USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 863 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 18 THR OG1 : rot 130:sc= 1.28 USER MOD Set 1.2: A 38 HIS : no HD1:sc= -0.188 K(o=1.1,f=-6.9!) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0765 (180deg=-0.451) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.18 (180deg=0.89) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.0067) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.23) USER MOD Single : A 29 ASN : amide:sc= -0.111 K(o=-0.11,f=0.59) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc=-0.00213 (180deg=-0.0994) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -104:sc= 1.34 USER MOD Single : A 37 MET CE :methyl 138:sc= -0.258 (180deg=-1.37) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -29:sc= 0.508 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 0.626 (180deg=0.215) USER MOD Single : A 60 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.13) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -106:sc= 2.11 USER MOD Single : A 66 SER OG : rot 180:sc= 0.051 USER MOD Single : A 73 LYS NZ :NH3+ 171:sc=-0.00129 (180deg=-0.0772) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -1.05 K(o=-1,f=-0.12) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 80 GLN : amide:sc= 0.94 K(o=0.94,f=-0.26) USER MOD Single : A 82 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.44) USER MOD Single : A 83 ASN : amide:sc= -0.49 K(o=-0.49,f=-2.7!) USER MOD Single : A 92 SER OG : rot -170:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= -0.131 (180deg=-0.515) USER MOD Single : A 103 HIS : no HE2:sc= 0.125! C(o=0.13!,f=-4.2!) USER MOD Single : A 104 HIS : no HD1:sc= -0.472 K(o=-0.47,f=-1) USER MOD Single : A 105 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.11) USER MOD Single : A 107 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.482 -1.885 -3.204 1.00 0.00 N ATOM 2 CA MET A 1 -12.923 -3.228 -2.933 1.00 0.00 C ATOM 3 C MET A 1 -11.928 -3.611 -4.013 1.00 0.00 C ATOM 4 O MET A 1 -12.233 -3.561 -5.205 1.00 0.00 O ATOM 5 CB MET A 1 -14.042 -4.270 -2.860 1.00 0.00 C ATOM 6 CG MET A 1 -13.544 -5.685 -2.590 1.00 0.00 C ATOM 7 SD MET A 1 -14.868 -6.905 -2.517 1.00 0.00 S ATOM 8 CE MET A 1 -15.772 -6.354 -1.073 1.00 0.00 C ATOM 0 H1 MET A 1 -13.773 -1.443 -2.309 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.759 -1.294 -3.663 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.307 -1.972 -3.831 1.00 0.00 H new ATOM 0 HA MET A 1 -12.409 -3.199 -1.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.742 -3.984 -2.075 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.596 -4.262 -3.799 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.839 -5.970 -3.371 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.997 -5.696 -1.648 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.422 -7.156 -0.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.069 -6.086 -0.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.376 -5.484 -1.332 1.00 0.00 H new ATOM 20 N LEU A 2 -10.747 -4.009 -3.582 1.00 0.00 N ATOM 21 CA LEU A 2 -9.660 -4.325 -4.485 1.00 0.00 C ATOM 22 C LEU A 2 -9.709 -5.794 -4.875 1.00 0.00 C ATOM 23 O LEU A 2 -9.362 -6.677 -4.091 1.00 0.00 O ATOM 24 CB LEU A 2 -8.317 -3.990 -3.827 1.00 0.00 C ATOM 25 CG LEU A 2 -7.085 -4.190 -4.712 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.147 -3.292 -5.941 1.00 0.00 C ATOM 27 CD2 LEU A 2 -5.818 -3.918 -3.918 1.00 0.00 C ATOM 0 H LEU A 2 -10.515 -4.122 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.766 -3.725 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.342 -2.951 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.206 -4.605 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.071 -5.226 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.260 -3.453 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.038 -3.531 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.187 -2.249 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.949 -4.064 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.831 -2.891 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.764 -4.604 -3.072 1.00 0.00 H new ATOM 39 N VAL A 3 -10.184 -6.049 -6.073 1.00 0.00 N ATOM 40 CA VAL A 3 -10.224 -7.402 -6.609 1.00 0.00 C ATOM 41 C VAL A 3 -8.875 -7.770 -7.219 1.00 0.00 C ATOM 42 O VAL A 3 -8.477 -7.220 -8.251 1.00 0.00 O ATOM 43 CB VAL A 3 -11.336 -7.564 -7.672 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.314 -8.960 -8.276 1.00 0.00 C ATOM 45 CG2 VAL A 3 -12.698 -7.266 -7.063 1.00 0.00 C ATOM 0 H VAL A 3 -10.552 -5.336 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.446 -8.074 -5.780 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.148 -6.848 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.106 -9.047 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.349 -9.136 -8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.472 -9.699 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.470 -7.384 -7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.888 -7.957 -6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.713 -6.243 -6.687 1.00 0.00 H new ATOM 55 N ILE A 4 -8.174 -8.687 -6.566 1.00 0.00 N ATOM 56 CA ILE A 4 -6.879 -9.139 -7.050 1.00 0.00 C ATOM 57 C ILE A 4 -7.059 -10.411 -7.860 1.00 0.00 C ATOM 58 O ILE A 4 -6.834 -10.434 -9.068 1.00 0.00 O ATOM 59 CB ILE A 4 -5.893 -9.407 -5.888 1.00 0.00 C ATOM 60 CG1 ILE A 4 -5.694 -8.136 -5.055 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.559 -9.915 -6.422 1.00 0.00 C ATOM 62 CD1 ILE A 4 -4.791 -8.331 -3.857 1.00 0.00 C ATOM 0 H ILE A 4 -8.481 -9.131 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.459 -8.348 -7.672 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.317 -10.178 -5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.275 -7.356 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.666 -7.780 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.880 -10.097 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.717 -10.843 -6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.125 -9.168 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.697 -7.390 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.218 -9.087 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.806 -8.657 -4.193 1.00 0.00 H new ATOM 74 N SER A 5 -7.491 -11.456 -7.187 1.00 0.00 N ATOM 75 CA SER A 5 -7.795 -12.707 -7.843 1.00 0.00 C ATOM 76 C SER A 5 -9.306 -12.892 -7.871 1.00 0.00 C ATOM 77 O SER A 5 -10.039 -12.121 -7.247 1.00 0.00 O ATOM 78 CB SER A 5 -7.126 -13.865 -7.101 1.00 0.00 C ATOM 79 OG SER A 5 -5.744 -13.612 -6.893 1.00 0.00 O ATOM 0 H SER A 5 -7.640 -11.462 -6.178 1.00 0.00 H new ATOM 0 HA SER A 5 -7.413 -12.693 -8.864 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.619 -14.018 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.248 -14.785 -7.672 1.00 0.00 H new ATOM 0 HG SER A 5 -5.341 -14.367 -6.415 1.00 0.00 H new ATOM 85 N ASN A 6 -9.773 -13.903 -8.583 1.00 0.00 N ATOM 86 CA ASN A 6 -11.200 -14.198 -8.643 1.00 0.00 C ATOM 87 C ASN A 6 -11.714 -14.620 -7.271 1.00 0.00 C ATOM 88 O ASN A 6 -12.805 -14.234 -6.852 1.00 0.00 O ATOM 89 CB ASN A 6 -11.471 -15.301 -9.671 1.00 0.00 C ATOM 90 CG ASN A 6 -12.933 -15.706 -9.730 1.00 0.00 C ATOM 91 OD1 ASN A 6 -13.829 -14.890 -9.505 1.00 0.00 O ATOM 92 ND2 ASN A 6 -13.182 -16.970 -10.030 1.00 0.00 N ATOM 0 H ASN A 6 -9.187 -14.535 -9.129 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.728 -13.295 -8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.154 -14.959 -10.656 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.867 -16.175 -9.427 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.145 -17.302 -10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.411 -17.613 -10.209 1.00 0.00 H new ATOM 99 N ASN A 7 -10.905 -15.391 -6.560 1.00 0.00 N ATOM 100 CA ASN A 7 -11.312 -15.933 -5.272 1.00 0.00 C ATOM 101 C ASN A 7 -10.796 -15.088 -4.116 1.00 0.00 C ATOM 102 O ASN A 7 -11.001 -15.429 -2.953 1.00 0.00 O ATOM 103 CB ASN A 7 -10.799 -17.363 -5.110 1.00 0.00 C ATOM 104 CG ASN A 7 -11.234 -18.285 -6.237 1.00 0.00 C ATOM 105 OD1 ASN A 7 -10.521 -18.450 -7.227 1.00 0.00 O ATOM 106 ND2 ASN A 7 -12.402 -18.892 -6.095 1.00 0.00 N ATOM 0 H ASN A 7 -9.964 -15.655 -6.852 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.402 -15.923 -5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.710 -17.348 -5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.156 -17.765 -4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.740 -19.523 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.963 -18.729 -5.259 1.00 0.00 H new ATOM 113 N VAL A 8 -10.137 -13.983 -4.436 1.00 0.00 N ATOM 114 CA VAL A 8 -9.526 -13.140 -3.414 1.00 0.00 C ATOM 115 C VAL A 8 -9.886 -11.679 -3.641 1.00 0.00 C ATOM 116 O VAL A 8 -9.550 -11.096 -4.672 1.00 0.00 O ATOM 117 CB VAL A 8 -7.986 -13.281 -3.405 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.366 -12.412 -2.319 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.570 -14.732 -3.219 1.00 0.00 C ATOM 0 H VAL A 8 -10.011 -13.649 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.914 -13.472 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.618 -12.940 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.282 -12.529 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.621 -11.368 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.751 -12.716 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.482 -14.801 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.959 -15.103 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.970 -15.333 -4.036 1.00 0.00 H new ATOM 129 N HIS A 9 -10.556 -11.090 -2.669 1.00 0.00 N ATOM 130 CA HIS A 9 -10.951 -9.690 -2.746 1.00 0.00 C ATOM 131 C HIS A 9 -10.484 -8.956 -1.496 1.00 0.00 C ATOM 132 O HIS A 9 -10.464 -9.531 -0.411 1.00 0.00 O ATOM 133 CB HIS A 9 -12.475 -9.562 -2.872 1.00 0.00 C ATOM 134 CG HIS A 9 -13.082 -10.408 -3.954 1.00 0.00 C ATOM 135 ND1 HIS A 9 -14.082 -11.321 -3.712 1.00 0.00 N ATOM 136 CD2 HIS A 9 -12.831 -10.476 -5.282 1.00 0.00 C ATOM 137 CE1 HIS A 9 -14.420 -11.914 -4.838 1.00 0.00 C ATOM 138 NE2 HIS A 9 -13.678 -11.418 -5.807 1.00 0.00 N ATOM 0 H HIS A 9 -10.841 -11.560 -1.810 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.488 -9.249 -3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.930 -9.832 -1.919 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.725 -8.518 -3.061 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.100 -9.897 -5.827 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.176 -12.677 -4.948 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.726 -11.691 -6.789 1.00 0.00 H new ATOM 147 N LEU A 10 -10.082 -7.704 -1.650 1.00 0.00 N ATOM 148 CA LEU A 10 -9.694 -6.887 -0.511 1.00 0.00 C ATOM 149 C LEU A 10 -10.734 -5.808 -0.241 1.00 0.00 C ATOM 150 O LEU A 10 -10.839 -4.834 -0.987 1.00 0.00 O ATOM 151 CB LEU A 10 -8.327 -6.244 -0.744 1.00 0.00 C ATOM 152 CG LEU A 10 -7.140 -7.207 -0.731 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.841 -6.446 -0.957 1.00 0.00 C ATOM 154 CD2 LEU A 10 -7.091 -7.966 0.589 1.00 0.00 C ATOM 0 H LEU A 10 -10.016 -7.232 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.630 -7.539 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.345 -5.729 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.166 -5.485 0.021 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.264 -7.927 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.004 -7.144 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.879 -5.940 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.709 -5.708 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.241 -8.648 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.985 -7.259 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.012 -8.535 0.716 1.00 0.00 H new ATOM 166 N PRO A 11 -11.540 -5.990 0.808 1.00 0.00 N ATOM 167 CA PRO A 11 -12.530 -4.999 1.224 1.00 0.00 C ATOM 168 C PRO A 11 -11.875 -3.672 1.593 1.00 0.00 C ATOM 169 O PRO A 11 -10.763 -3.643 2.122 1.00 0.00 O ATOM 170 CB PRO A 11 -13.189 -5.630 2.454 1.00 0.00 C ATOM 171 CG PRO A 11 -12.900 -7.088 2.339 1.00 0.00 C ATOM 172 CD PRO A 11 -11.561 -7.183 1.670 1.00 0.00 C ATOM 0 HA PRO A 11 -13.238 -4.769 0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.780 -5.218 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.262 -5.440 2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.882 -7.563 3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.667 -7.595 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.746 -7.173 2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.462 -8.102 1.091 1.00 0.00 H new ATOM 180 N ASP A 12 -12.578 -2.585 1.314 1.00 0.00 N ATOM 181 CA ASP A 12 -12.086 -1.242 1.588 1.00 0.00 C ATOM 182 C ASP A 12 -11.718 -1.064 3.056 1.00 0.00 C ATOM 183 O ASP A 12 -10.800 -0.317 3.392 1.00 0.00 O ATOM 184 CB ASP A 12 -13.148 -0.221 1.199 1.00 0.00 C ATOM 185 CG ASP A 12 -13.265 -0.042 -0.300 1.00 0.00 C ATOM 186 OD1 ASP A 12 -12.525 0.785 -0.868 1.00 0.00 O ATOM 187 OD2 ASP A 12 -14.095 -0.738 -0.925 1.00 0.00 O ATOM 0 H ASP A 12 -13.506 -2.608 0.891 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.183 -1.088 0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.112 -0.535 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.909 0.738 1.658 1.00 0.00 H new ATOM 192 N ALA A 13 -12.443 -1.755 3.923 1.00 0.00 N ATOM 193 CA ALA A 13 -12.211 -1.682 5.363 1.00 0.00 C ATOM 194 C ALA A 13 -10.834 -2.226 5.756 1.00 0.00 C ATOM 195 O ALA A 13 -10.245 -1.782 6.741 1.00 0.00 O ATOM 196 CB ALA A 13 -13.304 -2.432 6.109 1.00 0.00 C ATOM 0 H ALA A 13 -13.204 -2.379 3.654 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.236 -0.629 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.120 -2.371 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.272 -1.986 5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.304 -3.477 5.800 1.00 0.00 H new ATOM 202 N GLU A 14 -10.314 -3.170 4.975 1.00 0.00 N ATOM 203 CA GLU A 14 -9.029 -3.792 5.283 1.00 0.00 C ATOM 204 C GLU A 14 -7.874 -2.969 4.712 1.00 0.00 C ATOM 205 O GLU A 14 -6.715 -3.382 4.757 1.00 0.00 O ATOM 206 CB GLU A 14 -8.982 -5.231 4.751 1.00 0.00 C ATOM 207 CG GLU A 14 -9.893 -6.191 5.511 1.00 0.00 C ATOM 208 CD GLU A 14 -9.805 -7.622 5.008 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.711 -8.219 5.077 1.00 0.00 O ATOM 210 OE2 GLU A 14 -10.838 -8.168 4.567 1.00 0.00 O ATOM 0 H GLU A 14 -10.761 -3.520 4.127 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.920 -3.823 6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.265 -5.230 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.957 -5.597 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.633 -6.168 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.924 -5.846 5.428 1.00 0.00 H new ATOM 217 N ILE A 15 -8.201 -1.798 4.189 1.00 0.00 N ATOM 218 CA ILE A 15 -7.201 -0.889 3.652 1.00 0.00 C ATOM 219 C ILE A 15 -7.267 0.444 4.390 1.00 0.00 C ATOM 220 O ILE A 15 -8.270 1.154 4.314 1.00 0.00 O ATOM 221 CB ILE A 15 -7.406 -0.653 2.140 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.421 -1.989 1.387 1.00 0.00 C ATOM 223 CG2 ILE A 15 -6.318 0.262 1.590 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.757 -1.858 -0.084 1.00 0.00 C ATOM 0 H ILE A 15 -9.159 -1.453 4.125 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.221 -1.345 3.795 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.370 -0.165 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.444 -2.462 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.146 -2.653 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.478 0.417 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.354 1.221 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.342 -0.198 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.748 -2.844 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.747 -1.414 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.018 -1.221 -0.571 1.00 0.00 H new ATOM 236 N GLU A 16 -6.207 0.776 5.114 1.00 0.00 N ATOM 237 CA GLU A 16 -6.181 2.001 5.904 1.00 0.00 C ATOM 238 C GLU A 16 -5.621 3.158 5.084 1.00 0.00 C ATOM 239 O GLU A 16 -4.410 3.266 4.870 1.00 0.00 O ATOM 240 CB GLU A 16 -5.367 1.798 7.187 1.00 0.00 C ATOM 241 CG GLU A 16 -5.214 3.055 8.038 1.00 0.00 C ATOM 242 CD GLU A 16 -6.540 3.699 8.384 1.00 0.00 C ATOM 243 OE1 GLU A 16 -7.282 3.136 9.219 1.00 0.00 O ATOM 244 OE2 GLU A 16 -6.850 4.773 7.823 1.00 0.00 O ATOM 0 H GLU A 16 -5.356 0.217 5.171 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.204 2.249 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.844 1.023 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.376 1.431 6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.688 2.802 8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.594 3.776 7.504 1.00 0.00 H new ATOM 251 N LEU A 17 -6.525 4.005 4.611 1.00 0.00 N ATOM 252 CA LEU A 17 -6.154 5.183 3.846 1.00 0.00 C ATOM 253 C LEU A 17 -6.232 6.422 4.729 1.00 0.00 C ATOM 254 O LEU A 17 -7.322 6.844 5.119 1.00 0.00 O ATOM 255 CB LEU A 17 -7.098 5.350 2.652 1.00 0.00 C ATOM 256 CG LEU A 17 -7.106 4.186 1.660 1.00 0.00 C ATOM 257 CD1 LEU A 17 -8.196 4.385 0.616 1.00 0.00 C ATOM 258 CD2 LEU A 17 -5.748 4.051 0.989 1.00 0.00 C ATOM 0 H LEU A 17 -7.530 3.894 4.747 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.133 5.060 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.111 5.493 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.825 6.260 2.118 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.315 3.267 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.188 3.548 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.167 4.437 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.015 5.312 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.771 3.218 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.514 4.971 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.985 3.867 1.745 1.00 0.00 H new ATOM 270 N THR A 18 -5.090 6.997 5.056 1.00 0.00 N ATOM 271 CA THR A 18 -5.069 8.203 5.865 1.00 0.00 C ATOM 272 C THR A 18 -4.384 9.335 5.109 1.00 0.00 C ATOM 273 O THR A 18 -3.495 9.093 4.293 1.00 0.00 O ATOM 274 CB THR A 18 -4.333 7.975 7.201 1.00 0.00 C ATOM 275 OG1 THR A 18 -4.354 6.582 7.554 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.976 8.791 8.311 1.00 0.00 C ATOM 0 H THR A 18 -4.171 6.653 4.777 1.00 0.00 H new ATOM 0 HA THR A 18 -6.104 8.470 6.077 1.00 0.00 H new ATOM 0 HB THR A 18 -3.299 8.297 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.446 6.287 7.776 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.443 8.617 9.246 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.929 9.850 8.058 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.018 8.492 8.426 1.00 0.00 H new ATOM 284 N ALA A 19 -4.801 10.559 5.367 1.00 0.00 N ATOM 285 CA ALA A 19 -4.198 11.720 4.731 1.00 0.00 C ATOM 286 C ALA A 19 -3.347 12.491 5.732 1.00 0.00 C ATOM 287 O ALA A 19 -3.644 12.513 6.927 1.00 0.00 O ATOM 288 CB ALA A 19 -5.272 12.620 4.140 1.00 0.00 C ATOM 0 H ALA A 19 -5.558 10.778 6.015 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.554 11.376 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.804 13.484 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.843 12.065 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.940 12.957 4.932 1.00 0.00 H new ATOM 294 N ILE A 20 -2.283 13.102 5.242 1.00 0.00 N ATOM 295 CA ILE A 20 -1.403 13.910 6.065 1.00 0.00 C ATOM 296 C ILE A 20 -1.260 15.281 5.412 1.00 0.00 C ATOM 297 O ILE A 20 -1.629 15.463 4.250 1.00 0.00 O ATOM 298 CB ILE A 20 0.000 13.260 6.214 1.00 0.00 C ATOM 299 CG1 ILE A 20 -0.124 11.755 6.479 1.00 0.00 C ATOM 300 CG2 ILE A 20 0.790 13.920 7.341 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.206 11.038 6.543 1.00 0.00 C ATOM 0 H ILE A 20 -2.005 13.051 4.262 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.836 13.995 7.062 1.00 0.00 H new ATOM 0 HB ILE A 20 0.536 13.410 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.654 11.603 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.732 11.306 5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.768 13.447 7.425 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.917 14.981 7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.249 13.804 8.280 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.039 9.978 6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.730 11.158 5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.809 11.460 7.347 1.00 0.00 H new ATOM 313 N ARG A 21 -0.755 16.247 6.150 1.00 0.00 N ATOM 314 CA ARG A 21 -0.526 17.572 5.609 1.00 0.00 C ATOM 315 C ARG A 21 0.968 17.832 5.480 1.00 0.00 C ATOM 316 O ARG A 21 1.777 17.225 6.184 1.00 0.00 O ATOM 317 CB ARG A 21 -1.178 18.629 6.496 1.00 0.00 C ATOM 318 CG ARG A 21 -2.677 18.438 6.639 1.00 0.00 C ATOM 319 CD ARG A 21 -3.285 19.453 7.588 1.00 0.00 C ATOM 320 NE ARG A 21 -4.686 19.149 7.865 1.00 0.00 N ATOM 321 CZ ARG A 21 -5.262 19.301 9.059 1.00 0.00 C ATOM 322 NH1 ARG A 21 -4.560 19.772 10.085 1.00 0.00 N ATOM 323 NH2 ARG A 21 -6.541 18.988 9.218 1.00 0.00 N ATOM 0 H ARG A 21 -0.494 16.140 7.130 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.977 17.630 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.718 18.601 7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.981 19.617 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.150 18.526 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.882 17.431 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.722 19.464 8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.206 20.451 7.156 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.260 18.799 7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.578 20.018 9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.003 19.887 10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.081 18.632 8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.985 19.103 10.129 1.00 0.00 H new ATOM 337 N ALA A 22 1.327 18.729 4.583 1.00 0.00 N ATOM 338 CA ALA A 22 2.727 19.014 4.307 1.00 0.00 C ATOM 339 C ALA A 22 3.027 20.489 4.504 1.00 0.00 C ATOM 340 O ALA A 22 2.114 21.303 4.663 1.00 0.00 O ATOM 341 CB ALA A 22 3.084 18.580 2.892 1.00 0.00 C ATOM 0 H ALA A 22 0.668 19.276 4.029 1.00 0.00 H new ATOM 0 HA ALA A 22 3.338 18.448 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.134 18.799 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.911 17.509 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.463 19.121 2.178 1.00 0.00 H new ATOM 347 N GLN A 23 4.305 20.826 4.491 1.00 0.00 N ATOM 348 CA GLN A 23 4.739 22.196 4.688 1.00 0.00 C ATOM 349 C GLN A 23 4.642 22.979 3.387 1.00 0.00 C ATOM 350 O GLN A 23 4.929 22.448 2.314 1.00 0.00 O ATOM 351 CB GLN A 23 6.173 22.216 5.207 1.00 0.00 C ATOM 352 CG GLN A 23 6.384 21.340 6.431 1.00 0.00 C ATOM 353 CD GLN A 23 7.807 21.397 6.944 1.00 0.00 C ATOM 354 OE1 GLN A 23 8.664 20.623 6.518 1.00 0.00 O ATOM 355 NE2 GLN A 23 8.065 22.302 7.871 1.00 0.00 N ATOM 0 H GLN A 23 5.065 20.162 4.345 1.00 0.00 H new ATOM 0 HA GLN A 23 4.087 22.667 5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.843 21.886 4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.449 23.242 5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.703 21.655 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.131 20.309 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.325 22.924 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.004 22.379 8.262 1.00 0.00 H new ATOM 364 N GLY A 24 4.217 24.228 3.486 1.00 0.00 N ATOM 365 CA GLY A 24 4.113 25.073 2.321 1.00 0.00 C ATOM 366 C GLY A 24 4.182 26.537 2.689 1.00 0.00 C ATOM 367 O GLY A 24 4.731 26.889 3.734 1.00 0.00 O ATOM 0 H GLY A 24 3.940 24.673 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.916 24.834 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.174 24.870 1.806 1.00 0.00 H new ATOM 371 N ALA A 25 3.623 27.382 1.828 1.00 0.00 N ATOM 372 CA ALA A 25 3.595 28.830 2.041 1.00 0.00 C ATOM 373 C ALA A 25 5.006 29.405 2.154 1.00 0.00 C ATOM 374 O ALA A 25 5.230 30.420 2.818 1.00 0.00 O ATOM 375 CB ALA A 25 2.774 29.165 3.278 1.00 0.00 C ATOM 0 H ALA A 25 3.175 27.084 0.961 1.00 0.00 H new ATOM 0 HA ALA A 25 3.123 29.290 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.761 30.245 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.754 28.805 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.218 28.685 4.150 1.00 0.00 H new ATOM 381 N GLY A 26 5.948 28.758 1.484 1.00 0.00 N ATOM 382 CA GLY A 26 7.326 29.189 1.527 1.00 0.00 C ATOM 383 C GLY A 26 8.261 28.078 1.109 1.00 0.00 C ATOM 384 O GLY A 26 7.940 26.905 1.284 1.00 0.00 O ATOM 0 H GLY A 26 5.778 27.935 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.461 30.048 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.576 29.517 2.536 1.00 0.00 H new ATOM 388 N GLY A 27 9.408 28.438 0.556 1.00 0.00 N ATOM 389 CA GLY A 27 10.346 27.437 0.086 1.00 0.00 C ATOM 390 C GLY A 27 10.453 27.425 -1.426 1.00 0.00 C ATOM 391 O GLY A 27 10.924 26.448 -2.015 1.00 0.00 O ATOM 0 H GLY A 27 9.708 29.404 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.328 27.630 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.032 26.453 0.435 1.00 0.00 H new ATOM 395 N GLN A 28 10.013 28.526 -2.038 1.00 0.00 N ATOM 396 CA GLN A 28 10.072 28.722 -3.486 1.00 0.00 C ATOM 397 C GLN A 28 9.086 27.823 -4.232 1.00 0.00 C ATOM 398 O GLN A 28 9.226 26.597 -4.241 1.00 0.00 O ATOM 399 CB GLN A 28 11.496 28.504 -4.008 1.00 0.00 C ATOM 400 CG GLN A 28 11.656 28.792 -5.490 1.00 0.00 C ATOM 401 CD GLN A 28 11.386 30.244 -5.830 1.00 0.00 C ATOM 402 OE1 GLN A 28 10.255 30.623 -6.121 1.00 0.00 O ATOM 403 NE2 GLN A 28 12.424 31.061 -5.791 1.00 0.00 N ATOM 0 H GLN A 28 9.602 29.314 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 28 9.781 29.754 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.180 29.141 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.790 27.473 -3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.668 28.531 -5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.975 28.157 -6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.346 30.702 -5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.303 32.050 -6.008 1.00 0.00 H new ATOM 412 N ASN A 29 8.081 28.463 -4.833 1.00 0.00 N ATOM 413 CA ASN A 29 7.115 27.814 -5.739 1.00 0.00 C ATOM 414 C ASN A 29 6.096 26.954 -4.981 1.00 0.00 C ATOM 415 O ASN A 29 5.032 26.622 -5.504 1.00 0.00 O ATOM 416 CB ASN A 29 7.854 26.965 -6.791 1.00 0.00 C ATOM 417 CG ASN A 29 7.057 26.736 -8.071 1.00 0.00 C ATOM 418 OD1 ASN A 29 5.830 26.713 -8.073 1.00 0.00 O ATOM 419 ND2 ASN A 29 7.764 26.547 -9.175 1.00 0.00 N ATOM 0 H ASN A 29 7.908 29.460 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 29 6.560 28.606 -6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.795 27.455 -7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.105 25.999 -6.353 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.289 26.376 -10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.783 26.572 -9.139 1.00 0.00 H new ATOM 426 N VAL A 30 6.396 26.636 -3.738 1.00 0.00 N ATOM 427 CA VAL A 30 5.527 25.775 -2.945 1.00 0.00 C ATOM 428 C VAL A 30 4.683 26.578 -1.958 1.00 0.00 C ATOM 429 O VAL A 30 5.130 26.934 -0.866 1.00 0.00 O ATOM 430 CB VAL A 30 6.319 24.671 -2.204 1.00 0.00 C ATOM 431 CG1 VAL A 30 6.762 23.592 -3.179 1.00 0.00 C ATOM 432 CG2 VAL A 30 7.523 25.249 -1.477 1.00 0.00 C ATOM 0 H VAL A 30 7.233 26.958 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 30 4.854 25.286 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 30 5.657 24.227 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.318 22.823 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.886 23.145 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.400 24.033 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.058 24.449 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.187 25.728 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.188 25.985 -0.746 1.00 0.00 H new ATOM 442 N ASN A 31 3.461 26.891 -2.364 1.00 0.00 N ATOM 443 CA ASN A 31 2.526 27.597 -1.493 1.00 0.00 C ATOM 444 C ASN A 31 1.232 26.807 -1.360 1.00 0.00 C ATOM 445 O ASN A 31 0.208 27.328 -0.918 1.00 0.00 O ATOM 446 CB ASN A 31 2.223 28.995 -2.033 1.00 0.00 C ATOM 447 CG ASN A 31 3.458 29.864 -2.176 1.00 0.00 C ATOM 448 OD1 ASN A 31 3.889 30.514 -1.228 1.00 0.00 O ATOM 449 ND2 ASN A 31 4.022 29.894 -3.372 1.00 0.00 N ATOM 0 H ASN A 31 3.092 26.669 -3.289 1.00 0.00 H new ATOM 0 HA ASN A 31 2.990 27.698 -0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.737 28.904 -3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.515 29.489 -1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.847 30.473 -3.533 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.632 29.339 -4.134 1.00 0.00 H new ATOM 456 N LYS A 32 1.300 25.542 -1.729 1.00 0.00 N ATOM 457 CA LYS A 32 0.147 24.655 -1.689 1.00 0.00 C ATOM 458 C LYS A 32 0.465 23.404 -0.883 1.00 0.00 C ATOM 459 O LYS A 32 1.613 22.970 -0.823 1.00 0.00 O ATOM 460 CB LYS A 32 -0.281 24.272 -3.112 1.00 0.00 C ATOM 461 CG LYS A 32 -1.066 25.357 -3.834 1.00 0.00 C ATOM 462 CD LYS A 32 -2.479 25.485 -3.281 1.00 0.00 C ATOM 463 CE LYS A 32 -3.229 26.652 -3.905 1.00 0.00 C ATOM 464 NZ LYS A 32 -2.684 27.959 -3.459 1.00 0.00 N ATOM 0 H LYS A 32 2.155 25.098 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.676 25.181 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.608 24.031 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.888 23.368 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.547 26.310 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.110 25.128 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.026 24.561 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.435 25.618 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.168 26.584 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.285 26.589 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.328 28.722 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.592 27.961 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.750 28.111 -3.890 1.00 0.00 H new ATOM 478 N VAL A 33 -0.558 22.841 -0.259 1.00 0.00 N ATOM 479 CA VAL A 33 -0.398 21.630 0.525 1.00 0.00 C ATOM 480 C VAL A 33 -0.230 20.430 -0.397 1.00 0.00 C ATOM 481 O VAL A 33 -1.015 20.236 -1.328 1.00 0.00 O ATOM 482 CB VAL A 33 -1.605 21.396 1.460 1.00 0.00 C ATOM 483 CG1 VAL A 33 -1.355 20.210 2.377 1.00 0.00 C ATOM 484 CG2 VAL A 33 -1.906 22.650 2.268 1.00 0.00 C ATOM 0 H VAL A 33 -1.510 23.206 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 33 0.493 21.750 1.141 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.475 21.169 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.218 20.064 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.196 19.314 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.471 20.401 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.759 22.466 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.037 22.911 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.138 23.472 1.591 1.00 0.00 H new ATOM 494 N SER A 34 0.810 19.650 -0.152 1.00 0.00 N ATOM 495 CA SER A 34 1.090 18.470 -0.936 1.00 0.00 C ATOM 496 C SER A 34 0.101 17.352 -0.609 1.00 0.00 C ATOM 497 O SER A 34 -0.739 17.496 0.280 1.00 0.00 O ATOM 498 CB SER A 34 2.512 18.016 -0.633 1.00 0.00 C ATOM 499 OG SER A 34 3.410 19.111 -0.688 1.00 0.00 O ATOM 0 H SER A 34 1.481 19.822 0.597 1.00 0.00 H new ATOM 0 HA SER A 34 0.988 18.706 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.550 17.558 0.355 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.816 17.253 -1.350 1.00 0.00 H new ATOM 0 HG SER A 34 4.318 18.800 -0.489 1.00 0.00 H new ATOM 505 N SER A 35 0.207 16.243 -1.327 1.00 0.00 N ATOM 506 CA SER A 35 -0.642 15.093 -1.079 1.00 0.00 C ATOM 507 C SER A 35 -0.317 14.479 0.279 1.00 0.00 C ATOM 508 O SER A 35 -1.090 14.617 1.225 1.00 0.00 O ATOM 509 CB SER A 35 -0.465 14.060 -2.192 1.00 0.00 C ATOM 510 OG SER A 35 0.911 13.836 -2.461 1.00 0.00 O ATOM 0 H SER A 35 0.875 16.118 -2.087 1.00 0.00 H new ATOM 0 HA SER A 35 -1.682 15.418 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.940 13.123 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.965 14.405 -3.097 1.00 0.00 H new ATOM 0 HG SER A 35 1.161 14.293 -3.291 1.00 0.00 H new ATOM 516 N ALA A 36 0.843 13.819 0.351 1.00 0.00 N ATOM 517 CA ALA A 36 1.360 13.229 1.584 1.00 0.00 C ATOM 518 C ALA A 36 0.312 12.382 2.293 1.00 0.00 C ATOM 519 O ALA A 36 -0.366 12.844 3.202 1.00 0.00 O ATOM 520 CB ALA A 36 1.895 14.308 2.515 1.00 0.00 C ATOM 0 H ALA A 36 1.453 13.679 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 36 2.181 12.568 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.275 13.847 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.701 14.849 2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.093 15.002 2.767 1.00 0.00 H new ATOM 526 N MET A 37 0.160 11.148 1.857 1.00 0.00 N ATOM 527 CA MET A 37 -0.817 10.270 2.461 1.00 0.00 C ATOM 528 C MET A 37 -0.142 9.151 3.236 1.00 0.00 C ATOM 529 O MET A 37 0.954 8.707 2.893 1.00 0.00 O ATOM 530 CB MET A 37 -1.730 9.670 1.394 1.00 0.00 C ATOM 531 CG MET A 37 -2.531 10.699 0.615 1.00 0.00 C ATOM 532 SD MET A 37 -3.746 9.942 -0.473 1.00 0.00 S ATOM 533 CE MET A 37 -4.813 9.145 0.727 1.00 0.00 C ATOM 0 H MET A 37 0.696 10.735 1.094 1.00 0.00 H new ATOM 0 HA MET A 37 -1.413 10.866 3.153 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.125 9.092 0.696 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.419 8.973 1.871 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.038 11.365 1.313 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.851 11.313 0.024 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.855 9.288 0.439 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.589 8.079 0.761 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.645 9.583 1.711 1.00 0.00 H new ATOM 543 N HIS A 38 -0.810 8.703 4.286 1.00 0.00 N ATOM 544 CA HIS A 38 -0.359 7.561 5.060 1.00 0.00 C ATOM 545 C HIS A 38 -1.076 6.318 4.584 1.00 0.00 C ATOM 546 O HIS A 38 -2.300 6.210 4.677 1.00 0.00 O ATOM 547 CB HIS A 38 -0.612 7.776 6.552 1.00 0.00 C ATOM 548 CG HIS A 38 -0.510 6.536 7.395 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.616 5.871 7.883 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.566 5.846 7.851 1.00 0.00 C ATOM 551 CE1 HIS A 38 -1.225 4.835 8.598 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.091 4.793 8.597 1.00 0.00 N ATOM 0 H HIS A 38 -1.677 9.120 4.624 1.00 0.00 H new ATOM 0 HA HIS A 38 0.715 7.442 4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.101 8.511 6.925 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.606 8.204 6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.603 6.081 7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.876 4.136 9.101 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.664 4.095 9.071 1.00 0.00 H new ATOM 561 N LEU A 39 -0.306 5.395 4.078 1.00 0.00 N ATOM 562 CA LEU A 39 -0.837 4.155 3.570 1.00 0.00 C ATOM 563 C LEU A 39 -0.506 3.036 4.534 1.00 0.00 C ATOM 564 O LEU A 39 0.668 2.777 4.804 1.00 0.00 O ATOM 565 CB LEU A 39 -0.260 3.835 2.185 1.00 0.00 C ATOM 566 CG LEU A 39 -0.750 4.710 1.026 1.00 0.00 C ATOM 567 CD1 LEU A 39 -2.265 4.785 1.011 1.00 0.00 C ATOM 568 CD2 LEU A 39 -0.139 6.103 1.090 1.00 0.00 C ATOM 0 H LEU A 39 0.708 5.479 4.005 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.918 4.253 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.826 3.916 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.490 2.796 1.950 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.422 4.246 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.590 5.411 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.678 3.783 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.617 5.215 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.506 6.700 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.420 6.581 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.947 6.027 1.032 1.00 0.00 H new ATOM 580 N ARG A 40 -1.531 2.402 5.078 1.00 0.00 N ATOM 581 CA ARG A 40 -1.326 1.277 5.970 1.00 0.00 C ATOM 582 C ARG A 40 -2.112 0.064 5.500 1.00 0.00 C ATOM 583 O ARG A 40 -3.330 0.122 5.323 1.00 0.00 O ATOM 584 CB ARG A 40 -1.715 1.619 7.410 1.00 0.00 C ATOM 585 CG ARG A 40 -1.558 0.438 8.351 1.00 0.00 C ATOM 586 CD ARG A 40 -1.963 0.776 9.771 1.00 0.00 C ATOM 587 NE ARG A 40 -1.885 -0.404 10.627 1.00 0.00 N ATOM 588 CZ ARG A 40 -1.589 -0.376 11.924 1.00 0.00 C ATOM 589 NH1 ARG A 40 -1.415 0.778 12.554 1.00 0.00 N ATOM 590 NH2 ARG A 40 -1.482 -1.513 12.598 1.00 0.00 N ATOM 0 H ARG A 40 -2.508 2.647 4.918 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.262 1.042 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.098 2.445 7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.749 1.962 7.432 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.164 -0.393 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.520 0.104 8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.313 1.559 10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.979 1.171 9.780 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.070 -1.312 10.202 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.508 1.656 12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.188 0.787 13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.626 -2.404 12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.255 -1.497 13.592 1.00 0.00 H new ATOM 604 N PHE A 41 -1.402 -1.025 5.294 1.00 0.00 N ATOM 605 CA PHE A 41 -2.018 -2.283 4.933 1.00 0.00 C ATOM 606 C PHE A 41 -1.440 -3.392 5.798 1.00 0.00 C ATOM 607 O PHE A 41 -0.293 -3.812 5.617 1.00 0.00 O ATOM 608 CB PHE A 41 -1.800 -2.584 3.448 1.00 0.00 C ATOM 609 CG PHE A 41 -2.535 -3.802 2.972 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.905 -3.764 2.763 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.855 -4.987 2.734 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.582 -4.885 2.330 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.529 -6.111 2.301 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.894 -6.058 2.095 1.00 0.00 C ATOM 0 H PHE A 41 -0.386 -1.063 5.372 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.092 -2.219 5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.119 -1.723 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.734 -2.718 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.448 -2.847 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.787 -5.031 2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.650 -4.845 2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.990 -7.030 2.124 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.423 -6.934 1.750 1.00 0.00 H new ATOM 624 N ASP A 42 -2.220 -3.831 6.770 1.00 0.00 N ATOM 625 CA ASP A 42 -1.782 -4.880 7.676 1.00 0.00 C ATOM 626 C ASP A 42 -1.901 -6.239 7.008 1.00 0.00 C ATOM 627 O ASP A 42 -2.941 -6.882 7.097 1.00 0.00 O ATOM 628 CB ASP A 42 -2.605 -4.873 8.967 1.00 0.00 C ATOM 629 CG ASP A 42 -2.457 -3.593 9.765 1.00 0.00 C ATOM 630 OD1 ASP A 42 -3.178 -2.616 9.471 