM 784 CG PRO A 82 -1.342 -2.039 -7.663 1.00 0.00 C ATOM 785 CD PRO A 82 -0.436 -3.208 -8.038 1.00 0.00 C ATOM 0 HA PRO A 82 1.780 -1.093 -7.355 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.810 -0.236 -6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.233 -0.261 -8.231 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.963 -2.283 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.017 -1.786 -8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.885 -4.162 -7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.253 -3.240 -9.112 1.00 0.00 H new ATOM 786 N VAL A 83 2.123 -0.469 -5.136 1.00 0.00 N ATOM 787 CA VAL A 83 2.548 -0.120 -3.766 1.00 0.00 C ATOM 788 C VAL A 83 2.347 1.361 -3.430 1.00 0.00 C ATOM 789 O VAL A 83 2.962 2.262 -4.016 1.00 0.00 O ATOM 790 CB VAL A 83 3.994 -0.585 -3.501 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.481 -0.242 -2.087 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.133 -2.101 -3.652 1.00 0.00 C ATOM 0 H VAL A 83 2.657 0.001 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 83 1.891 -0.663 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 83 4.595 -0.056 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.505 -0.594 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.448 0.838 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.837 -0.726 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.165 -2.393 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.475 -2.599 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.858 -2.392 -4.666 1.00 0.00 H new ATOM 794 N LEU A 84 1.611 1.543 -2.339 1.00 0.00 N ATOM 795 CA LEU A 84 1.296 2.867 -1.764 1.00 0.00 C ATOM 796 C LEU A 84 2.017 3.004 -0.414 1.00 0.00 C ATOM 797 O LEU A 84 1.781 2.242 0.519 1.00 0.00 O ATOM 798 CB LEU A 84 -0.229 2.993 -1.624 1.00 0.00 C ATOM 799 CG LEU A 84 -0.684 4.368 -1.124 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.335 5.479 -2.115 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.197 4.364 -0.914 1.00 0.00 C ATOM 0 H LEU A 84 1.205 0.769 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 84 1.641 3.674 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.692 2.795 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.587 2.228 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.163 4.562 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.675 6.437 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.745 5.510 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.826 5.283 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.518 5.343 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.695 4.140 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.460 3.606 -0.176 1.00 0.00 H new ATOM 803 N MET A 85 3.038 3.850 -0.446 1.00 0.00 N ATOM 804 CA MET A 85 3.896 4.167 0.721 1.00 0.00 C ATOM 805 C MET A 85 3.293 5.212 1.659 1.00 0.00 C ATOM 806 O MET A 85 3.256 6.411 1.373 1.00 0.00 O ATOM 807 CB MET A 85 5.278 4.586 0.198 1.00 0.00 C ATOM 808 CG MET A 85 6.075 3.448 -0.442 1.00 0.00 C ATOM 809 SD MET A 85 7.063 2.435 0.720 1.00 0.00 S ATOM 810 CE MET A 85 5.969 1.075 1.010 1.00 0.00 C ATOM 0 H MET A 85 3.310 4.351 -1.292 1.00 0.00 H new ATOM 0 HA MET A 85 3.984 3.273 1.339 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.151 5.383 -0.535 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.856 5.001 1.023 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.382 2.793 -0.970 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.746 3.872 -1.190 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.604 1.114 2.036 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.126 1.133 0.322 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.503 0.138 0.851 1.00 0.00 H new ATOM 812 N VAL A 86 2.829 4.740 2.800 1.00 0.00 N ATOM 813 CA VAL A 86 2.227 5.639 3.809 1.00 0.00 C ATOM 814 C VAL A 86 3.326 6.098 4.767 1.00 0.00 C ATOM 815 O VAL A 86 3.725 5.433 5.726 1.00 0.00 O ATOM 816 CB VAL A 86 1.027 5.055 4.569 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.234 6.185 5.224 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.046 4.321 3.640 1.00 0.00 C ATOM 0 H VAL A 86 2.849 3.755 3.065 1.00 0.00 H new ATOM 0 HA VAL A 86 1.803 6.485 3.268 1.00 0.00 H new ATOM 0 HB VAL A 86 1.436 4.356 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.617 5.768 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.876 6.723 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.124 6.871 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.784 3.927 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.336 5.016 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.561 3.499 3.143 1.00 0.00 H new ATOM 820 N THR A 87 3.780 7.295 4.454 1.00 0.00 N ATOM 821 CA THR A 87 4.882 7.988 5.160 1.00 0.00 C ATOM 822 C THR A 87 4.392 9.175 5.994 1.00 0.00 C ATOM 823 O THR A 87 3.516 9.929 5.582 1.00 0.00 O ATOM 824 CB THR A 87 6.038 8.363 4.197 1.00 0.00 C ATOM 825 OG1 THR A 87 6.958 9.262 4.834 1.00 0.00 O ATOM 826 CG2 THR A 