USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1075 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 126 HIS : no HD1:sc= -2.62 X(o=-6.2,f=-6) USER MOD Set 1.2: A 130 ASN : amide:sc= -3.56 K(o=-6.2,f=-16!) USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0.737 USER MOD Set 2.2: A 81 THR OG1 : rot -56:sc= 1.17 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0843 (180deg=-0.469) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0.064 (180deg=0.0505) USER MOD Single : A 14 ASN : amide:sc= -1.69 K(o=-1.7,f=-4.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -1.15 USER MOD Single : A 26 THR OG1 : rot -109:sc= 1.16 USER MOD Single : A 27 SER OG : rot -32:sc= 0.975 USER MOD Single : A 35 MET CE :methyl -167:sc= -0.111 (180deg=-0.597) USER MOD Single : A 37 ASN : amide:sc= -4.2! C(o=-4.2!,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 122:sc= 0.00699 USER MOD Single : A 45 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.17) USER MOD Single : A 46 HIS : no HE2:sc= -0.169 K(o=-0.17,f=-1) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -90:sc= 1.19 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot -130:sc= -1.87 USER MOD Single : A 59 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -65:sc= 0.123 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.12 K(o=-0.12,f=-2!) USER MOD Single : A 91 THR OG1 : rot 101:sc= 0.688 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.828 USER MOD Single : A 97 HIS : no HE2:sc= -2.78! C(o=-2.8!,f=-3.5!) USER MOD Single : A 98 SER OG : rot 180:sc=-0.00782 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -1.42 X(o=-1.4,f=-0.99) USER MOD Single : A 105 THR OG1 : rot -170:sc= 0.074 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= -0.443 USER MOD Single : A 118 HIS : no HD1:sc= -1.81! K(o=-1.8!,f=-0.065) USER MOD Single : A 121 MET CE :methyl -177:sc= 0 (180deg=-0.0156) USER MOD Single : A 135 GLN : amide:sc=-0.00913 X(o=-0.0091,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.894 13.452 -20.423 1.00 0.00 N ATOM 2 CA MET A 1 -11.464 14.694 -19.801 1.00 0.00 C ATOM 3 C MET A 1 -10.119 14.517 -19.095 1.00 0.00 C ATOM 4 O MET A 1 -9.582 13.411 -19.042 1.00 0.00 O ATOM 5 CB MET A 1 -12.517 15.148 -18.788 1.00 0.00 C ATOM 6 CG MET A 1 -13.587 16.012 -19.459 1.00 0.00 C ATOM 7 SD MET A 1 -15.043 16.089 -18.428 1.00 0.00 S ATOM 8 CE MET A 1 -15.310 17.854 -18.402 1.00 0.00 C ATOM 0 H1 MET A 1 -12.032 13.604 -21.443 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.169 12.721 -20.277 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.790 13.141 -19.995 1.00 0.00 H new ATOM 0 HA MET A 1 -11.347 15.447 -20.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.984 14.277 -18.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.038 15.712 -17.988 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.200 17.016 -19.632 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.843 15.597 -20.434 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.188 18.080 -17.797 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.437 18.348 -17.974 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.468 18.213 -19.419 1.00 0.00 H new ATOM 18 N THR A 2 -9.611 15.623 -18.571 1.00 0.00 N ATOM 19 CA THR A 2 -8.338 15.604 -17.871 1.00 0.00 C ATOM 20 C THR A 2 -8.234 14.360 -16.987 1.00 0.00 C ATOM 21 O THR A 2 -8.910 14.262 -15.964 1.00 0.00 O ATOM 22 CB THR A 2 -8.208 16.915 -17.093 1.00 0.00 C ATOM 23 OG1 THR A 2 -6.953 16.800 -16.428 1.00 0.00 O ATOM 24 CG2 THR A 2 -9.224 17.024 -15.954 1.00 0.00 C ATOM 0 H THR A 2 -10.058 16.538 -18.617 1.00 0.00 H new ATOM 0 HA THR A 2 -7.503 15.539 -18.569 1.00 0.00 H new ATOM 0 HB THR A 2 -8.336 17.756 -17.775 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.787 17.609 -15.900 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.088 17.973 -15.435 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.234 16.975 -16.361 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.075 16.202 -15.253 1.00 0.00 H new ATOM 32 N ARG A 3 -7.382 13.440 -17.414 1.00 0.00 N ATOM 33 CA ARG A 3 -7.181 