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.634 -3.561 10.700 1.00 0.00 O ATOM 0 H ASP A 42 -3.159 -3.478 6.953 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.739 -4.688 7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.657 -5.020 8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.302 -5.717 9.587 1.00 0.00 H new ATOM 636 N ILE A 43 -0.839 -6.662 6.330 1.00 0.00 N ATOM 637 CA ILE A 43 -0.823 -7.954 5.653 1.00 0.00 C ATOM 638 C ILE A 43 -1.129 -9.069 6.647 1.00 0.00 C ATOM 639 O ILE A 43 -1.879 -9.997 6.354 1.00 0.00 O ATOM 640 CB ILE A 43 0.544 -8.232 4.992 1.00 0.00 C ATOM 641 CG1 ILE A 43 0.950 -7.068 4.088 1.00 0.00 C ATOM 642 CG2 ILE A 43 0.497 -9.529 4.195 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.347 -7.206 3.519 1.00 0.00 C ATOM 0 H ILE A 43 0.024 -6.127 6.235 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.586 -7.925 4.875 1.00 0.00 H new ATOM 0 HB ILE A 43 1.291 -8.335 5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.237 -6.990 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.887 -6.139 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.469 -9.709 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.251 -10.356 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.263 -9.451 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.569 -6.346 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.069 -7.254 4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.410 -8.118 2.925 1.00 0.00 H new ATOM 655 N ASN A 44 -0.546 -8.948 7.832 1.00 0.00 N ATOM 656 CA ASN A 44 -0.755 -9.907 8.908 1.00 0.00 C ATOM 657 C ASN A 44 -2.243 -10.081 9.207 1.00 0.00 C ATOM 658 O ASN A 44 -2.744 -11.199 9.291 1.00 0.00 O ATOM 659 CB ASN A 44 -0.047 -9.419 10.169 1.00 0.00 C ATOM 660 CG ASN A 44 0.077 -10.494 11.233 1.00 0.00 C ATOM 661 OD1 ASN A 44 -0.827 -10.688 12.049 1.00 0.00 O ATOM 662 ND2 ASN A 44 1.210 -11.175 11.246 1.00 0.00 N ATOM 0 H ASN A 44 0.084 -8.183 8.074 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.347 -10.868 8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.948 -9.061 9.905 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.593 -8.570 10.580 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.364 -11.895 11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.930 -10.980 10.551 1.00 0.00 H new ATOM 669 N ALA A 45 -2.939 -8.964 9.349 1.00 0.00 N ATOM 670 CA ALA A 45 -4.346 -8.980 9.741 1.00 0.00 C ATOM 671 C ALA A 45 -5.281 -9.159 8.547 1.00 0.00 C ATOM 672 O ALA A 45 -6.412 -9.620 8.708 1.00 0.00 O ATOM 673 CB ALA A 45 -4.691 -7.700 10.487 1.00 0.00 C ATOM 0 H ALA A 45 -2.555 -8.031 9.199 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.491 -9.839 10.395 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.742 -7.719 10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.071 -7.621 11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.508 -6.842 9.841 1.00 0.00 H new ATOM 679 N SER A 46 -4.814 -8.795 7.360 1.00 0.00 N ATOM 680 CA SER A 46 -5.639 -8.850 6.160 1.00 0.00 C ATOM 681 C SER A 46 -6.047 -10.280 5.828 1.00 0.00 C ATOM 682 O SER A 46 -5.371 -11.244 6.206 1.00 0.00 O ATOM 683 CB SER A 46 -4.904 -8.221 4.972 1.00 0.00 C ATOM 684 OG SER A 46 -3.705 -8.920 4.684 1.00 0.00 O ATOM 0 H SER A 46 -3.865 -8.457 7.202 1.00 0.00 H new ATOM 0 HA SER A 46 -6.546 -8.279 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.552 -8.227 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.676 -7.178 5.192 1.00 0.00 H new ATOM 0 HG SER A 46 -3.351 -9.316 5.508 1.00 0.00 H new ATOM 690 N SER A 47 -7.151 -10.405 5.106 1.00 0.00 N ATOM 691 CA SER A 47 -7.701 -11.700 4.744 1.00 0.00 C ATOM 692 C SER A 47 -6.965 -12.323 3.557 1.00 0.00 C ATOM 693 O SER A 47 -7.472 -13.251 2.922 1.00 0.00 O ATOM 694 CB SER A 47 -9.183 -11.538 4.421 1.00 0.00 C ATOM 695 OG SER A 47 -9.848 -10.828 5.454 1.00 0.00 O ATOM 0 H SER A 47 -7.689 -9.612 4.756 1.00 0.00 H new ATOM 0 HA SER A 47 -7.573 -12.376 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.298 -11.007 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.642 -12.519 4.294 1.00 0.00 H new ATOM 0 HG SER A 47 -10.797 -10.733 5.227 1.00 0.00 H new ATOM 701 N LEU A 48 -5.772 -11.819 3.262 1.00 0.00 N ATOM 702 CA LEU A 48 -4.942 -12.392 2.213 1.00 0.00 C ATOM 703 C LEU A 48 -4.574 -13.832 2.552 1.00 0.00 C ATOM 704 O LEU A 48 -4.348 -14.165 3.720 1.00 0.00 O ATOM 705 CB LEU A 48 -3.668 -11.566 2.019 1.00 0.00 C ATOM 706 CG LEU A 48 -3.858 -10.211 1.338 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.531 -9.474 1.261 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.450 -10.389 -0.054 1.00 0.00 C ATOM 0 H LEU A 48 -5.359 -11.015 3.735 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.514 -12.379 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.211 -11.401 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.962 -12.152 1.431 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.554 -9.618 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.678 -8.510 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.143 -9.317 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.819 -10.066 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.578 -9.413 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.779 -10.997 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.418 -10.884 0.023 1.00 0.00 H new ATOM 720 N PRO A 49 -4.535 -14.713 1.543 1.00 0.00 N ATOM 721 CA PRO A 49 -4.107 -16.099 1.729 1.00 0.00 C ATOM 722 C PRO A 49 -2.677 -16.174 2.253 1.00 0.00 C ATOM 723 O PRO A 49 -1.814 -15.400 1.827 1.00 0.00 O ATOM 724 CB PRO A 49 -4.203 -16.706 0.325 1.00 0.00 C ATOM 725 CG PRO A 49 -5.136 -15.811 -0.415 1.00 0.00 C ATOM 726 CD PRO A 49 -4.925 -14.438 0.152 1.00 0.00 C ATOM 0 HA PRO A 49 -4.718 -16.626 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.226 -16.744 -0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.581 -17.728 0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.928 -15.828 -1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.170 -16.132 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.148 -13.894 -0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.831 -13.835 0.098 1.00 0.00 H new ATOM 734 N PRO A 50 -2.413 -17.101 3.191 1.00 0.00 N ATOM 735 CA PRO A 50 -1.093 -17.266 3.810 1.00 0.00 C ATOM 736 C PRO A 50 0.023 -17.400 2.778 1.00 0.00 C ATOM 737 O PRO A 50 1.149 -16.967 3.017 1.00 0.00 O ATOM 738 CB PRO A 50 -1.226 -18.553 4.640 1.00 0.00 C ATOM 739 CG PRO A 50 -2.511 -19.180 4.209 1.00 0.00 C ATOM 740 CD PRO A 50 -3.383 -18.057 3.735 1.00 0.00 C ATOM 0 HA PRO A 50 -0.820 -16.396 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.384 -19.223 4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.237 -18.331 5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.343 -19.906 3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.980 -19.715 5.035 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.093 -18.388 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.964 -17.625 4.549 1.00 0.00 H new ATOM 748 N PHE A 51 -0.307 -17.982 1.628 1.00 0.00 N ATOM 749 CA PHE A 51 0.642 -18.117 0.527 1.00 0.00 C ATOM 750 C PHE A 51 1.241 -16.764 0.157 1.00 0.00 C ATOM 751 O PHE A 51 2.461 -16.614 0.101 1.00 0.00 O ATOM 752 CB PHE A 51 -0.044 -18.733 -0.695 1.00 0.00 C ATOM 753 CG PHE A 51 0.872 -18.909 -1.876 1.00 0.00 C ATOM 754 CD1 PHE A 51 1.807 -19.932 -1.900 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.793 -18.053 -2.965 1.00 0.00 C ATOM 756 CE1 PHE A 51 2.645 -20.099 -2.986 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.630 -18.216 -4.054 1.00 0.00 C ATOM 758 CZ PHE A 51 2.557 -19.240 -4.065 1.00 0.00 C ATOM 0 H PHE A 51 -1.230 -18.370 1.434 1.00 0.00 H new ATOM 0 HA PHE A 51 1.447 -18.775 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.457 -19.703 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.883 -18.101 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.881 -20.607 -1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.070 -17.251 -2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.369 -20.901 -2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.559 -17.543 -4.896 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.211 -19.369 -4.915 1.00 0.00 H new ATOM 768 N TYR A 52 0.374 -15.784 -0.074 1.00 0.00 N ATOM 769 CA TYR A 52 0.808 -14.450 -0.445 1.00 0.00 C ATOM 770 C TYR A 52 1.569 -13.787 0.696 1.00 0.00 C ATOM 771 O TYR A 52 2.550 -13.082 0.468 1.00 0.00 O ATOM 772 CB TYR A 52 -0.397 -13.593 -0.836 1.00 0.00 C ATOM 773 CG TYR A 52 -0.996 -13.937 -2.184 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.393 -13.509 -3.361 1.00 0.00 C ATOM 775 CD2 TYR A 52 -2.166 -14.681 -2.277 1.00 0.00 C ATOM 776 CE1 TYR A 52 -0.940 -13.813 -4.594 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.718 -14.989 -3.507 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.101 -14.555 -4.662 1.00 0.00 C ATOM 779 OH TYR A 52 -2.650 -14.858 -5.888 1.00 0.00 O ATOM 0 H TYR A 52 -0.638 -15.894 -0.009 1.00 0.00 H new ATOM 0 HA TYR A 52 1.478 -14.537 -1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.167 -13.699 -0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.096 -12.545 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.517 -12.930 -3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.651 -15.024 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.461 -13.471 -5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.629 -15.567 -3.563 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.465 -15.387 -5.760 1.00 0.00 H new ATOM 789 N LYS A 53 1.115 -14.031 1.925 1.00 0.00 N ATOM 790 CA LYS A 53 1.762 -13.472 3.108 1.00 0.00 C ATOM 791 C LYS A 53 3.208 -13.950 3.208 1.00 0.00 C ATOM 792 O LYS A 53 4.112 -13.158 3.469 1.00 0.00 O ATOM 793 CB LYS A 53 0.995 -13.851 4.382 1.00 0.00 C ATOM 794 CG LYS A 53 -0.413 -13.274 4.445 1.00 0.00 C ATOM 795 CD LYS A 53 -1.102 -13.616 5.760 1.00 0.00 C ATOM 796 CE LYS A 53 -2.461 -12.942 5.873 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.145 -13.261 7.154 1.00 0.00 N ATOM 0 H LYS A 53 0.301 -14.612 2.126 1.00 0.00 H new ATOM 0 HA LYS A 53 1.757 -12.386 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.936 -14.937 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.558 -13.507 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.368 -12.191 4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.003 -13.660 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.224 -14.696 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.471 -13.306 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.337 -11.862 5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.090 -13.256 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.167 -13.361 6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.768 -14.152 7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.979 -12.494 7.836 1.00 0.00 H new ATOM 811 N GLU A 54 3.419 -15.246 2.982 1.00 0.00 N ATOM 812 CA GLU A 54 4.763 -15.821 2.997 1.00 0.00 C ATOM 813 C GLU A 54 5.637 -15.181 1.922 1.00 0.00 C ATOM 814 O GLU A 54 6.775 -14.799 2.185 1.00 0.00 O ATOM 815 CB GLU A 54 4.708 -17.336 2.771 1.00 0.00 C ATOM 816 CG GLU A 54 4.073 -18.119 3.909 1.00 0.00 C ATOM 817 CD GLU A 54 4.059 -19.611 3.647 1.00 0.00 C ATOM 818 OE1 GLU A 54 3.121 -20.094 2.979 1.00 0.00 O ATOM 819 OE2 GLU A 54 4.991 -20.312 4.096 1.00 0.00 O ATOM 0 H GLU A 54 2.676 -15.917 2.786 1.00 0.00 H new ATOM 0 HA GLU A 54 5.198 -15.621 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.151 -17.534 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.722 -17.705 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.618 -17.920 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.052 -17.770 4.061 1.00 0.00 H new ATOM 826 N ARG A 55 5.088 -15.060 0.719 1.00 0.00 N ATOM 827 CA ARG A 55 5.820 -14.498 -0.416 1.00 0.00 C ATOM 828 C ARG A 55 6.276 -13.075 -0.119 1.00 0.00 C ATOM 829 O ARG A 55 7.433 -12.731 -0.339 1.00 0.00 O ATOM 830 CB ARG A 55 4.943 -14.504 -1.670 1.00 0.00 C ATOM 831 CG ARG A 55 4.409 -15.879 -2.032 1.00 0.00 C ATOM 832 CD ARG A 55 5.510 -16.814 -2.498 1.00 0.00 C ATOM 833 NE ARG A 55 5.696 -16.764 -3.948 1.00 0.00 N ATOM 834 CZ ARG A 55 6.039 -17.822 -4.688 1.00 0.00 C ATOM 835 NH1 ARG A 55 6.330 -18.982 -4.109 1.00 0.00 N ATOM 836 NH2 ARG A 55 6.106 -17.709 -6.010 1.00 0.00 N ATOM 0 H ARG A 55 4.133 -15.345 0.501 1.00 0.00 H new ATOM 0 HA ARG A 55 6.700 -15.118 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.103 -13.825 -1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.520 -14.115 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.908 -16.312 -1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.660 -15.781 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.444 -16.548 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.270 -17.834 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 55 5.556 -15.871 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.292 -19.069 -3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.591 -19.786 -4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.896 -16.816 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.368 -18.515 -6.578 1.00 0.00 H new ATOM 850 N LEU A 56 5.363 -12.259 0.396 1.00 0.00 N ATOM 851 CA LEU A 56 5.660 -10.865 0.703 1.00 0.00 C ATOM 852 C LEU A 56 6.702 -10.752 1.811 1.00 0.00 C ATOM 853 O LEU A 56 7.630 -9.949 1.726 1.00 0.00 O ATOM 854 CB LEU A 56 4.377 -10.135 1.107 1.00 0.00 C ATOM 855 CG LEU A 56 3.344 -9.976 -0.013 1.00 0.00 C ATOM 856 CD1 LEU A 56 2.088 -9.296 0.507 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.934 -9.187 -1.172 1.00 0.00 C ATOM 0 H LEU A 56 4.406 -12.541 0.610 1.00 0.00 H new ATOM 0 HA LEU A 56 6.072 -10.400 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.915 -10.674 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.642 -9.146 1.480 1.00 0.00 H new ATOM 0 HG LEU A 56 3.072 -10.969 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.368 -9.193 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.652 -9.897 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.342 -8.309 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.187 -9.083 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.234 -8.199 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.804 -9.713 -1.565 1.00 0.00 H new ATOM 869 N LEU A 57 6.537 -11.553 2.851 1.00 0.00 N ATOM 870 CA LEU A 57 7.482 -11.580 3.960 1.00 0.00 C ATOM 871 C LEU A 57 8.870 -11.998 3.471 1.00 0.00 C ATOM 872 O LEU A 57 9.881 -11.406 3.855 1.00 0.00 O ATOM 873 CB LEU A 57 6.982 -12.551 5.034 1.00 0.00 C ATOM 874 CG LEU A 57 7.292 -12.155 6.481 1.00 0.00 C ATOM 875 CD1 LEU A 57 6.578 -13.086 7.446 1.00 0.00 C ATOM 876 CD2 LEU A 57 8.792 -12.173 6.749 1.00 0.00 C ATOM 0 H LEU A 57 5.753 -12.198 2.952 1.00 0.00 H new ATOM 0 HA LEU A 57 7.558 -10.580 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.902 -12.656 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.418 -13.532 4.843 1.00 0.00 H new ATOM 0 HG LEU A 57 6.933 -11.138 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.807 -12.793 8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.502 -13.024 7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.912 -14.110 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.980 -11.888 7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.181 -13.176 6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.289 -11.468 6.082 1.00 0.00 H new ATOM 888 N ALA A 58 8.902 -12.995 2.603 1.00 0.00 N ATOM 889 CA ALA A 58 10.159 -13.547 2.101 1.00 0.00 C ATOM 890 C ALA A 58 10.700 -12.746 0.918 1.00 0.00 C ATOM 891 O ALA A 58 11.512 -13.247 0.139 1.00 0.00 O ATOM 892 CB ALA A 58 9.963 -15.005 1.706 1.00 0.00 C ATOM 0 H ALA A 58 8.068 -13.445 2.226 1.00 0.00 H new ATOM 0 HA ALA A 58 10.895 -13.483 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.903 -15.410 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.641 -15.577 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.204 -15.072 0.926 1.00 0.00 H new ATOM 898 N LEU A 59 10.263 -11.502 0.788 1.00 0.00 N ATOM 899 CA LEU A 59 10.736 -10.642 -0.280 1.00 0.00 C ATOM 900 C LEU A 59 12.095 -10.054 0.090 1.00 0.00 C ATOM 901 O LEU A 59 12.499 -10.071 1.255 1.00 0.00 O ATOM 902 CB LEU A 59 9.723 -9.525 -0.538 1.00 0.00 C ATOM 903 CG LEU A 59 9.216 -9.394 -1.984 1.00 0.00 C ATOM 904 CD1 LEU A 59 10.327 -8.939 -2.920 1.00 0.00 C ATOM 905 CD2 LEU A 59 8.632 -10.713 -2.461 1.00 0.00 C ATOM 0 H LEU A 59 9.581 -11.068 1.410 1.00 0.00 H new ATOM 0 HA LEU A 59 10.846 -11.230 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.864 -9.683 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.175 -8.577 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 59 8.433 -8.635 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.937 -8.856 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.702 -7.969 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.139 -9.666 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.277 -10.604 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.400 -11.486 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.799 -10.996 -1.817 1.00 0.00 H new ATOM 917 N ASN A 60 12.790 -9.526 -0.901 1.00 0.00 N ATOM 918 CA ASN A 60 14.119 -8.955 -0.705 1.00 0.00 C ATOM 919 C ASN A 60 14.016 -7.471 -0.373 1.00 0.00 C ATOM 920 O ASN A 60 15.003 -6.740 -0.378 1.00 0.00 O ATOM 921 CB ASN A 60 14.950 -9.177 -1.972 1.00 0.00 C ATOM 922 CG ASN A 60 16.438 -8.931 -1.774 1.00 0.00 C ATOM 923 OD1 ASN A 60 17.171 -9.809 -1.309 1.00 0.00 O ATOM 924 ND2 ASN A 60 16.904 -7.757 -2.168 1.00 0.00 N ATOM 0 H ASN A 60 12.454 -9.479 -1.863 1.00 0.00 H new ATOM 0 HA ASN A 60 14.610 -9.448 0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.802 -10.200 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.582 -8.517 -2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.900 -7.552 -2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.267 -7.057 -2.547 1.00 0.00 H new ATOM 931 N ASP A 61 12.814 -7.039 -0.050 1.00 0.00 N ATOM 932 CA ASP A 61 12.564 -5.640 0.217 1.00 0.00 C ATOM 933 C ASP A 61 12.622 -5.369 1.714 1.00 0.00 C ATOM 934 O ASP A 61 12.183 -6.184 2.524 1.00 0.00 O ATOM 935 CB ASP A 61 11.212 -5.215 -0.348 1.00 0.00 C ATOM 936 CG ASP A 61 10.986 -3.733 -0.173 1.00 0.00 C ATOM 937 OD1 ASP A 61 11.511 -2.952 -0.995 1.00 0.00 O ATOM 938 OD2 ASP A 61 10.326 -3.346 0.805 1.00 0.00 O ATOM 0 H ASP A 61 11.994 -7.640 0.034 1.00 0.00 H new ATOM 0 HA ASP A 61 13.340 -5.053 -0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.161 -5.470 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.417 -5.768 0.152 1.00 0.00 H new ATOM 943 N SER A 62 13.182 -4.228 2.067 1.00 0.00 N ATOM 944 CA SER A 62 13.382 -3.871 3.465 1.00 0.00 C ATOM 945 C SER A 62 12.377 -2.823 3.941 1.00 0.00 C ATOM 946 O SER A 62 12.475 -2.328 5.063 1.00 0.00 O ATOM 947 CB SER A 62 14.809 -3.367 3.664 1.00 0.00 C ATOM 948 OG SER A 62 15.749 -4.330 3.210 1.00 0.00 O ATOM 0 H SER A 62 13.509 -3.526 1.403 1.00 0.00 H new ATOM 0 HA SER A 62 13.220 -4.766 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.949 -2.432 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.981 -3.153 4.719 1.00 0.00 H new ATOM 0 HG SER A 62 16.658 -3.989 3.344 1.00 0.00 H new ATOM 954 N ARG A 63 11.414 -2.483 3.095 1.00 0.00 N ATOM 955 CA ARG A 63 10.345 -1.584 3.496 1.00 0.00 C ATOM 956 C ARG A 63 9.148 -2.424 3.900 1.00 0.00 C ATOM 957 O ARG A 63 8.364 -2.049 4.772 1.00 0.00 O ATOM 958 CB ARG A 63 9.974 -0.595 2.376 1.00 0.00 C ATOM 959 CG ARG A 63 11.151 0.230 1.870 1.00 0.00 C ATOM 960 CD ARG A 63 11.959 -0.535 0.834 1.00 0.00 C ATOM 961 NE ARG A 63 13.389 -0.236 0.901 1.00 0.00 N ATOM 962 CZ ARG A 63 14.325 -0.956 0.281 1.00 0.00 C ATOM 963 NH1 ARG A 63 13.979 -1.971 -0.503 1.00 0.00 N ATOM 964 NH2 ARG A 63 15.604 -0.644 0.443 1.00 0.00 N ATOM 0 H ARG A 63 11.352 -2.815 2.132 1.00 0.00 H new ATOM 0 HA ARG A 63 10.681 -0.979 4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.546 -1.150 1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.200 0.080 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.785 1.160 1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.794 0.501 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.808 -1.605 0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.588 -0.293 -0.162 1.00 0.00 H new ATOM 0 HE ARG A 63 13.687 0.568 1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.994 -2.202 -0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.698 -2.519 -0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.866 0.142 1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.326 -1.190 -0.028 1.00 0.00 H new ATOM 978 N ILE A 64 9.023 -3.574 3.245 1.00 0.00 N ATOM 979 CA ILE A 64 8.095 -4.605 3.674 1.00 0.00 C ATOM 980 C ILE A 64 8.581 -5.196 4.994 1.00 0.00 C ATOM 981 O ILE A 64 9.597 -5.895 5.036 1.00 0.00 O ATOM 982 CB ILE A 64 7.966 -5.726 2.616 1.00 0.00 C ATOM 983 CG1 ILE A 64 7.455 -5.147 1.291 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.034 -6.826 3.113 1.00 0.00 C ATOM 985 CD1 ILE A 64 7.349 -6.169 0.176 1.00 0.00 C ATOM 0 H ILE A 64 9.558 -3.813 2.410 1.00 0.00 H new ATOM 0 HA ILE A 64 7.112 -4.153 3.803 1.00 0.00 H new ATOM 0 HB ILE A 64 8.951 -6.162 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.475 -4.699 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.122 -4.346 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.955 -7.606 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.433 -7.253 4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.047 -6.407 3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.981 -5.684 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.331 -6.600 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.658 -6.959 0.471 1.00 0.00 H new ATOM 997 N THR A 65 7.870 -4.896 6.071 1.00 0.00 N ATOM 998 CA THR A 65 8.278 -5.326 7.397 1.00 0.00 C ATOM 999 C THR A 65 8.153 -6.837 7.550 1.00 0.00 C ATOM 1000 O THR A 65 7.309 -7.470 6.911 1.00 0.00 O ATOM 1001 CB THR A 65 7.443 -4.635 8.488 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.048 -4.843 8.240 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.735 -3.144 8.539 1.00 0.00 C ATOM 0 H THR A 65 7.006 -4.355 6.051 1.00 0.00 H new ATOM 0 HA THR A 65 9.324 -5.042 7.516 1.00 0.00 H new ATOM 0 HB THR A 65 7.714 -5.072 9.449 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.648 -4.014 7.904 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.131 -2.681 9.319 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.791 -2.987 8.757 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.493 -2.693 7.577 1.00 0.00 H new ATOM 1011 N SER A 66 8.978 -7.407 8.418 1.00 0.00 N ATOM 1012 CA SER A 66 8.984 -8.843 8.641 1.00 0.00 C ATOM 1013 C SER A 66 7.797 -9.267 9.510 1.00 0.00 C ATOM 1014 O SER A 66 7.598 -10.453 9.777 1.00 0.00 O ATOM 1015 CB SER A 66 10.308 -9.262 9.281 1.00 0.00 C ATOM 1016 OG SER A 66 10.701 -8.350 10.296 1.00 0.00 O ATOM 0 H SER A 66 9.655 -6.892 8.981 1.00 0.00 H new ATOM 0 HA SER A 66 8.884 -9.348 7.680 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.209 -10.261 9.705 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.083 -9.315 8.517 1.00 0.00 H new ATOM 0 HG SER A 66 11.549 -8.643 10.689 1.00 0.00 H new ATOM 1022 N ASP A 67 7.023 -8.281 9.949 1.00 0.00 N ATOM 1023 CA ASP A 67 5.799 -8.533 10.704 1.00 0.00 C ATOM 1024 C ASP A 67 4.607 -8.612 9.762 1.00 0.00 C ATOM 1025 O ASP A 67 3.520 -9.046 10.148 1.00 0.00 O ATOM 1026 CB ASP A 67 5.559 -7.434 11.747 1.00 0.00 C ATOM 1027 CG ASP A 67 6.537 -7.500 12.901 1.00 0.00 C ATOM 1028 OD1 ASP A 67 7.616 -6.876 12.810 1.00 0.00 O ATOM 1029 OD2 ASP A 67 6.236 -8.179 13.907 1.00 0.00 O ATOM 0 H ASP A 67 7.223 -7.293 9.794 1.00 0.00 H new ATOM 0 HA ASP A 67 5.915 -9.485 11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.636 -6.459 11.266 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.543 -7.520 12.132 1.00 0.00 H new ATOM 1034 N GLY A 68 4.820 -8.187 8.522 1.00 0.00 N ATOM 1035 CA GLY A 68 3.753 -8.191 7.547 1.00 0.00 C ATOM 1036 C GLY A 68 2.854 -6.981 7.683 1.00 0.00 C ATOM 1037 O GLY A 68 1.631 -7.107 7.705 1.00 0.00 O ATOM 0 H GLY A 68 5.715 -7.840 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.179 -8.215 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.160 -9.098 7.663 1.00 0.00 H new ATOM 1041 N VAL A 69 3.456 -5.804 7.791 1.00 0.00 N ATOM 1042 CA VAL A 69 2.700 -4.563 7.897 1.00 0.00 C ATOM 1043 C VAL A 69 3.226 -3.545 6.893 1.00 0.00 C ATOM 1044 O VAL A 69 4.416 -3.230 6.880 1.00 0.00 O ATOM 1045 CB VAL A 69 2.786 -3.952 9.313 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.849 -2.764 9.446 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.482 -4.990 10.380 1.00 0.00 C ATOM 0 H VAL A 69 4.469 -5.682 7.808 1.00 0.00 H new ATOM 0 HA VAL A 69 1.658 -4.803 7.687 1.00 0.00 H new ATOM 0 HB VAL A 69 3.808 -3.604 9.462 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.927 -2.350 10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.123 -2.001 8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.824 -3.087 9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.551 -4.530 11.366 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.475 -5.381 10.231 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.202 -5.806 10.310 1.00 0.00 H new ATOM 1057 N ILE A 70 2.342 -3.049 6.049 1.00 0.00 N ATOM 1058 CA ILE A 70 2.705 -2.065 5.041 1.00 0.00 C ATOM 1059 C ILE A 70 2.376 -0.662 5.532 1.00 0.00 C ATOM 1060 O ILE A 70 1.207 -0.326 5.720 1.00 0.00 O ATOM 1061 CB ILE A 70 1.970 -2.333 3.705 1.00 0.00 C ATOM 1062 CG1 ILE A 70 2.432 -3.658 3.090 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.180 -1.188 2.725 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.913 -3.705 2.786 1.00 0.00 C ATOM 0 H ILE A 70 1.357 -3.313 6.040 1.00 0.00 H new ATOM 0 HA ILE A 70 3.778 -2.147 4.867 1.00 0.00 H new ATOM 0 HB ILE A 70 0.903 -2.404 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.185 -4.471 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.876 -3.834 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.653 -1.403 