87 5.598 8.829 2.801 1.00 0.00 C ATOM 0 H THR A 87 3.394 7.842 3.684 1.00 0.00 H new ATOM 0 HA THR A 87 5.294 7.277 5.876 1.00 0.00 H new ATOM 0 HB THR A 87 6.567 7.433 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.843 10.163 4.466 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.478 9.068 2.203 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.033 8.035 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.971 9.716 2.894 1.00 0.00 H new ATOM 829 N ALA A 88 4.985 9.289 7.187 1.00 0.00 N ATOM 830 CA ALA A 88 4.681 10.361 8.164 1.00 0.00 C ATOM 831 C ALA A 88 4.789 11.779 7.573 1.00 0.00 C ATOM 832 O ALA A 88 3.932 12.628 7.816 1.00 0.00 O ATOM 833 CB ALA A 88 5.622 10.209 9.369 1.00 0.00 C ATOM 0 H ALA A 88 5.698 8.637 7.513 1.00 0.00 H new ATOM 0 HA ALA A 88 3.640 10.246 8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.410 10.992 10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.468 9.233 9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.656 10.294 9.036 1.00 0.00 H new ATOM 835 N GLU A 89 5.828 11.981 6.772 1.00 0.00 N ATOM 836 CA GLU A 89 6.106 13.264 6.091 1.00 0.00 C ATOM 837 C GLU A 89 6.538 13.046 4.643 1.00 0.00 C ATOM 838 O GLU A 89 7.142 12.023 4.292 1.00 0.00 O ATOM 839 CB GLU A 89 7.241 14.011 6.802 1.00 0.00 C ATOM 840 CG GLU A 89 6.804 14.730 8.085 1.00 0.00 C ATOM 841 CD GLU A 89 8.011 15.425 8.721 1.00 0.00 C ATOM 842 OE1 GLU A 89 8.406 16.494 8.201 1.00 0.00 O ATOM 843 OE2 GLU A 89 8.562 14.838 9.679 1.00 0.00 O ATOM 0 H GLU A 89 6.517 11.257 6.567 1.00 0.00 H new ATOM 0 HA GLU A 89 5.183 13.843 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.032 13.302 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.668 14.742 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.028 15.461 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.372 14.015 8.786 1.00 0.00 H new ATOM 845 N ALA A 90 6.235 14.042 3.818 1.00 0.00 N ATOM 846 CA ALA A 90 6.616 14.063 2.393 1.00 0.00 C ATOM 847 C ALA A 90 7.968 14.769 2.239 1.00 0.00 C ATOM 848 O ALA A 90 8.059 15.990 2.082 1.00 0.00 O ATOM 849 CB ALA A 90 5.528 14.736 1.557 1.00 0.00 C ATOM 0 H ALA A 90 5.714 14.868 4.112 1.00 0.00 H new ATOM 0 HA ALA A 90 6.718 13.042 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.826 14.742 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.593 14.185 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.387 15.761 1.900 1.00 0.00 H new ATOM 851 N LYS A 91 8.998 14.004 2.568 1.00 0.00 N ATOM 852 CA LYS A 91 10.406 14.457 2.490 1.00 0.00 C ATOM 853 C LYS A 91 11.004 13.976 1.164 1.00 0.00 C ATOM 854 O LYS A 91 10.853 12.812 0.800 1.00 0.00 O ATOM 855 CB LYS A 91 11.245 13.847 3.617 1.00 0.00 C ATOM 856 CG LYS A 91 10.844 14.309 5.025 1.00 0.00 C ATOM 857 CD LYS A 91 11.664 13.504 6.047 1.00 0.00 C ATOM 858 CE LYS A 91 11.261 13.786 7.500 1.00 0.00 C ATOM 859 NZ LYS A 91 11.735 15.096 7.946 1.00 0.00 N ATOM 0 H LYS A 91 8.895 13.045 2.900 1.00 0.00 H new ATOM 0 HA LYS A 91 10.419 15.544 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.164 12.761 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.293 14.097 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.032 15.376 5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.777 14.154 5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.543 12.440 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.721 13.735 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.176 13.740 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.669 13.011 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.445 15.253 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.772 15.130 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.325 15.837 7.342 1.00 0.00 H new ATOM 864 N LYS A 92 11.730 14.882 0.515 1.00 0.00 N ATOM 865 CA LYS A 92 12.423 14.653 -0.772 1.00 0.00 C ATOM 866 C LYS A 92 13.109 13.268 -0.857 1.00 0.00 C ATOM 867 O LYS A 92 12.750 12.459 -1.709 1.00 0.00 O ATOM 868 CB LYS A 92 13.421 15.805 -0.905 1.00 0.00 C ATOM 869 CG LYS A 92 14.074 15.929 -2.281 1.00 0.00 C ATOM 870 CD LYS A 92 15.023 17.134 -2.289 1.00 0.00 C ATOM 871 CE LYS A 92 15.751 17.277 -3.630 1.00 0.00 C ATOM 872 NZ LYS A 92 16.697 16.165 -3.823 1.00 0.00 N ATOM 0 H LYS A 92 11.863 15.828 0.872 1.00 0.00 H new ATOM 0 HA LYS A 92 11.712 14.638 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 92 12.909 16.739 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.203 15.678 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.624 15.018 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.310 16.049 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.458 18.043 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.754 17.026 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.027 17.292 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.285 18.227 -3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.553 16.516 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.954 15.763 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.253 