12.205 -16.675 1.00 0.00 C ATOM 34 C ARG A 3 -6.919 12.508 -15.198 1.00 0.00 C ATOM 35 O ARG A 3 -6.643 13.651 -14.834 1.00 0.00 O ATOM 36 CB ARG A 3 -6.003 11.410 -17.241 1.00 0.00 C ATOM 37 CG ARG A 3 -6.488 10.142 -17.947 1.00 0.00 C ATOM 38 CD ARG A 3 -5.583 8.952 -17.620 1.00 0.00 C ATOM 39 NE ARG A 3 -4.847 8.527 -18.832 1.00 0.00 N ATOM 40 CZ ARG A 3 -4.149 7.387 -18.925 1.00 0.00 C ATOM 41 NH1 ARG A 3 -4.086 6.552 -17.879 1.00 0.00 N ATOM 42 NH2 ARG A 3 -3.512 7.083 -20.065 1.00 0.00 N ATOM 0 H ARG A 3 -6.823 13.525 -18.263 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.088 11.608 -16.773 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.444 12.030 -17.942 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.319 11.143 -16.436 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.511 9.920 -17.642 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.505 10.305 -19.025 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.879 9.225 -16.834 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.181 8.124 -17.239 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.873 9.140 -19.647 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.570 6.784 -17.011 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.555 5.684 -17.950 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.559 7.719 -20.861 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.980 6.215 -20.136 1.00 0.00 H new ATOM 56 N LEU A 4 -7.015 11.465 -14.387 1.00 0.00 N ATOM 57 CA LEU A 4 -6.792 11.605 -12.958 1.00 0.00 C ATOM 58 C LEU A 4 -5.298 11.452 -12.662 1.00 0.00 C ATOM 59 O LEU A 4 -4.601 10.702 -13.342 1.00 0.00 O ATOM 60 CB LEU A 4 -7.676 10.629 -12.180 1.00 0.00 C ATOM 61 CG LEU A 4 -9.165 10.648 -12.529 1.00 0.00 C ATOM 62 CD1 LEU A 4 -9.796 9.270 -12.320 1.00 0.00 C ATOM 63 CD2 LEU A 4 -9.898 11.739 -11.744 1.00 0.00 C ATOM 0 H LEU A 4 -7.244 10.519 -14.692 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.084 12.600 -12.622 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.298 9.619 -12.342 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.570 10.842 -11.116 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.264 10.890 -13.587 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.855 9.312 -12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.297 8.541 -12.959 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.686 8.974 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.955 11.731 -12.011 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.792 11.552 -10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.470 12.712 -11.986 1.00 0.00 H new ATOM 75 N PRO A 5 -4.840 12.196 -11.619 1.00 0.00 N ATOM 76 CA PRO A 5 -3.443 12.150 -11.224 1.00 0.00 C ATOM 77 C PRO A 5 -3.124 10.850 -10.483 1.00 0.00 C ATOM 78 O PRO A 5 -3.997 10.000 -10.310 1.00 0.00 O ATOM 79 CB PRO A 5 -3.235 13.389 -10.368 1.00 0.00 C ATOM 80 CG PRO A 5 -4.622 13.831 -9.932 1.00 0.00 C ATOM 81 CD PRO A 5 -5.638 13.096 -10.791 1.00 0.00 C ATOM 0 HA PRO A 5 -2.765 12.153 -12.077 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.607 13.167 -9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.734 14.175 -10.933 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.780 13.606 -8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.733 14.909 -10.048 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.350 12.543 -10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.215 13.789 -11.402 1.00 0.00 H new ATOM 89 N ASP A 6 -1.873 10.737 -10.064 1.00 0.00 N ATOM 90 CA ASP A 6 -1.428 9.555 -9.345 1.00 0.00 C ATOM 91 C ASP A 6 -1.707 9.737 -7.851 1.00 0.00 C ATOM 92 O ASP A 6 -1.542 10.832 -7.314 1.00 0.00 O ATOM 93 CB ASP A 6 0.075 9.335 -9.522 1.00 0.00 C ATOM 94 CG ASP A 6 0.922 10.610 -9.499 1.00 0.00 C ATOM 95 OD1 ASP A 6 1.033 11.198 -8.403 1.00 0.00 O ATOM 96 OD2 ASP A 6 1.440 10.966 -10.580 1.00 0.00 O ATOM 0 H ASP A 6 -1.153 11.445 -10.208 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.967 8.695 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.425 8.670 -8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.243 