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.793 -0.265 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.245 -1.075 2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.165 -4.673 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.165 -2.915 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.478 -3.561 3.707 1.00 0.00 H new ATOM 1076 N VAL A 71 3.408 0.139 5.774 1.00 0.00 N ATOM 1077 CA VAL A 71 3.230 1.521 6.197 1.00 0.00 C ATOM 1078 C VAL A 71 4.153 2.440 5.414 1.00 0.00 C ATOM 1079 O VAL A 71 5.372 2.396 5.564 1.00 0.00 O ATOM 1080 CB VAL A 71 3.516 1.717 7.699 1.00 0.00 C ATOM 1081 CG1 VAL A 71 3.228 3.154 8.110 1.00 0.00 C ATOM 1082 CG2 VAL A 71 2.718 0.739 8.548 1.00 0.00 C ATOM 0 H VAL A 71 4.382 -0.149 5.683 1.00 0.00 H new ATOM 0 HA VAL A 71 2.186 1.769 6.005 1.00 0.00 H new ATOM 0 HB VAL A 71 4.573 1.513 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.435 3.277 9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.862 3.830 7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.181 3.385 7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.943 0.904 9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.653 0.893 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.986 -0.282 8.276 1.00 0.00 H new ATOM 1092 N LEU A 72 3.569 3.265 4.573 1.00 0.00 N ATOM 1093 CA LEU A 72 4.337 4.210 3.778 1.00 0.00 C ATOM 1094 C LEU A 72 3.689 5.584 3.806 1.00 0.00 C ATOM 1095 O LEU A 72 2.553 5.743 4.264 1.00 0.00 O ATOM 1096 CB LEU A 72 4.478 3.760 2.313 1.00 0.00 C ATOM 1097 CG LEU A 72 5.367 2.536 2.051 1.00 0.00 C ATOM 1098 CD1 LEU A 72 4.627 1.242 2.340 1.00 0.00 C ATOM 1099 CD2 LEU A 72 5.874 2.550 0.618 1.00 0.00 C ATOM 0 H LEU A 72 2.561 3.304 4.419 1.00 0.00 H new ATOM 0 HA LEU A 72 5.331 4.254 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.482 3.547 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.872 4.597 1.736 1.00 0.00 H new ATOM 0 HG LEU A 72 6.220 2.589 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.285 0.395 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.316 1.226 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.748 1.174 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.503 1.677 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.027 2.528 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.456 3.456 0.447 1.00 0.00 H new ATOM 1111 N LYS A 73 4.418 6.566 3.309 1.00 0.00 N ATOM 1112 CA LYS A 73 3.915 7.918 3.181 1.00 0.00 C ATOM 1113 C LYS A 73 4.153 8.387 1.758 1.00 0.00 C ATOM 1114 O LYS A 73 5.286 8.648 1.355 1.00 0.00 O ATOM 1115 CB LYS A 73 4.596 8.865 4.169 1.00 0.00 C ATOM 1116 CG LYS A 73 4.493 8.418 5.620 1.00 0.00 C ATOM 1117 CD LYS A 73 5.086 9.454 6.563 1.00 0.00 C ATOM 1118 CE LYS A 73 4.996 9.009 8.017 1.00 0.00 C ATOM 1119 NZ LYS A 73 5.865 7.835 8.297 1.00 0.00 N ATOM 0 H LYS A 73 5.377 6.447 2.983 1.00 0.00 H new ATOM 0 HA LYS A 73 2.849 7.924 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.648 8.959 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.153 9.856 4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.447 8.247 5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.012 7.468 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.129 9.630 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.561 10.401 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.283 9.835 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.962 8.760 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.892 7.660 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.484 6.997 7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.828 8.026 7.953 1.00 0.00 H new ATOM 1133 N ALA A 74 3.084 8.464 1.002 1.00 0.00 N ATOM 1134 CA ALA A 74 3.167 8.769 -0.416 1.00 0.00 C ATOM 1135 C ALA A 74 2.885 10.238 -0.693 1.00 0.00 C ATOM 1136 O ALA A 74 1.789 10.732 -0.422 1.00 0.00 O ATOM 1137 CB ALA A 74 2.207 7.886 -1.197 1.00 0.00 C ATOM 0 H ALA A 74 2.134 8.319 1.345 1.00 0.00 H new ATOM 0 HA ALA A 74 4.187 8.565 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.277 8.123 -2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.467 6.839 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.188 8.062 -0.852 1.00 0.00 H new ATOM 1143 N GLN A 75 3.887 10.925 -1.215 1.00 0.00 N ATOM 1144 CA GLN A 75 3.760 12.322 -1.604 1.00 0.00 C ATOM 1145 C GLN A 75 4.125 12.473 -3.077 1.00 0.00 C ATOM 1146 O GLN A 75 4.550 13.542 -3.525 1.00 0.00 O ATOM 1147 CB GLN A 75 4.688 13.187 -0.745 1.00 0.00 C ATOM 1148 CG GLN A 75 6.160 12.846 -0.916 1.00 0.00 C ATOM 1149 CD GLN A 75 7.069 13.784 -0.157 1.00 0.00 C ATOM 1150 OE1 GLN A 75 7.470 14.827 -0.668 1.00 0.00 O ATOM 1151 NE2 GLN A 75 7.416 13.412 1.064 1.00 0.00 N ATOM 0 H GLN A 75 4.813 10.531 -1.382 1.00 0.00 H new ATOM 0 HA GLN A 75 2.731 12.649 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.534 14.236 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.415 13.070 0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.334 11.825 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.415 12.878 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.061 12.538 1.451 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.039 13.999 1.618 1.00 0.00 H new ATOM 1160 N GLN A 76 3.945 11.396 -3.829 1.00 0.00 N ATOM 1161 CA GLN A 76 4.413 11.334 -5.207 1.00 0.00 C ATOM 1162 C GLN A 76 3.556 12.199 -6.131 1.00 0.00 C ATOM 1163 O GLN A 76 4.086 12.939 -6.964 1.00 0.00 O ATOM 1164 CB GLN A 76 4.426 9.882 -5.693 1.00 0.00 C ATOM 1165 CG GLN A 76 5.088 9.702 -7.051 1.00 0.00 C ATOM 1166 CD GLN A 76 6.547 10.114 -7.059 1.00 0.00 C ATOM 1167 OE1 GLN A 76 7.067 10.571 -8.073 1.00 0.00 O ATOM 1168 NE2 GLN A 76 7.227 9.928 -5.939 1.00 0.00 N ATOM 0 H GLN A 76 3.476 10.550 -3.506 1.00 0.00 H new ATOM 0 HA GLN A 76 5.429 11.729 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.947 9.266 -4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.401 9.516 -5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.010 8.657 -7.351 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.547 10.288 -7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.760 9.546 -5.116 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.218 10.167 -5.898 1.00 0.00 H new ATOM 1177 N TYR A 77 2.241 12.117 -5.985 1.00 0.00 N ATOM 1178 CA TYR A 77 1.342 12.861 -6.858 1.00 0.00 C ATOM 1179 C TYR A 77 0.987 14.208 -6.235 1.00 0.00 C ATOM 1180 O TYR A 77 1.115 14.395 -5.027 1.00 0.00 O ATOM 1181 CB TYR A 77 0.073 12.049 -7.138 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.595 12.376 -8.460 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -1.488 13.433 -8.576 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -0.323 11.625 -9.597 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -2.092 13.731 -9.784 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -0.925 11.915 -10.809 1.00 0.00 C ATOM 1187 CZ TYR A 77 -1.807 12.971 -10.897 1.00 0.00 C ATOM 1188 OH TYR A 77 -2.410 13.265 -12.100 1.00 0.00 O ATOM 0 H TYR A 77 1.775 11.549 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 77 1.852 13.042 -7.804 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.323 10.988 -7.123 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.640 12.220 -6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.715 14.033 -7.707 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.371 10.800 -9.534 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.785 14.557 -9.854 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.705 11.317 -11.681 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.100 12.635 -12.784 1.00 0.00 H new ATOM 1198 N ARG A 78 0.551 15.138 -7.072 1.00 0.00 N ATOM 1199 CA ARG A 78 0.205 16.484 -6.629 1.00 0.00 C ATOM 1200 C ARG A 78 -1.080 16.479 -5.791 1.00 0.00 C ATOM 1201 O ARG A 78 -1.151 17.128 -4.746 1.00 0.00 O ATOM 1202 CB ARG A 78 0.066 17.416 -7.850 1.00 0.00 C ATOM 1203 CG ARG A 78 -0.157 18.893 -7.513 1.00 0.00 C ATOM 1204 CD ARG A 78 -1.604 19.181 -7.138 1.00 0.00 C ATOM 1205 NE ARG A 78 -1.819 20.573 -6.754 1.00 0.00 N ATOM 1206 CZ ARG A 78 -2.367 20.948 -5.597 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -2.629 20.052 -4.652 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -2.620 22.230 -5.379 1.00 0.00 N ATOM 0 H ARG A 78 0.427 14.984 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 78 1.007 16.857 -5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.966 17.329 -8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.767 17.068 -8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.495 19.179 -6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.125 19.507 -8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.249 18.937 -7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.898 18.531 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.534 21.301 -7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.411 19.068 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.048 20.348 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.396 22.923 -6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.039 22.524 -4.497 1.00 0.00 H new ATOM 1222 N THR A 79 -2.094 15.764 -6.258 1.00 0.00 N ATOM 1223 CA THR A 79 -3.371 15.715 -5.569 1.00 0.00 C ATOM 1224 C THR A 79 -3.478 14.463 -4.708 1.00 0.00 C ATOM 1225 O THR A 79 -2.894 13.428 -5.030 1.00 0.00 O ATOM 1226 CB THR A 79 -4.539 15.765 -6.572 1.00 0.00 C ATOM 1227 OG1 THR A 79 -4.248 14.932 -7.702 1.00 0.00 O ATOM 1228 CG2 THR A 79 -4.797 17.191 -7.034 1.00 0.00 C ATOM 0 H THR A 79 -2.054 15.210 -7.113 1.00 0.00 H new ATOM 0 HA THR A 79 -3.430 16.589 -4.921 1.00 0.00 H new ATOM 0 HB THR A 79 -5.436 15.398 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.995 14.967 -8.335 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.626 17.200 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.047 17.812 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.903 17.584 -7.518 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.224 14.566 -3.617 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.328 13.478 -2.653 1.00 0.00 C ATOM 1238 C GLN A 80 -5.130 12.311 -3.210 1.00 0.00 C ATOM 1239 O GLN A 80 -4.682 11.172 -3.152 1.00 0.00 O ATOM 1240 CB GLN A 80 -4.958 13.964 -1.345 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.065 14.908 -0.555 1.00 0.00 C ATOM 1242 CD GLN A 80 -4.624 15.236 0.819 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -5.839 15.272 1.021 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -3.737 15.459 1.776 1.00 0.00 N ATOM 0 H GLN A 80 -4.768 15.395 -3.376 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.315 13.131 -2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.898 14.468 -1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.199 13.101 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.078 14.459 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.932 15.832 -1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.740 15.419 1.566 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.051 15.670 2.723 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.299 12.594 -3.771 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.182 11.540 -4.266 1.00 0.00 C ATOM 1255 C GLU A 81 -6.531 10.744 -5.397 1.00 0.00 C ATOM 1256 O GLU A 81 -6.693 9.527 -5.479 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.518 12.129 -4.722 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.665 11.829 -3.764 1.00 0.00 C ATOM 1259 CD GLU A 81 -9.375 12.255 -2.337 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -9.629 13.430 -1.998 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -8.910 11.413 -1.540 1.00 0.00 O ATOM 0 H GLU A 81 -6.659 13.540 -3.895 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.367 10.850 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.414 13.209 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.764 11.734 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.564 12.337 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.875 10.760 -3.782 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.781 11.423 -6.257 1.00 0.00 N ATOM 1269 CA GLN A 82 -5.084 10.741 -7.343 1.00 0.00 C ATOM 1270 C GLN A 82 -3.871 9.981 -6.814 1.00 0.00 C ATOM 1271 O GLN A 82 -3.517 8.923 -7.334 1.00 0.00 O ATOM 1272 CB GLN A 82 -4.662 11.732 -8.426 1.00 0.00 C ATOM 1273 CG GLN A 82 -5.835 12.334 -9.184 1.00 0.00 C ATOM 1274 CD GLN A 82 -6.675 11.286 -9.887 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -7.614 10.738 -9.314 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.355 11.012 -11.143 1.00 0.00 N ATOM 0 H GLN A 82 -5.640 12.433 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.774 10.023 -7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.084 12.535 -7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.003 11.228 -9.133 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.463 12.892 -8.490 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.461 13.047 -9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.568 11.488 -11.584 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.895 10.325 -11.669 