15.429 -4.409 1.00 0.00 H new ATOM 877 N GLU A 93 13.885 12.928 0.177 1.00 0.00 N ATOM 878 CA GLU A 93 14.590 11.636 0.279 1.00 0.00 C ATOM 879 C GLU A 93 13.645 10.419 0.231 1.00 0.00 C ATOM 880 O GLU A 93 13.794 9.583 -0.653 1.00 0.00 O ATOM 881 CB GLU A 93 15.485 11.587 1.528 1.00 0.00 C ATOM 882 CG GLU A 93 16.842 12.280 1.317 1.00 0.00 C ATOM 883 CD GLU A 93 16.764 13.770 0.967 1.00 0.00 C ATOM 884 OE1 GLU A 93 15.934 14.469 1.600 1.00 0.00 O ATOM 885 OE2 GLU A 93 17.479 14.176 0.031 1.00 0.00 O ATOM 0 H GLU A 93 14.046 13.543 0.975 1.00 0.00 H new ATOM 0 HA GLU A 93 15.222 11.568 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.965 12.062 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.653 10.547 1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.435 12.166 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 93 17.376 11.763 0.520 1.00 0.00 H new ATOM 887 N ASN A 94 12.612 10.445 1.077 1.00 0.00 N ATOM 888 CA ASN A 94 11.580 9.383 1.134 1.00 0.00 C ATOM 889 C ASN A 94 10.903 9.187 -0.234 1.00 0.00 C ATOM 890 O ASN A 94 10.878 8.071 -0.746 1.00 0.00 O ATOM 891 CB ASN A 94 10.493 9.699 2.171 1.00 0.00 C ATOM 892 CG ASN A 94 10.985 9.661 3.617 1.00 0.00 C ATOM 893 OD1 ASN A 94 11.984 10.264 3.986 1.00 0.00 O ATOM 894 ND2 ASN A 94 10.204 9.045 4.485 1.00 0.00 N ATOM 0 H ASN A 94 12.459 11.200 1.746 1.00 0.00 H new ATOM 0 HA ASN A 94 12.099 8.469 1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.083 10.687 1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.677 8.985 2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.430 9.067 5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.375 8.547 4.161 1.00 0.00 H new ATOM 898 N ILE A 95 10.549 10.303 -0.860 1.00 0.00 N ATOM 899 CA ILE A 95 9.902 10.354 -2.182 1.00 0.00 C ATOM 900 C ILE A 95 10.762 9.632 -3.245 1.00 0.00 C ATOM 901 O ILE A 95 10.329 8.619 -3.805 1.00 0.00 O ATOM 902 CB ILE A 95 9.621 11.844 -2.514 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.564 12.403 -1.545 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.232 12.090 -3.984 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.487 13.935 -1.501 1.00 0.00 C ATOM 0 H ILE A 95 10.705 11.227 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 95 8.952 9.819 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 95 10.558 12.384 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.587 12.011 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.778 12.034 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.051 13.154 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.042 11.761 -4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.327 11.530 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.717 14.240 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.449 14.339 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.240 14.316 -2.492 1.00 0.00 H new ATOM 907 N ILE A 96 12.021 10.060 -3.360 1.00 0.00 N ATOM 908 CA ILE A 96 13.004 9.497 -4.315 1.00 0.00 C ATOM 909 C ILE A 96 13.216 7.988 -4.054 1.00 0.00 C ATOM 910 O ILE A 96 12.891 7.190 -4.927 1.00 0.00 O ATOM 911 CB ILE A 96 14.315 10.315 -4.277 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.024 11.792 -4.594 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.325 9.779 -5.298 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.122 12.758 -4.121 1.00 0.00 C ATOM 0 H ILE A 96 12.400 10.816 -2.790 1.00 0.00 H new ATOM 0 HA ILE A 96 12.614 9.578 -5.330 1.00 0.00 H new ATOM 0 HB ILE A 96 14.737 10.224 -3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.894 11.904 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.080 12.074 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.239 10.371 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.555 8.738 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.900 9.846 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 96 14.844 13.780 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.237 12.677 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.064 12.504 -4.606 1.00 0.00 H new ATOM 916 N ALA A 97 13.489 7.645 -2.794 1.00 0.00 N ATOM 917 CA ALA A 97 13.713 6.247 -2.348 1.00 0.00 C ATOM 918 C ALA A 97 12.529 5.329 -2.718 1.00 0.00 C ATOM 919 O ALA A 97 12.708 4.332 -3.425 1.00 0.00 O ATOM 920 CB ALA A 97 13.954 6.237 -0.835 1.00 0.00 C ATOM 0 H ALA A 97 13.564 8.327 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 97 14.590 5.855 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.119 5.213 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.831 6.841 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.083 6.650 -0.325 1.00 0.00 H new ATOM 922 N ALA A 98 11.324 5.797 -2.399 1.00 0.00 N ATOM 923 CA ALA A 98 10.072 5.083 -2.689 1.00 0.00 C ATOM 924 C ALA A 98 9.882 4.813 -4.194 1.00 0.00 C ATOM 925 O ALA A 98 9.788 3.657 -4.599 1.00 0.00 O ATOM 926 CB ALA A 98 8.910 5.882 -2.087 1.00 0.00 C ATOM 0 H ALA A 98 11.183 6.690 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 