8.822 -10.469 1.00 0.00 H new ATOM 101 N ILE A 7 -2.125 8.648 -7.223 1.00 0.00 N ATOM 102 CA ILE A 7 -2.428 8.674 -5.802 1.00 0.00 C ATOM 103 C ILE A 7 -1.140 8.455 -5.006 1.00 0.00 C ATOM 104 O ILE A 7 -0.965 7.412 -4.377 1.00 0.00 O ATOM 105 CB ILE A 7 -3.533 7.670 -5.471 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.820 8.001 -6.230 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.764 7.585 -3.961 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.812 6.839 -6.162 1.00 0.00 C ATOM 0 H ILE A 7 -2.261 7.742 -7.672 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.819 9.650 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.208 6.684 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.275 8.897 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.585 8.223 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.555 6.864 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.845 7.266 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.057 8.564 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.717 7.101 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.363 5.951 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.063 6.636 -5.121 1.00 0.00 H new ATOM 120 N LYS A 8 -0.271 9.454 -5.060 1.00 0.00 N ATOM 121 CA LYS A 8 0.996 9.383 -4.351 1.00 0.00 C ATOM 122 C LYS A 8 0.847 10.048 -2.981 1.00 0.00 C ATOM 123 O LYS A 8 0.476 11.217 -2.892 1.00 0.00 O ATOM 124 CB LYS A 8 2.120 9.975 -5.204 1.00 0.00 C ATOM 125 CG LYS A 8 3.332 10.332 -4.341 1.00 0.00 C ATOM 126 CD LYS A 8 4.459 10.919 -5.194 1.00 0.00 C ATOM 127 CE LYS A 8 5.347 11.848 -4.365 1.00 0.00 C ATOM 128 NZ LYS A 8 6.753 11.765 -4.821 1.00 0.00 N ATOM 0 H LYS A 8 -0.419 10.317 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 8 1.276 8.345 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.414 9.260 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.760 10.866 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.039 11.050 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.689 9.442 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.061 10.112 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.035 11.469 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.990 12.874 -4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.284 11.576 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.342 12.402 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.095 10.789 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.811 12.046 -5.821 1.00 0.00 H new ATOM 142 N LYS A 9 1.145 9.274 -1.948 1.00 0.00 N ATOM 143 CA LYS A 9 1.049 9.773 -0.587 1.00 0.00 C ATOM 144 C LYS A 9 2.332 9.426 0.171 1.00 0.00 C ATOM 145 O LYS A 9 3.130 8.612 -0.293 1.00 0.00 O ATOM 146 CB LYS A 9 -0.222 9.253 0.086 1.00 0.00 C ATOM 147 CG LYS A 9 -1.465 9.634 -0.720 1.00 0.00 C ATOM 148 CD LYS A 9 -2.347 10.610 0.061 1.00 0.00 C ATOM 149 CE LYS A 9 -3.740 10.711 -0.564 1.00 0.00 C ATOM 150 NZ LYS A 9 -4.584 11.658 0.200 1.00 0.00 N ATOM 0 H LYS A 9 1.453 8.305 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 9 0.961 10.859 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.167 8.169 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.298 9.662 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.165 10.086 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.035 8.737 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.432 10.280 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.880 11.595 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.657 11.042 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.210 9.728 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.568 11.589 -0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.540 11.423 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.237 12.628 0.054 1.00 0.00 H new ATOM 164 N GLU A 10 2.492 10.060 1.323 1.00 0.00 N ATOM 165 CA GLU A 10 3.664 9.829 2.149 1.00 0.00 C ATOM 166 C GLU A 10 3.311 9.990 3.629 1.00 0.00 C ATOM 167 O GLU A 10 2.422 10.765 3.978 1.00 0.00 O ATOM 168 CB GLU A 10 4.808 10.765 1.753 1.00 0.00 C ATOM 169 