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.246 10.521 -5.778 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.126 9.861 -5.128 1.00 0.00 C ATOM 1287 C ASN A 83 -2.623 8.624 -4.379 1.00 0.00 C ATOM 1288 O ASN A 83 -1.951 7.595 -4.338 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.432 10.848 -4.183 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.280 10.238 -3.415 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.855 10.192 -3.893 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.558 9.803 -2.200 1.00 0.00 N ATOM 0 H ASN A 83 -3.499 11.420 -5.368 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.400 9.534 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.065 11.696 -4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.164 11.238 -3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.181 9.410 -1.618 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.512 9.860 -1.844 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.805 8.751 -3.785 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.511 7.639 -3.167 1.00 0.00 C ATOM 1301 C ARG A 84 -4.687 6.493 -4.155 1.00 0.00 C ATOM 1302 O ARG A 84 -4.276 5.359 -3.899 1.00 0.00 O ATOM 1303 CB ARG A 84 -5.879 8.132 -2.710 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.656 7.143 -1.868 1.00 0.00 C ATOM 1305 CD ARG A 84 -7.998 7.726 -1.470 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.084 7.295 -2.355 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.263 7.916 -2.449 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.458 9.077 -1.832 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -11.227 7.396 -3.194 1.00 0.00 N ATOM 0 H ARG A 84 -4.303 9.639 -3.720 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.933 7.271 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.747 9.051 -2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.472 8.385 -3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.805 6.219 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.084 6.888 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.229 7.431 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.935 8.814 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.930 6.470 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.706 9.496 -1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.359 9.549 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.069 6.522 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.127 7.870 -3.266 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.315 6.812 -5.280 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.544 5.844 -6.345 1.00 0.00 C ATOM 1325 C ALA A 85 -4.237 5.217 -6.817 1.00 0.00 C ATOM 1326 O ALA A 85 -4.169 4.008 -7.066 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.257 6.511 -7.514 1.00 0.00 C ATOM 0 H ALA A 85 -5.678 7.744 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.173 5.048 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.423 5.779 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.216 6.906 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.643 7.326 -7.898 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.200 6.043 -6.934 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.887 5.575 -7.364 1.00 0.00 C ATOM 1335 C ASP A 86 -1.325 4.574 -6.370 1.00 0.00 C ATOM 1336 O ASP A 86 -0.912 3.478 -6.743 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.922 6.750 -7.502 1.00 0.00 C ATOM 1338 CG ASP A 86 0.391 6.349 -8.138 1.00 0.00 C ATOM 1339 OD1 ASP A 86 0.470 6.340 -9.386 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.358 6.053 -7.405 1.00 0.00 O ATOM 0 H ASP A 86 -3.245 7.043 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.002 5.089 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.389 7.531 -8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.730 7.176 -6.517 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.331 4.962 -5.100 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.838 4.114 -4.019 1.00 0.00 C ATOM 1347 C ALA A 87 -1.549 2.764 -4.006 1.00 0.00 C ATOM 1348 O ALA A 87 -0.912 1.724 -3.848 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.009 4.816 -2.681 1.00 0.00 C ATOM 0 H ALA A 87 -1.676 5.870 -4.790 1.00 0.00 H new ATOM 0 HA ALA A 87 0.223 3.931 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.638 4.173 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.447 5.750 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.065 5.029 -2.514 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.866 2.786 -4.182 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.659 1.560 -4.194 1.00 0.00 C ATOM 1357 C LEU A 88 -3.269 0.666 -5.368 1.00 0.00 C ATOM 1358 O LEU A 88 -3.101 -0.546 -5.213 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.153 1.888 -4.263 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.721 2.586 -3.028 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.193 2.902 -3.226 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.520 1.721 -1.793 1.00 0.00 C ATOM 0 H LEU A 88 -3.408 3.639 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.455 1.022 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.330 2.521 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.705 0.962 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.186 3.525 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.581 3.399 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.312 3.557 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.744 1.977 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.929 2.231 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.031 0.768 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.455 1.543 -1.643 1.00 0.00 H new ATOM 1374 N LEU A 89 -3.114 1.273 -6.534 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.732 0.540 -7.735 1.00 0.00 C ATOM 1376 C LEU A 89 -1.308 0.006 -7.593 1.00 0.00 C ATOM 1377 O LEU A 89 -1.012 -1.132 -7.960 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.833 1.455 -8.959 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.667 0.758 -10.311 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -3.786 -0.247 -10.538 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -2.634 1.784 -11.433 1.00 0.00 C ATOM 0 H LEU A 89 -3.247 2.274 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.411 -0.303 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.803 1.952 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.074 2.233 -8.874 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.720 0.218 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.649 -0.731 -11.505 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.765 -0.999 -9.749 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.746 0.268 -10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.515 1.274 -12.389 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.566 2.349 -11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.797 2.465 -11.279 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.445 0.847 -7.039 1.00 0.00 N ATOM 1394 CA ARG A 90 0.952 0.511 -6.803 1.00 0.00 C ATOM 1395 C ARG A 90 1.062 -0.670 -5.838 1.00 0.00 C ATOM 1396 O ARG A 90 1.869 -1.579 -6.040 1.00 0.00 O ATOM 1397 CB ARG A 90 1.662 1.742 -6.227 1.00 0.00 C ATOM 1398 CG ARG A 90 3.180 1.694 -6.275 1.00 0.00 C ATOM 1399 CD ARG A 90 3.763 2.993 -5.745 1.00 0.00 C ATOM 1400 NE ARG A 90 5.201 3.108 -5.976 1.00 0.00 N ATOM 1401 CZ ARG A 90 5.906 4.215 -5.733 1.00 0.00 C ATOM 1402 NH1 ARG A 90 5.305 5.295 -5.248 1.00 0.00 N ATOM 1403 NH2 ARG A 90 7.209 4.245 -5.988 1.00 0.00 N ATOM 0 H ARG A 90 -0.697 1.789 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 90 1.424 0.221 -7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.325 2.624 -6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.351 1.869 -5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.544 0.855 -5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.514 1.528 -7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.256 3.833 -6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.565 3.064 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 90 5.695 2.295 -6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.303 5.280 -5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.846 6.140 -5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.673 3.421 -6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.746 5.092 -5.802 1.00 0.00 H new ATOM 1417 N LEU A 91 0.232 -0.643 -4.798 1.00 0.00 N ATOM 1418 CA LEU A 91 0.192 -1.713 -3.806 1.00 0.00 C ATOM 1419 C LEU A 91 -0.288 -3.010 -4.438 1.00 0.00 C ATOM 1420 O LEU A 91 0.349 -4.056 -4.299 1.00 0.00 O ATOM 1421 CB LEU A 91 -0.750 -1.328 -2.665 1.00 0.00 C ATOM 1422 CG LEU A 91 -0.807 -2.316 -1.493 1.00 0.00 C ATOM 1423 CD1 LEU A 91 0.540 -2.401 -0.795 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -1.897 -1.909 -0.510 1.00 0.00 C ATOM 0 H LEU A 91 -0.427 0.115 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 91 1.200 -1.860 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.448 -0.353 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.755 -1.214 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.047 -3.304 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.477 -3.107 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.296 -2.739 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.815 -1.418 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.926 -2.619 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.685 -0.912 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.862 -1.904 -1.018 1.00 0.00 H new ATOM 1436 N SER A 92 -1.412 -2.920 -5.131 1.00 0.00 N ATOM 1437 CA SER A 92 -2.011 -4.067 -5.802 1.00 0.00 C ATOM 1438 C SER A 92 -1.020 -4.705 -6.773 1.00 0.00 C ATOM 1439 O SER A 92 -0.889 -5.930 -6.827 1.00 0.00 O ATOM 1440 CB SER A 92 -3.281 -3.633 -6.539 1.00 0.00 C ATOM 1441 OG SER A 92 -3.962 -4.737 -7.105 1.00 0.00 O ATOM 0 H SER A 92 -1.936 -2.052 -5.245 1.00 0.00 H new ATOM 0 HA SER A 92 -2.274 -4.812 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.943 -3.113 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.021 -2.924 -7.325 1.00 0.00 H new ATOM 0 HG SER A 92 -4.674 -4.414 -7.696 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.315 -3.863 -7.523 1.00 0.00 N ATOM 1448 CA GLU A 93 0.694 -4.336 -8.457 1.00 0.00 C ATOM 1449 C GLU A 93 1.748 -5.140 -7.717 1.00 0.00 C ATOM 1450 O GLU A 93 2.048 -6.269 -8.086 1.00 0.00 O ATOM 1451 CB GLU A 93 1.366 -3.162 -9.168 1.00 0.00 C ATOM 1452 CG GLU A 93 2.364 -3.594 -10.222 1.00 0.00 C ATOM 1453 CD GLU A 93 3.084 -2.425 -10.856 1.00 0.00 C ATOM 1454 OE1 GLU A 93 2.470 -1.720 -11.679 1.00 0.00 O ATOM 1455 OE2 GLU A 93 4.268 -2.205 -10.528 1.00 0.00 O ATOM 0 H GLU A 93 -0.426 -2.849 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 93 0.203 -4.966 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.600 -2.542 -9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.873 -2.541 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.095 -4.265 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.847 -4.160 -10.996 1.00 0.00 H new ATOM 1462 N LEU A 94 2.280 -4.545 -6.654 1.00 0.00 N ATOM 1463 CA LEU A 94 3.322 -5.169 -5.841 1.00 0.00 C ATOM 1464 C LEU A 94 2.895 -6.572 -5.404 1.00 0.00 C ATOM 1465 O LEU A 94 3.660 -7.524 -5.529 1.00 0.00 O ATOM 1466 CB LEU A 94 3.633 -4.273 -4.624 1.00 0.00 C ATOM 1467 CG LEU A 94 4.889 -4.627 -3.807 1.00 0.00 C ATOM 1468 CD1 LEU A 94 4.639 -5.811 -2.885 1.00 0.00 C ATOM 1469 CD2 LEU A 94 6.064 -4.914 -4.731 1.00 0.00 C ATOM 0 H LEU A 94 2.003 -3.618 -6.331 1.00 0.00 H new ATOM 0 HA LEU A 94 4.229 -5.273 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.734 -3.246 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.773 -4.298 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 94 5.132 -3.765 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.547 -6.033 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.834 -5.568 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.357 -6.681 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.943 -5.162 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.818 -5.753 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.274 -4.033 -5.337 1.00 0.00 H new ATOM 1481 N ILE A 95 1.662 -6.688 -4.926 1.00 0.00 N ATOM 1482 CA ILE A 95 1.127 -7.961 -4.447 1.00 0.00 C ATOM 1483 C ILE A 95 1.223 -9.051 -5.518 1.00 0.00 C ATOM 1484 O ILE A 95 1.769 -10.128 -5.271 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.346 -7.808 -4.001 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.443 -6.814 -2.839 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.936 -9.157 -3.601 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.861 -6.531 -2.393 1.00 0.00 C ATOM 0 H ILE A 95 1.007 -5.909 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 95 1.733 -8.260 -3.592 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.923 -7.424 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.123 -7.203 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.029 -5.877 