98 10.107 4.095 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.971 5.368 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.048 5.970 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.884 6.877 -2.532 1.00 0.00 H new ATOM 928 N ALA A 99 10.065 5.863 -4.992 1.00 0.00 N ATOM 929 CA ALA A 99 9.945 5.791 -6.470 1.00 0.00 C ATOM 930 C ALA A 99 10.982 4.839 -7.095 1.00 0.00 C ATOM 931 O ALA A 99 10.609 3.885 -7.762 1.00 0.00 O ATOM 932 CB ALA A 99 10.075 7.207 -7.054 1.00 0.00 C ATOM 0 H ALA A 99 10.301 6.793 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 99 8.965 5.380 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.988 7.162 -8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.284 7.840 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.045 7.624 -6.785 1.00 0.00 H new ATOM 934 N GLN A 100 12.233 4.984 -6.650 1.00 0.00 N ATOM 935 CA GLN A 100 13.379 4.166 -7.116 1.00 0.00 C ATOM 936 C GLN A 100 13.205 2.664 -6.855 1.00 0.00 C ATOM 937 O GLN A 100 13.629 1.838 -7.658 1.00 0.00 O ATOM 938 CB GLN A 100 14.676 4.620 -6.424 1.00 0.00 C ATOM 939 CG GLN A 100 15.135 6.005 -6.859 1.00 0.00 C ATOM 940 CD GLN A 100 16.336 6.452 -6.019 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.247 6.761 -4.839 1.00 0.00 O ATOM 942 NE2 GLN A 100 17.495 6.516 -6.634 1.00 0.00 N ATOM 0 H GLN A 100 12.492 5.678 -5.948 1.00 0.00 H new ATOM 0 HA GLN A 100 13.429 4.319 -8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.524 4.617 -5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.465 3.899 -6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.405 5.992 -7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.318 6.718 -6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.565 6.257 -7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.325 6.824 -6.127 1.00 0.00 H new ATOM 946 N ALA A 101 12.632 2.344 -5.687 1.00 0.00 N ATOM 947 CA ALA A 101 12.383 0.962 -5.249 1.00 0.00 C ATOM 948 C ALA A 101 11.111 0.280 -5.802 1.00 0.00 C ATOM 949 O ALA A 101 10.853 -0.875 -5.460 1.00 0.00 O ATOM 950 CB ALA A 101 12.406 0.948 -3.718 1.00 0.00 C ATOM 0 H ALA A 101 12.325 3.044 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 101 13.179 0.353 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.224 -0.066 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.380 1.288 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.630 1.612 -3.336 1.00 0.00 H new ATOM 952 N GLY A 102 10.326 0.991 -6.621 1.00 0.00 N ATOM 953 CA GLY A 102 9.100 0.450 -7.244 1.00 0.00 C ATOM 954 C GLY A 102 7.747 1.012 -6.755 1.00 0.00 C ATOM 955 O GLY A 102 6.714 0.621 -7.304 1.00 0.00 O ATOM 0 H GLY A 102 10.519 1.960 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.166 0.618 -8.319 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.092 -0.629 -7.090 1.00 0.00 H new ATOM 957 N ALA A 103 7.738 1.936 -5.794 1.00 0.00 N ATOM 958 CA ALA A 103 6.475 2.501 -5.261 1.00 0.00 C ATOM 959 C ALA A 103 5.645 3.270 -6.289 1.00 0.00 C ATOM 960 O ALA A 103 6.021 4.331 -6.801 1.00 0.00 O ATOM 961 CB ALA A 103 6.703 3.379 -4.033 1.00 0.00 C ATOM 0 H ALA A 103 8.581 2.315 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 103 5.897 1.622 -4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.747 3.768 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.166 2.787 -3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.358 4.209 -4.296 1.00 0.00 H new ATOM 963 N SER A 104 4.431 2.760 -6.425 1.00 0.00 N ATOM 964 CA SER A 104 3.387 3.296 -7.331 1.00 0.00 C ATOM 965 C SER A 104 2.906 4.698 -6.932 1.00 0.00 C ATOM 966 O SER A 104 2.414 5.453 -7.769 1.00 0.00 O ATOM 967 CB SER A 104 2.184 2.348 -7.332 1.00 0.00 C ATOM 968 OG SER A 104 2.638 1.017 -7.607 1.00 0.00 O ATOM 0 H SER A 104 4.121 1.941 -5.902 1.00 0.00 H new ATOM 0 HA SER A 104 3.836 3.372 -8.321 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.678 2.381 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.459 2.661 -8.083 1.00 0.00 H new ATOM 0 HG SER A 104 2.218 0.692 -8.431 1.00 0.00 H new ATOM 971 N GLY A 105 2.959 4.970 -5.628 1.00 0.00 N ATOM 972 CA GLY A 105 2.571 6.248 -5.009 1.00 0.00 C ATOM 973 C GLY A 105 2.908 6.262 -3.510 1.00 0.00 C ATOM 974 O GLY A 105 3.381 5.272 -2.945 1.00 0.00 O ATOM 0 H GLY A 105 3.284 4.286 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.086 7.069 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.502 6.412 -5.146 1.00 0.00 H new ATOM 976 N TYR A 106 2.635 7.411 -2.905 1.00 0.00 N ATOM 977 CA TYR A 106 2.870 7.640 -1.468 1.00 0.00 C ATOM 978 C TYR A 106 1.823 8.598 -0.880 1.00 0.00 C ATOM 979 O TYR A 106 1.566 9.657 -1.445 1.00 0.00 O ATOM 980 CB TYR A 106 4.302 8.112 -1.164 1.00 0.00 C ATOM 981 CG TYR A 106 4.663 9.497 -1.721 1.00 0.00 C ATOM 982 CD1 TYR A 106 5.138 9.590 -3.049 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.454 10.638 -0.916 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.381 10.867 -3.596 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.703 