CG GLU A 10 6.104 10.381 2.469 1.00 0.00 C ATOM 170 CD GLU A 10 6.373 11.311 3.653 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.619 12.508 3.390 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.326 10.804 4.795 1.00 0.00 O ATOM 0 H GLU A 10 1.828 10.734 1.704 1.00 0.00 H new ATOM 0 HA GLU A 10 4.003 8.806 1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.959 10.725 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.543 11.793 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.039 9.351 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.938 10.428 1.769 1.00 0.00 H new ATOM 179 N VAL A 11 4.026 9.245 4.459 1.00 0.00 N ATOM 180 CA VAL A 11 3.799 9.295 5.893 1.00 0.00 C ATOM 181 C VAL A 11 5.124 9.063 6.623 1.00 0.00 C ATOM 182 O VAL A 11 6.053 8.484 6.062 1.00 0.00 O ATOM 183 CB VAL A 11 2.715 8.290 6.288 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.322 8.910 6.161 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.824 7.011 5.455 1.00 0.00 C ATOM 0 H VAL A 11 4.763 8.603 4.166 1.00 0.00 H new ATOM 0 HA VAL A 11 3.433 10.279 6.187 1.00 0.00 H new ATOM 0 HB VAL A 11 2.869 8.023 7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.569 8.175 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.249 9.778 6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.154 9.218 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.042 6.313 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.707 7.254 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.800 6.554 5.617 1.00 0.00 H new ATOM 195 N ARG A 12 5.168 9.526 7.864 1.00 0.00 N ATOM 196 CA ARG A 12 6.364 9.376 8.676 1.00 0.00 C ATOM 197 C ARG A 12 6.018 8.713 10.012 1.00 0.00 C ATOM 198 O ARG A 12 5.275 9.277 10.814 1.00 0.00 O ATOM 199 CB ARG A 12 7.023 10.730 8.942 1.00 0.00 C ATOM 200 CG ARG A 12 8.298 10.566 9.772 1.00 0.00 C ATOM 201 CD ARG A 12 8.569 11.815 10.614 1.00 0.00 C ATOM 202 NE ARG A 12 8.901 11.425 12.003 1.00 0.00 N ATOM 203 CZ ARG A 12 8.033 10.860 12.853 1.00 0.00 C ATOM 204 NH1 ARG A 12 6.775 10.615 12.462 1.00 0.00 N ATOM 205 NH2 ARG A 12 8.423 10.541 14.095 1.00 0.00 N ATOM 0 H ARG A 12 4.395 10.005 8.327 1.00 0.00 H new ATOM 0 HA ARG A 12 7.063 8.748 8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.261 11.215 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.324 11.382 9.467 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.203 9.697 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.144 10.378 9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.391 12.385 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.694 12.464 10.609 1.00 0.00 H new ATOM 0 HE ARG A 12 9.850 11.597 12.334 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.478 10.859 11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.114 10.185 13.109 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.380 10.728 14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.762 10.111 14.742 1.00 0.00 H new ATOM 219 N PHE A 13 6.573 7.527 10.208 1.00 0.00 N ATOM 220 CA PHE A 13 6.333 6.782 11.433 1.00 0.00 C ATOM 221 C PHE A 13 7.624 6.617 12.237 1.00 0.00 C ATOM 222 O PHE A 13 8.704 6.482 11.663 1.00 0.00 O ATOM 223 CB PHE A 13 5.822 5.399 11.022 1.00 0.00 C ATOM 224 CG PHE A 13 4.617 5.436 10.080 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.642 6.367 10.258 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.521 4.536 9.064 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.524 6.401 9.383 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.403 4.570 8.189 1.00 0.00 C ATOM 229 CZ PHE A 13 2.428 5.502 8.367 1.00 0.00 C ATOM 0 H PHE A 13 7.188 7.063 9.540 1.00 0.00 H new ATOM 0 HA PHE A 13 5.614 7.313 12.057 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.632 4.853 10.538 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.552 4.841 11.919 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.718 7.081 11.065 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.295 3.796 8.923 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.750 7.141 9.524 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.327 