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.972 -9.023 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.896 -9.838 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.361 -9.575 -2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.848 -5.819 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.427 -6.112 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.331 -7.458 -2.065 1.00 0.00 H new ATOM 1500 N VAL A 96 0.709 -8.759 -6.705 1.00 0.00 N ATOM 1501 CA VAL A 96 0.702 -9.728 -7.798 1.00 0.00 C ATOM 1502 C VAL A 96 2.100 -9.900 -8.391 1.00 0.00 C ATOM 1503 O VAL A 96 2.547 -11.017 -8.657 1.00 0.00 O ATOM 1504 CB VAL A 96 -0.271 -9.297 -8.919 1.00 0.00 C ATOM 1505 CG1 VAL A 96 -0.339 -10.351 -10.017 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.653 -9.024 -8.350 1.00 0.00 C ATOM 0 H VAL A 96 0.290 -7.858 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 96 0.370 -10.678 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 96 0.107 -8.375 -9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.030 -10.023 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.652 -10.491 -10.449 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.687 -11.294 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.324 -8.722 -9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.037 -9.928 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.591 -8.226 -7.610 1.00 0.00 H new ATOM 1516 N ASN A 97 2.782 -8.783 -8.581 1.00 0.00 N ATOM 1517 CA ASN A 97 4.082 -8.749 -9.228 1.00 0.00 C ATOM 1518 C ASN A 97 5.132 -9.518 -8.426 1.00 0.00 C ATOM 1519 O ASN A 97 5.899 -10.305 -8.985 1.00 0.00 O ATOM 1520 CB ASN A 97 4.479 -7.284 -9.391 1.00 0.00 C ATOM 1521 CG ASN A 97 5.739 -7.063 -10.184 1.00 0.00 C ATOM 1522 OD1 ASN A 97 6.110 -7.861 -11.045 1.00 0.00 O ATOM 1523 ND2 ASN A 97 6.387 -5.944 -9.919 1.00 0.00 N ATOM 0 H ASN A 97 2.445 -7.866 -8.288 1.00 0.00 H new ATOM 0 HA ASN A 97 4.024 -9.237 -10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.661 -6.751 -9.876 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.605 -6.843 -8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.234 -5.710 -10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.041 -5.313 -9.196 1.00 0.00 H new ATOM 1530 N ALA A 98 5.140 -9.318 -7.115 1.00 0.00 N ATOM 1531 CA ALA A 98 6.130 -9.952 -6.252 1.00 0.00 C ATOM 1532 C ALA A 98 5.829 -11.433 -6.048 1.00 0.00 C ATOM 1533 O ALA A 98 6.692 -12.194 -5.610 1.00 0.00 O ATOM 1534 CB ALA A 98 6.200 -9.236 -4.912 1.00 0.00 C ATOM 0 H ALA A 98 4.473 -8.722 -6.625 1.00 0.00 H new ATOM 0 HA ALA A 98 7.099 -9.875 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.943 -9.721 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.481 -8.195 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.226 -9.279 -4.425 1.00 0.00 H new ATOM 1540 N ALA A 99 4.613 -11.845 -6.379 1.00 0.00 N ATOM 1541 CA ALA A 99 4.199 -13.230 -6.201 1.00 0.00 C ATOM 1542 C ALA A 99 4.947 -14.162 -7.151 1.00 0.00 C ATOM 1543 O ALA A 99 5.202 -15.318 -6.824 1.00 0.00 O ATOM 1544 CB ALA A 99 2.696 -13.363 -6.396 1.00 0.00 C ATOM 0 H ALA A 99 3.894 -11.238 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 99 4.449 -13.525 -5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.402 -14.404 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.178 -12.741 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.430 -13.040 -7.402 1.00 0.00 H new ATOM 1550 N LYS A 100 5.303 -13.651 -8.323 1.00 0.00 N ATOM 1551 CA LYS A 100 5.993 -14.457 -9.329 1.00 0.00 C ATOM 1552 C LYS A 100 7.507 -14.348 -9.194 1.00 0.00 C ATOM 1553 O LYS A 100 8.250 -15.111 -9.810 1.00 0.00 O ATOM 1554 CB LYS A 100 5.593 -14.037 -10.748 1.00 0.00 C ATOM 1555 CG LYS A 100 4.194 -14.460 -11.176 1.00 0.00 C ATOM 1556 CD LYS A 100 3.120 -13.556 -10.599 1.00 0.00 C ATOM 1557 CE LYS A 100 1.745 -13.895 -11.157 1.00 0.00 C ATOM 1558 NZ LYS A 100 1.709 -13.836 -12.647 1.00 0.00 N ATOM 0 H LYS A 100 5.127 -12.686 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 100 5.693 -15.491 -9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.667 -12.952 -10.824 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.313 -14.455 -11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.130 -14.449 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.013 -15.486 -10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.107 -13.652 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.359 -12.517 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.458 -14.894 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.009 -13.202 -10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.722 -13.769 -12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.237 -13.002 -12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.143 -14.696 -13.039 1.00 0.00 H new ATOM 1572 N LEU A 101 7.958 -13.407 -8.386 1.00 0.00 N ATOM 1573 CA LEU A 101 9.373 -13.113 -8.279 1.00 0.00 C ATOM 1574 C LEU A 101 10.110 -14.150 -7.436 1.00 0.00 C ATOM 1575 O LEU A 101 10.014 -14.156 -6.209 1.00 0.00 O ATOM 1576 CB LEU A 101 9.569 -11.722 -7.676 1.00 0.00 C ATOM 1577 CG LEU A 101 9.120 -10.553 -8.554 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.352 -9.232 -7.836 1.00 0.00 C ATOM 1579 CD2 LEU A 101 9.855 -10.572 -9.884 1.00 0.00 C ATOM 0 H LEU A 101 7.361 -12.831 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 101 9.794 -13.145 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.025 -11.674 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.626 -11.593 -7.442 1.00 0.00 H new ATOM 0 HG LEU A 101 8.053 -10.658 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.028 -8.410 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.782 -9.218 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.413 -9.121 -7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.523 -9.733 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.928 -10.490 -9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.643 -11.506 -10.404 1.00 0.00 H new ATOM 1591 N GLU A 102 10.837 -15.031 -8.109 1.00 0.00 N ATOM 1592 CA GLU A 102 11.775 -15.921 -7.442 1.00 0.00 C ATOM 1593 C GLU A 102 13.201 -15.490 -7.767 1.00 0.00 C ATOM 1594 O GLU A 102 14.133 -15.705 -6.989 1.00 0.00 O ATOM 1595 CB GLU A 102 11.519 -17.390 -7.826 1.00 0.00 C ATOM 1596 CG GLU A 102 11.024 -17.610 -9.254 1.00 0.00 C ATOM 1597 CD GLU A 102 12.039 -17.223 -10.306 1.00 0.00 C ATOM 1598 OE1 GLU A 102 12.962 -18.022 -10.573 1.00 0.00 O ATOM 1599 OE2 GLU A 102 11.932 -16.110 -10.858 1.00 0.00 O ATOM 0 H GLU A 102 10.794 -15.148 -9.121 1.00 0.00 H new ATOM 0 HA GLU A 102 11.630 -15.851 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.443 -17.952 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.786 -17.807 -7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.761 -18.660 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.113 -17.032 -9.408 1.00 0.00 H new ATOM 1606 N HIS A 103 13.356 -14.883 -8.937 1.00 0.00 N ATOM 1607 CA HIS A 103 14.599 -14.243 -9.331 1.00 0.00 C ATOM 1608 C HIS A 103 14.682 -12.855 -8.719 1.00 0.00 C ATOM 1609 O HIS A 103 14.370 -11.859 -9.373 1.00 0.00 O ATOM 1610 CB HIS A 103 14.692 -14.130 -10.854 1.00 0.00 C ATOM 1611 CG HIS A 103 15.419 -15.252 -11.527 1.00 0.00 C ATOM 1612 ND1 HIS A 103 14.843 -16.472 -11.805 1.00 0.00 N ATOM 1613 CD2 HIS A 103 16.678 -15.315 -12.016 1.00 0.00 C ATOM 1614 CE1 HIS A 103 15.716 -17.236 -12.435 1.00 0.00 C ATOM 1615 NE2 HIS A 103 16.838 -16.556 -12.576 1.00 0.00 N ATOM 0 H HIS A 103 12.619 -14.822 -9.640 1.00 0.00 H new ATOM 0 HA HIS A 103 15.427 -14.854 -8.972 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.683 -14.074 -11.262 1.00 0.00 H new ATOM 0 HB3 HIS A 103 15.189 -13.193 -11.104 1.00 0.00 H new ATOM 0 HD1 HIS A 103 13.890 -16.743 -11.562 1.00 0.00 H new ATOM 0 HD2 HIS A 103 17.421 -14.532 -11.973 1.00 0.00 H new ATOM 0 HE1 HIS A 103 15.542 -18.246 -12.777 1.00 0.00 H new ATOM 1624 N HIS A 104 15.065 -12.787 -7.455 1.00 0.00 N ATOM 1625 CA HIS A 104 15.194 -11.505 -6.784 1.00 0.00 C ATOM 1626 C HIS A 104 16.534 -10.858 -7.114 1.00 0.00 C ATOM 1627 O HIS A 104 17.587 -11.276 -6.627 1.00 0.00 O ATOM 1628 CB HIS A 104 15.001 -11.633 -5.260 1.00 0.00 C ATOM 1629 CG HIS A 104 15.903 -12.620 -4.583 1.00 0.00 C ATOM 1630 ND1 HIS A 104 17.129 -12.279 -4.053 1.00 0.00 N ATOM 1631 CD2 HIS A 104 15.738 -13.939 -4.324 1.00 0.00 C ATOM 1632 CE1 HIS A 104 17.677 -13.345 -3.504 1.00 0.00 C ATOM 1633 NE2 HIS A 104 16.857 -14.368 -3.654 1.00 0.00 N ATOM 0 H HIS A 104 15.290 -13.597 -6.877 1.00 0.00 H new ATOM 0 HA HIS A 104 14.399 -10.858 -7.155 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.155 -10.654 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 104 13.967 -11.916 -5.063 1.00 0.00 H new ATOM 0 HD2 HIS A 104 14.884 -14.542 -4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.638 -13.376 -3.013 1.00 0.00 H new ATOM 0 HE2 HIS A 104 17.026 -15.319 -3.327 1.00 0.00 H new ATOM 1642 N HIS A 105 16.489 -9.859 -7.976 1.00 0.00 N ATOM 1643 CA HIS A 105 17.682 -9.106 -8.329 1.00 0.00 C ATOM 1644 C HIS A 105 18.024 -8.161 -7.196 1.00 0.00 C ATOM 1645 O HIS A 105 17.133 -7.538 -6.614 1.00 0.00 O ATOM 1646 CB HIS A 105 17.473 -8.313 -9.627 1.00 0.00 C ATOM 1647 CG HIS A 105 17.394 -9.161 -10.862 1.00 0.00 C ATOM 1648 ND1 HIS A 105 18.347 -9.129 -11.860 1.00 0.00 N ATOM 1649 CD2 HIS A 105 16.464 -10.058 -11.267 1.00 0.00 C ATOM 1650 CE1 HIS A 105 18.007 -9.968 -12.819 1.00 0.00 C ATOM 1651 NE2 HIS A 105 16.868 -10.544 -12.484 1.00 0.00 N ATOM 0 H HIS A 105 15.639 -9.549 -8.446 1.00 0.00 H new ATOM 0 HA HIS A 105 18.502 -9.805 -8.492 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.555 -7.732 -9.540 1.00 0.00 H new ATOM 0 HB3 HIS A 105 18.291 -7.602 -9.740 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.570 -10.339 -10.731 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.566 -10.152 -13.725 1.00 0.00 H new ATOM 0 HE2 HIS A 105 16.369 -11.238 -13.040 1.00 0.00 H new ATOM 1660 N HIS A 106 19.300 -8.080 -6.851 1.00 0.00 N ATOM 1661 CA HIS A 106 19.736 -7.155 -5.815 1.00 0.00 C ATOM 1662 C HIS A 106 19.707 -5.722 -6.346 1.00 0.00 C ATOM 1663 O HIS A 106 20.725 -5.168 -6.774 1.00 0.00 O ATOM 1664 CB HIS A 106 21.117 -7.539 -5.244 1.00 0.00 C ATOM 1665 CG HIS A 106 22.247 -7.592 -6.232 1.00 0.00 C ATOM 1666 ND1 HIS A 106 23.486 -7.047 -5.970 1.00 0.00 N ATOM 1667 CD2 HIS A 106 22.340 -8.158 -7.456 1.00 0.00 C ATOM 1668 CE1 HIS A 106 24.289 -7.277 -6.993 1.00 0.00 C ATOM 1669 NE2 HIS A 106 23.616 -7.948 -7.907 1.00 0.00 N ATOM 0 H HIS A 106 20.046 -8.637 -7.268 1.00 0.00 H new ATOM 0 HA HIS A 106 19.038 -7.219 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 106 21.377 -6.824 -4.463 1.00 0.00 H new ATOM 0 HB3 HIS A 106 21.032 -8.515 -4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 106 21.553 -8.679 -7.981 1.00 0.00 H new ATOM 0 HE1 HIS A 106 25.321 -6.968 -7.068 1.00 0.00 H new ATOM 0 HE2 HIS A 106 23.986 -8.260 -8.805 1.00 0.00 H new ATOM 1678 N HIS A 107 18.499 -5.161 -6.338 1.00 0.00 N ATOM 1679 CA HIS A 107 18.210 -3.847 -6.910 1.00 0.00 C ATOM 1680 C HIS A 107 18.390 -3.894 -8.427 1.00 0.00 C ATOM 1681 O HIS A 107 17.448 -4.205 -9.148 1.00 0.00 O ATOM 1682 CB HIS A 107 19.082 -2.754 -6.279 1.00 0.00 C ATOM 1683 CG HIS A 107 18.509 -1.374 -6.402 1.00 0.00 C ATOM 1684 ND1 HIS A 107 19.215 -0.303 -6.902 1.00 0.00 N ATOM 1685 CD2 HIS A 107 17.291 -0.889 -6.058 1.00 0.00 C ATOM 1686 CE1 HIS A 107 18.460 0.779 -6.860 1.00 0.00 C ATOM 1687 NE2 HIS A 107 17.286 0.449 -6.355 1.00 0.00 N ATOM 0 H HIS A 107 17.682 -5.613 -5.928 1.00 0.00 H new ATOM 0 HA HIS A 107 17.174 -3.593 -6.687 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.228 -2.984 -5.223 1.00 0.00 H new ATOM 0 HB3 HIS A 107 20.066 -2.772 -6.748 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.475 -1.452 -5.629 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.753 1.767 -7.184 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.503 1.086 -6.209 1.00 0.00 H new ATOM 1696 N HIS A 108 19.603 -3.601 -8.891 1.00 0.00 N ATOM 1697 CA HIS A 108 19.974 -3.723 -10.303 1.00 0.00 C ATOM 1698 C HIS A 108 21.375 -3.174 -10.502 1.00 0.00 C ATOM 1699 O HIS A 108 21.836 -3.108 -11.656 1.00 0.00 O ATOM 1700 CB HIS A 108 18.983 -3.007 -11.251 1.00 0.00 C ATOM 1701 CG HIS A 108 18.750 -1.555 -10.957 1.00 0.00 C ATOM 1702 ND1 HIS A 108 17.491 -0.994 -10.921 1.00 0.00 N ATOM 1703 CD2 HIS A 108 19.612 -0.542 -10.703 1.00 0.00 C ATOM 1704 CE1 HIS A 108 17.591 0.293 -10.659 1.00 0.00 C ATOM 1705 NE2 HIS A 108 18.865 0.593 -10.523 1.00 0.00 N ATOM 1706 OXT HIS A 108 22.003 -2.792 -9.491 1.00 0.00 O ATOM 0 H HIS A 108 20.362 -3.270 -8.296 1.00 0.00 H new ATOM 0 HA HIS A 108 19.940 -4.782 -10.560 1.00 0.00 H new ATOM 0 HB2 HIS A 108 19.352 -3.099 -12.272 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.026 -3.527 -11.210 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.688 -0.615 -10.652 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.767 0.985 -10.571 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.237 1.520 -10.317 1.00 0.00 H new TER 1715 HIS A 108