11.917 -1.470 1.00 0.00 C ATOM 986 CZ TYR A 106 5.165 12.005 -2.798 1.00 0.00 C ATOM 987 OH TYR A 106 5.351 13.230 -3.343 1.00 0.00 O ATOM 0 H TYR A 106 2.243 8.218 -3.390 1.00 0.00 H new ATOM 0 HA TYR A 106 2.758 6.674 -0.976 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.442 8.124 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 106 5.002 7.381 -1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.312 8.699 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.111 10.537 0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.728 10.970 -4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.541 12.810 -0.884 1.00 0.00 H new ATOM 0 HH TYR A 106 5.163 13.919 -2.672 1.00 0.00 H new ATOM 990 N VAL A 107 1.249 8.201 0.249 1.00 0.00 N ATOM 991 CA VAL A 107 0.233 9.035 0.901 1.00 0.00 C ATOM 992 C VAL A 107 0.679 9.406 2.327 1.00 0.00 C ATOM 993 O VAL A 107 1.217 8.588 3.062 1.00 0.00 O ATOM 994 CB VAL A 107 -1.176 8.421 0.774 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.467 7.278 1.752 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.228 9.512 0.903 1.00 0.00 C ATOM 0 H VAL A 107 1.460 7.326 0.729 1.00 0.00 H new ATOM 0 HA VAL A 107 0.143 9.987 0.377 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.215 7.967 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.480 6.909 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.755 6.469 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.373 7.642 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.221 9.072 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.133 9.996 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.085 10.251 0.114 1.00 0.00 H new ATOM 998 N VAL A 108 0.706 10.719 2.533 1.00 0.00 N ATOM 999 CA VAL A 108 1.098 11.298 3.828 1.00 0.00 C ATOM 1000 C VAL A 108 -0.029 11.172 4.864 1.00 0.00 C ATOM 1001 O VAL A 108 -1.178 11.544 4.616 1.00 0.00 O ATOM 1002 CB VAL A 108 1.593 12.752 3.645 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.976 13.435 4.963 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.813 12.769 2.722 1.00 0.00 C ATOM 0 H VAL A 108 0.462 11.409 1.823 1.00 0.00 H new ATOM 0 HA VAL A 108 1.936 10.726 4.227 1.00 0.00 H new ATOM 0 HB VAL A 108 0.759 13.306 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.314 14.451 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.109 13.465 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.778 12.875 5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.159 13.795 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.610 12.169 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.540 12.355 1.751 1.00 0.00 H new ATOM 1006 N LYS A 109 0.362 10.631 6.008 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.552 10.418 7.137 1.00 0.00 C ATOM 1008 C LYS A 109 -0.555 11.593 8.135 1.00 0.00 C ATOM 1009 O LYS A 109 0.533 12.098 8.446 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.302 9.052 7.802 1.00 0.00 C ATOM 1011 CG LYS A 109 1.136 8.776 8.242 1.00 0.00 C ATOM 1012 CD LYS A 109 1.190 7.412 8.918 1.00 0.00 C ATOM 1013 CE LYS A 109 2.622 6.988 9.237 1.00 0.00 C ATOM 1014 NZ LYS A 109 2.556 5.723 9.984 1.00 0.00 N ATOM 0 H LYS A 109 1.319 10.325 6.187 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.565 10.392 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.950 8.970 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.605 8.270 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.805 8.797 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.476 9.551 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.607 7.440 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.727 6.668 8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.197 6.861 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.126 7.754 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.949 5.862 10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.565 5.416 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.107 4.996 9.485 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.729 11.997 8.635 1.00 0.00 N ATOM 1020 CA PRO A 110 -3.052 11.416 8.345 1.00 0.00 C ATOM 1021 C PRO A 110 -3.675 11.806 6.992 1.00 0.00 C ATOM 1022 O PRO A 110 -3.800 12.979 6.629 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.933 11.848 9.514 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.346 13.198 9.925 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.840 13.038 9.687 1.00 0.00 C ATOM 0 HA PRO A 110 -2.954 10.335 8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.978 11.939 9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.895 11.128 10.332 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.760 14.011 9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.563 13.426 10.969 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.389 13.976 9.364 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.326 12.735 10.599 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.173 10.764 6.334 