3.856 7.382 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.578 5.528 7.702 1.00 0.00 H new ATOM 239 N ASN A 14 7.470 6.634 13.552 1.00 0.00 N ATOM 240 CA ASN A 14 8.611 6.488 14.441 1.00 0.00 C ATOM 241 C ASN A 14 8.811 5.007 14.769 1.00 0.00 C ATOM 242 O ASN A 14 8.008 4.413 15.487 1.00 0.00 O ATOM 243 CB ASN A 14 8.384 7.237 15.756 1.00 0.00 C ATOM 244 CG ASN A 14 9.427 8.340 15.946 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.349 8.500 15.164 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.231 9.089 17.028 1.00 0.00 N ATOM 0 H ASN A 14 6.573 6.747 14.024 1.00 0.00 H new ATOM 0 HA ASN A 14 9.485 6.900 13.937 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.384 7.672 15.763 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.433 6.537 16.590 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.874 9.851 17.244 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.438 8.901 17.642 1.00 0.00 H new ATOM 253 N ALA A 15 9.885 4.454 14.226 1.00 0.00 N ATOM 254 CA ALA A 15 10.201 3.054 14.451 1.00 0.00 C ATOM 255 C ALA A 15 11.384 2.653 13.568 1.00 0.00 C ATOM 256 O ALA A 15 11.774 3.399 12.671 1.00 0.00 O ATOM 257 CB ALA A 15 8.959 2.201 14.184 1.00 0.00 C ATOM 0 H ALA A 15 10.548 4.950 13.630 1.00 0.00 H new ATOM 0 HA ALA A 15 10.494 2.889 15.488 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.196 1.151 14.353 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.157 2.505 14.857 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.638 2.339 13.152 1.00 0.00 H new ATOM 263 N PRO A 16 11.936 1.445 13.860 1.00 0.00 N ATOM 264 CA PRO A 16 13.067 0.937 13.102 1.00 0.00 C ATOM 265 C PRO A 16 12.625 0.440 11.724 1.00 0.00 C ATOM 266 O PRO A 16 11.754 -0.422 11.621 1.00 0.00 O ATOM 267 CB PRO A 16 13.658 -0.164 13.968 1.00 0.00 C ATOM 268 CG PRO A 16 12.569 -0.545 14.958 1.00 0.00 C ATOM 269 CD PRO A 16 11.501 0.535 14.915 1.00 0.00 C ATOM 0 HA PRO A 16 13.812 1.705 12.893 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.953 -1.021 13.363 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.552 0.184 14.485 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.142 -1.514 14.701 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.981 -0.634 15.963 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.520 0.113 14.695 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.419 1.049 15.873 1.00 0.00 H new ATOM 277 N ILE A 17 13.246 1.006 10.699 1.00 0.00 N ATOM 278 CA ILE A 17 12.927 0.631 9.332 1.00 0.00 C ATOM 279 C ILE A 17 12.975 -0.892 9.201 1.00 0.00 C ATOM 280 O ILE A 17 12.280 -1.469 8.365 1.00 0.00 O ATOM 281 CB ILE A 17 13.843 1.363 8.349 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.476 1.026 6.902 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.315 1.070 8.650 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.954 2.120 5.946 1.00 0.00 C ATOM 0 H ILE A 17 13.968 1.721 10.788 1.00 0.00 H new ATOM 0 HA ILE A 17 11.913 0.940 9.078 1.00 0.00 H new ATOM 0 HB ILE A 17 13.695 2.435 8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.924 0.072 6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.396 0.909 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.945 1.602 7.937 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.552 1.400 9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.497 -0.001 8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.680 1.856 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.486 3.067 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.037 2.218 6.018 1.00 0.00 H new ATOM 296 N GLU A 18 13.802 -1.501 10.038 1.00 0.00 N ATOM 297 CA GLU A 18 13.950 -2.946 10.026 1.00 0.00 C ATOM 298 C GLU A 18 12.612 -3.619 10.339 1.00 0.00 C ATOM 299 O GLU A 18 12.374 -4.755 9.931 1.00 0.00 O ATOM 300 CB GLU A 18 15.033 -3.395 11.009 1.00 0.00 C ATOM 301 CG GLU A 18 15.933 -4.462 10.383 1.00 0.00 C ATOM 302 CD GLU A 18 15.519 -5.863 10.838 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.634 -6.122 12.055 1.00 0.00 O ATOM 304 OE2 GLU A 18 15.097 -6.644 9.958 1.00 0.00 O ATOM 0 H GLU A 18 14.377 -1.019 10.729 1.00 0.00 H new ATOM 0 HA GLU A 18 14.263 -3.251 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.635 -2.537 11.309 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.568 -3.790 11.912 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.878 -4.397 9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.970 -4.277 10.661 1.00 0.00 H new ATOM 311 N LYS A 19 11.774 -2.890 11.062 1.00 0.00 N ATOM 312 CA LYS A 19 10.467 -3.402 11.435 1.00 0.00 C ATOM 313 C LYS A 19 9.484 -3.164 10.287 1.00 0.00 C ATOM 314 O LYS A 19 8.869 -4.105 9.786 1.00 0.00 O ATOM 315 CB LYS A 19 10.015 -2.799 12.766 1.00 0.00 C ATOM 316 CG LYS A 19 8.914 -3.647 13.407 1.00 0.00 C ATOM 317 CD LYS A 19 8.658 -3.211 14.851 1.00 0.00 C ATOM 318 CE LYS A 19 7.577 -4.078 15.501 1.00 0.00 C ATOM 319 NZ LYS A 19 7.672 -4.005 16.976 1.00 0.00 N ATOM 0 H LYS A 19 11.975 -1.949 11.399 1.00 0.00 H new ATOM 0 HA LYS A 19 10.512 -4.479 11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.865 -2.728 13.444 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.650 -1.785 12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.995 -3.556 12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.201 -4.698 13.386 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.581 -3.283 15.426 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.351 -2.165 14.870 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.591 -3.744 15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.687 -5.112 15.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.932 -4.599 17.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.606 -4.345 17.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.545 -3.020 17.284 1.00 0.00 H new ATOM 333 N VAL A 20 9.366 -1.901 9.903 1.00 0.00 N ATOM 334 CA VAL A 20 8.469 -1.528 8.823 1.00 0.00 C ATOM 335 C VAL A 20 8.825 -2.329 7.569 1.00 0.00 C ATOM 336 O VAL A 20 7.942 -2.850 6.890 1.00 0.00 O ATOM 337 CB VAL A 20 8.519 -0.015 8.600 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.651 0.393 7.408 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.104 0.740 9.865 1.00 0.00 C ATOM 0 H VAL A 20 9.877 -1.123 10.321 1.00 0.00 H new ATOM 0 HA VAL A 20 7.439 -1.771 9.082 1.00 0.00 H new ATOM 0 HB VAL A 20 9.550 0.256 8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.705 1.473 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.012 -0.105 6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.617 0.102 7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.148 1.813 9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.086 0.461 10.138 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.781 0.485 10.680 1.00 0.00 H new ATOM 349 N TRP A 21 10.120 -2.403 7.301 1.00 0.00 N ATOM 350 CA TRP A 21 10.604 -3.132 6.141 1.00 0.00 C ATOM 351 C TRP A 21 10.029 -4.548 6.199 1.00 0.00 C ATOM 352 O TRP A 21 9.397 -5.005 5.248 1.00 0.00 O ATOM 353 CB TRP A 21 12.133 -3.109 6.077 1.00 0.00 C ATOM 354 CG TRP A 21 12.722 -3.975 4.962 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.668 -4.919 5.063 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.364 -3.938 3.565 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.945 -5.491 3.838 1.00 0.00 N ATOM 358 CE2 TRP A 21 13.126 -4.875 2.898 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.427 -3.139 2.886 1.00 0.00 C ATOM 360 CZ2 TRP A 21 13.030 -5.102 1.520 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.342 -3.378 1.509 1.00 0.00 C ATOM 362 CH2 TRP A 21 12.103 -4.317 0.823 1.00 0.00 C ATOM 0 H TRP A 21 10.849 -1.970 7.867 1.00 0.00 H new ATOM 0 HA TRP A 21 10.268 -2.657 5.219 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.465 -2.080 5.938 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.532 -3.446 7.034 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.153 -5.197 5.987 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.625 -6.229 3.656 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.821 -2.399 3.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.638 -5.842 1.