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.845 10.861 5.030 1.00 0.00 C ATOM 1028 C PHE A 111 -6.304 10.405 5.199 1.00 0.00 C ATOM 1029 O PHE A 111 -6.589 9.487 5.968 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.106 10.041 3.963 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.117 8.522 4.178 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.201 7.927 5.071 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -5.116 7.754 3.534 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.321 6.542 5.363 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -5.222 6.373 3.811 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.331 5.782 4.739 1.00 0.00 C ATOM 0 H PHE A 111 -4.123 9.810 6.692 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.833 11.894 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.550 10.257 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.070 10.378 3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.419 8.517 5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.794 8.221 2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.642 6.074 6.060 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.975 5.774 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.427 4.732 4.973 1.00 0.00 H new ATOM 1038 N THR A 112 -7.185 11.007 4.412 1.00 0.00 N ATOM 1039 CA THR A 112 -8.641 10.706 4.461 1.00 0.00 C ATOM 1040 C THR A 112 -9.070 9.862 3.249 1.00 0.00 C ATOM 1041 O THR A 112 -8.273 9.617 2.353 1.00 0.00 O ATOM 1042 CB THR A 112 -9.468 12.002 4.470 1.00 0.00 C ATOM 1043 OG1 THR A 112 -9.283 12.697 3.228 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.176 12.891 5.677 1.00 0.00 C ATOM 0 H THR A 112 -6.931 11.714 3.722 1.00 0.00 H new ATOM 0 HA THR A 112 -8.823 10.147 5.379 1.00 0.00 H new ATOM 0 HB THR A 112 -10.518 11.729 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.327 12.743 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.791 13.789 5.625 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.405 12.347 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.123 13.172 5.676 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.358 9.511 3.217 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.964 8.736 2.112 1.00 0.00 C ATOM 1049 C ALA A 113 -10.713 9.395 0.739 1.00 0.00 C ATOM 1050 O ALA A 113 -10.176 8.755 -0.156 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.465 8.556 2.352 1.00 0.00 C ATOM 0 H ALA A 113 -11.019 9.753 3.955 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.484 7.757 2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.899 7.984 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.622 8.022 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.945 9.533 2.406 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.865 10.724 0.693 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.639 11.532 -0.518 1.00 0.00 C ATOM 1055 C ALA A 114 -9.168 11.486 -0.967 1.00 0.00 C ATOM 1056 O ALA A 114 -8.888 11.111 -2.112 1.00 0.00 O ATOM 1057 CB ALA A 114 -11.088 12.970 -0.276 1.00 0.00 C ATOM 0 H ALA A 114 -11.151 11.277 1.501 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.235 11.105 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.918 13.561 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.150 12.983 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.518 13.395 0.550 1.00 0.00 H new ATOM 1059 N THR A 115 -8.249 11.718 -0.022 1.00 0.00 N ATOM 1060 CA THR A 115 -6.794 11.677 -0.273 1.00 0.00 C ATOM 1061 C THR A 115 -6.363 10.283 -0.758 1.00 0.00 C ATOM 1062 O THR A 115 -5.692 10.156 -1.782 1.00 0.00 O ATOM 1063 CB THR A 115 -5.998 12.019 0.998 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.668 13.040 1.752 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.604 12.527 0.641 1.00 0.00 C ATOM 0 H THR A 115 -8.489 11.941 0.944 1.00 0.00 H new ATOM 0 HA THR A 115 -6.582 12.419 -1.043 1.00 0.00 H new ATOM 0 HB THR A 115 -5.919 11.108 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.150 13.245 2.558 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.058 12.763 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.067 11.758 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.690 13.424 0.027 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.854 9.253 -0.064 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.601 7.834 -0.388 1.00 0.00 C ATOM 1070 C LEU A 116 -7.042 7.549 -1.839 1.00 0.00 C ATOM 1071 O LEU A 116 -6.198 7.218 -2.674 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.340 6.943 0.621 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.151 5.432 0.407 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.688 4.985 0.494 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.973 4.705 1.470 1.00 0.00 C ATOM 0 H LEU A 116 -7.450 9.377 0.755 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.536 7.612 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.002 7.198 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.405 7.172 0.575 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.484 5.189 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.626 3.909 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.104 5.500 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.291 5.228 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.859 3.628 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.623 4.994 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.024 4.974 1.364 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.280 7.939 -2.154 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.874 7.763 -3.493 1.00 0.00 C ATOM 1079 C GLU A 117 -8.045 8.470 -4.583 1.00 0.00 C ATOM 1080 O GLU A 117 -7.694 7.842 -5.567 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.299 8.312 -3.528 1.00 0.00 C ATOM 1082 CG GLU A 117 -11.036 7.791 -4.768 1.00 0.00 C ATOM 1083 CD GLU A 117 -12.178 8.734 -5.164 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -13.182 8.744 -4.423 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -11.977 9.470 -6.153 1.00 0.00 O ATOM 0 H GLU A 117 -8.907 8.389 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.883 6.692 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.834 8.014 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.277 9.402 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.336 7.693 -5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.434 6.796 -4.568 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.681 9.729 -4.327 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.862 10.548 -5.253 1.00 0.00 C ATOM 1089 C GLU A 118 -5.597 9.775 -5.691 1.00 0.00 C ATOM 1090 O GLU A 118 -5.357 9.607 -6.883 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.523 11.876 -4.548 1.00 0.00 C ATOM 1092 CG GLU A 118 -5.782 12.904 -5.414 1.00 0.00 C ATOM 1093 CD GLU A 118 -4.266 12.637 -5.519 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -3.624 12.559 -4.450 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -3.787 12.559 -6.669 1.00 0.00 O ATOM 0 H GLU A 118 -7.942 10.220 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.417 10.766 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -7.449 12.326 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.915 11.658 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.214 12.904 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -5.940 13.899 -4.999 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.946 9.162 -4.703 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.737 8.338 -4.927 1.00 0.00 C ATOM 1099 C LYS A 119 -4.026 7.036 -5.689 1.00 0.00 C ATOM 1100 O LYS A 119 -3.403 6.794 -6.723 1.00 0.00 O ATOM 1101 CB LYS A 119 -3.029 8.064 -3.585 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.353 9.318 -3.005 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.289 9.939 -3.925 1.00 0.00 C ATOM 1104 CE LYS A 119 -0.100 9.009 -4.187 1.00 0.00 C ATOM 1105 NZ LYS A 119 0.573 9.404 -5.434 1.00 0.00 N ATOM 0 H LYS A 119 -5.232 9.216 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.069 8.911 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.755 7.682 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.280 7.285 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.118 10.066 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.889 9.060 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.751 10.204 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -0.926 10.864 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.601 9.056 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.442 7.977 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.595 9.233 -5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.195 8.845 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.406 10.415 -5.614 1.00 0.00 H new ATOM 1110 N LEU A 120 -5.071 6.319 -5.275 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.513 5.063 -5.929 1.00 0.00 C ATOM 1112 C LEU A 120 -5.794 5.284 -7.431 1.00 0.00 C ATOM 1113 O LEU A 120 -5.220 4.606 -8.288 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.791 4.508 -5.278 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.649 4.215 -3.774 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -8.029 3.973 -3.168 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.729 3.035 -3.476 1.00 0.00 C ATOM 0 H LEU A 120 -5.644 6.585 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.700 4.348 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.601 5.223 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.079 3.591 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.185 5.090 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.927 3.766 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.648 4.859 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.498 3.121 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.672 2.881 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.124 2.137 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.733 3.243 -3.866 