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.636 -2.792 0.940 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.980 -4.441 -0.243 1.00 0.00 H new ATOM 373 N GLU A 22 10.269 -5.204 7.325 1.00 0.00 N ATOM 374 CA GLU A 22 9.782 -6.559 7.520 1.00 0.00 C ATOM 375 C GLU A 22 8.254 -6.569 7.594 1.00 0.00 C ATOM 376 O GLU A 22 7.622 -7.584 7.305 1.00 0.00 O ATOM 377 CB GLU A 22 10.396 -7.187 8.773 1.00 0.00 C ATOM 378 CG GLU A 22 11.126 -8.489 8.433 1.00 0.00 C ATOM 379 CD GLU A 22 10.785 -9.587 9.442 1.00 0.00 C ATOM 380 OE1 GLU A 22 10.568 -9.229 10.619 1.00 0.00 O ATOM 381 OE2 GLU A 22 10.750 -10.761 9.012 1.00 0.00 O ATOM 0 H GLU A 22 10.794 -4.822 8.112 1.00 0.00 H new ATOM 0 HA GLU A 22 10.088 -7.161 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.092 -6.485 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.614 -7.385 9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.850 -8.814 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.202 -8.316 8.428 1.00 0.00 H new ATOM 388 N ALA A 23 7.705 -5.428 7.982 1.00 0.00 N ATOM 389 CA ALA A 23 6.263 -5.293 8.097 1.00 0.00 C ATOM 390 C ALA A 23 5.666 -5.036 6.712 1.00 0.00 C ATOM 391 O ALA A 23 4.450 -5.082 6.538 1.00 0.00 O ATOM 392 CB ALA A 23 5.932 -4.177 9.090 1.00 0.00 C ATOM 0 H ALA A 23 8.233 -4.588 8.221 1.00 0.00 H new ATOM 0 HA ALA A 23 5.822 -6.213 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.850 -4.076 9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.352 -4.421 10.065 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.357 -3.238 8.737 1.00 0.00 H new ATOM 398 N VAL A 24 6.551 -4.771 5.762 1.00 0.00 N ATOM 399 CA VAL A 24 6.127 -4.507 4.397 1.00 0.00 C ATOM 400 C VAL A 24 6.791 -5.515 3.457 1.00 0.00 C ATOM 401 O VAL A 24 6.670 -5.406 2.238 1.00 0.00 O ATOM 402 CB VAL A 24 6.431 -3.054 4.027 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.854 -2.091 5.066 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.936 -2.836 3.853 1.00 0.00 C ATOM 0 H VAL A 24 7.559 -4.733 5.910 1.00 0.00 H new ATOM 0 HA VAL A 24 5.049 -4.634 4.300 1.00 0.00 H new ATOM 0 HB VAL A 24 5.949 -2.844 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.084 -1.065 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.773 -2.219 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.293 -2.302 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.125 -1.795 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.448 -3.074 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.308 -3.484 3.059 1.00 0.00 H new ATOM 414 N SER A 25 7.479 -6.474 4.060 1.00 0.00 N ATOM 415 CA SER A 25 8.163 -7.500 3.292 1.00 0.00 C ATOM 416 C SER A 25 7.449 -8.843 3.462 1.00 0.00 C ATOM 417 O SER A 25 7.455 -9.672 2.553 1.00 0.00 O ATOM 418 CB SER A 25 9.628 -7.621 3.716 1.00 0.00 C ATOM 419 OG SER A 25 9.785 -8.444 4.869 1.00 0.00 O ATOM 0 H SER A 25 7.577 -6.562 5.071 1.00 0.00 H new ATOM 0 HA SER A 25 8.140 -7.213 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.210 -8.035 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.029 -6.628 3.922 1.00 0.00 H new ATOM 0 HG SER A 25 10.734 -8.497 5.106 1.00 0.00 H new ATOM 425 N THR A 26 6.851 -9.016 4.632 1.00 0.00 N ATOM 426 CA THR A 26 6.135 -10.243 4.932 1.00 0.00 C ATOM 427 C THR A 26 4.635 -10.056 4.697 1.00 0.00 C ATOM 428 O THR A 26 4.164 -8.932 4.530 1.00 0.00 O ATOM 429 CB THR A 26 6.478 -10.653 6.365 1.00 0.00 C ATOM 430 OG1 THR A 26 6.143 -9.507 7.144 1.00 0.00 O ATOM 431 CG2 THR A 26 7.984 -10.822 6.581 1.00 0.00 C ATOM 0 H THR A 26 6.848 -8.326 5.383 1.00 0.00 H new ATOM 0 HA THR A 26 6.439 -11.051 4.266 1.00 0.00 H new ATOM 0 HB THR A 26 5.969 -11.586 6.607 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.964 -9.080 7.467 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.173 -11.113 7.614 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.363 -11.594 5.911 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.490 -9.879 6.372 1.00 0.00 H new ATOM 439 N SER A 27 3.925 -11.175 4.691 1.00 0.00 N ATOM 440 CA SER A 27 2.488 -11.149 4.479 1.00 0.00 C ATOM 441 C SER A 27 1.775 -10.759 5.775 1.00 0.00 C ATOM 442 O SER A 27 0.973 -9.826 5.790 