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.562 6.340 -7.706 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.945 6.797 -9.066 1.00 0.00 C ATOM 1121 C ASN A 121 -5.719 7.042 -9.957 1.00 0.00 C ATOM 1122 O ASN A 121 -5.607 6.491 -11.048 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.730 8.104 -8.943 1.00 0.00 C ATOM 1124 CG ASN A 121 -9.141 7.987 -8.358 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.514 7.043 -7.667 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.940 9.004 -8.576 1.00 0.00 N ATOM 0 H ASN A 121 -6.954 6.928 -6.971 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.547 6.014 -9.527 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -7.157 8.792 -8.322 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.805 8.554 -9.933 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.876 9.013 -8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.625 9.786 -9.151 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.809 7.847 -9.416 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.528 8.211 -10.050 1.00 0.00 C ATOM 1132 C LYS A 122 -2.742 6.963 -10.480 1.00 0.00 C ATOM 1133 O LYS A 122 -2.419 6.816 -11.657 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.738 9.039 -9.037 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.593 9.812 -9.694 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.888 10.643 -8.633 1.00 0.00 C ATOM 1137 CE LYS A 122 -0.021 11.720 -9.266 1.00 0.00 C ATOM 1138 NZ LYS A 122 0.571 12.531 -8.192 1.00 0.00 N ATOM 0 H LYS A 122 -4.937 8.280 -8.501 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.707 8.788 -10.957 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.409 9.739 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.336 8.381 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.890 9.121 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.978 10.457 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.627 11.105 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.271 9.995 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.762 11.267 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.618 12.346 -9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.168 13.274 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.187 12.969 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.150 11.924 -7.578 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.655 5.998 -9.568 1.00 0.00 N ATOM 1144 CA ILE A 123 -1.956 4.719 -9.778 1.00 0.00 C ATOM 1145 C ILE A 123 -2.563 3.928 -10.960 1.00 0.00 C ATOM 1146 O ILE A 123 -1.836 3.549 -11.879 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.938 3.966 -8.432 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -0.997 4.750 -7.485 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.467 2.510 -8.559 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.179 4.476 -5.987 1.00 0.00 C ATOM 0 H ILE A 123 -3.075 6.078 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.921 4.878 -10.081 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.956 3.914 -8.045 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.034 4.519 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.142 5.816 -7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.478 2.037 -7.577 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.135 1.969 -9.229 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.454 2.489 -8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.470 5.077 -5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.195 4.736 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.002 3.419 -5.786 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.898 3.827 -10.991 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.618 3.138 -12.080 1.00 0.00 C ATOM 1154 C PHE A 124 -4.364 3.809 -13.447 1.00 0.00 C ATOM 1155 O PHE A 124 -3.973 3.133 -14.406 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.124 3.055 -11.802 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.502 2.291 -10.525 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.719 1.195 -10.091 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.487 2.858 -9.683 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.871 0.697 -8.774 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.653 2.356 -8.366 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.827 1.308 -7.920 1.00 0.00 C ATOM 0 H PHE A 124 -4.508 4.215 -10.272 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.223 2.123 -12.120 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.523 4.067 -11.735 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.610 2.577 -12.652 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.007 0.739 -10.763 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.108 3.667 -10.040 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.272 -0.131 -8.426 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.405 2.774 -7.713 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.922 0.959 -6.902 1.00 0.00 H new