1.00 0.00 O ATOM 443 CB SER A 27 1.980 -12.503 3.981 1.00 0.00 C ATOM 444 OG SER A 27 2.983 -13.220 3.265 1.00 0.00 O ATOM 0 H SER A 27 4.319 -12.106 4.830 1.00 0.00 H new ATOM 0 HA SER A 27 2.269 -10.405 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.645 -13.099 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.114 -12.351 3.337 1.00 0.00 H new ATOM 0 HG SER A 27 3.571 -12.587 2.803 1.00 0.00 H new ATOM 450 N GLU A 28 2.092 -11.492 6.832 1.00 0.00 N ATOM 451 CA GLU A 28 1.492 -11.234 8.130 1.00 0.00 C ATOM 452 C GLU A 28 1.651 -9.759 8.504 1.00 0.00 C ATOM 453 O GLU A 28 0.732 -9.152 9.053 1.00 0.00 O ATOM 454 CB GLU A 28 2.097 -12.141 9.203 1.00 0.00 C ATOM 455 CG GLU A 28 1.003 -12.879 9.978 1.00 0.00 C ATOM 456 CD GLU A 28 0.571 -12.082 11.210 1.00 0.00 C ATOM 457 OE1 GLU A 28 1.463 -11.776 12.030 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.643 -11.796 11.304 1.00 0.00 O ATOM 0 H GLU A 28 2.757 -12.265 6.816 1.00 0.00 H new ATOM 0 HA GLU A 28 0.427 -11.460 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.768 -12.863 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.697 -11.546 9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.143 -13.047 9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.368 -13.859 10.284 1.00 0.00 H new ATOM 465 N GLY A 29 2.822 -9.225 8.192 1.00 0.00 N ATOM 466 CA GLY A 29 3.113 -7.833 8.489 1.00 0.00 C ATOM 467 C GLY A 29 2.301 -6.899 7.590 1.00 0.00 C ATOM 468 O GLY A 29 1.876 -5.829 8.022 1.00 0.00 O ATOM 0 H GLY A 29 3.581 -9.731 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.886 -7.625 9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.177 -7.643 8.350 1.00 0.00 H new ATOM 472 N LEU A 30 2.109 -7.338 6.355 1.00 0.00 N ATOM 473 CA LEU A 30 1.355 -6.556 5.390 1.00 0.00 C ATOM 474 C LEU A 30 -0.138 -6.666 5.706 1.00 0.00 C ATOM 475 O LEU A 30 -0.796 -5.662 5.975 1.00 0.00 O ATOM 476 CB LEU A 30 1.714 -6.973 3.963 1.00 0.00 C ATOM 477 CG LEU A 30 2.675 -6.047 3.215 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.954 -6.788 2.820 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.989 -5.404 2.008 1.00 0.00 C ATOM 0 H LEU A 30 2.463 -8.226 6.000 1.00 0.00 H new ATOM 0 HA LEU A 30 1.620 -5.501 5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.154 -7.970 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.793 -7.051 3.386 1.00 0.00 H new ATOM 0 HG LEU A 30 2.965 -5.240 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.620 -6.107 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.452 -7.158 3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.703 -7.628 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.694 -4.751 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.651 -6.183 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.132 -4.820 2.345 1.00 0.00 H new ATOM 491 N ALA A 31 -0.630 -7.896 5.664 1.00 0.00 N ATOM 492 CA ALA A 31 -2.033 -8.150 5.942 1.00 0.00 C ATOM 493 C ALA A 31 -2.430 -7.436 7.236 1.00 0.00 C ATOM 494 O ALA A 31 -3.604 -7.140 7.450 1.00 0.00 O ATOM 495 CB ALA A 31 -2.274 -9.660 6.012 1.00 0.00 C ATOM 0 H ALA A 31 -0.082 -8.727 5.442 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.660 -7.756 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.327 -9.851 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.004 -10.116 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.663 -10.090 6.806 1.00 0.00 H new ATOM 501 N PHE A 32 -1.428 -7.181 8.064 1.00 0.00 N ATOM 502 CA PHE A 32 -1.658 -6.508 9.331 1.00 0.00 C ATOM 503 C PHE A 32 -2.294 -5.133 9.114 1.00 0.00 C ATOM 504 O PHE A 32 -2.905 -4.577 10.025 1.00 0.00 O ATOM 505 CB PHE A 32 -0.291 -6.325 9.995 1.00 0.00 C ATOM 506 CG PHE A 32 -0.286 -6.612 11.498 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.193 -6.005 12.309 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.626 -7.474 12.022 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.188 -6.271 13.704 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.631 -7.740 13.417 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.276 -7.133 14.228 1.00 0.00 C ATOM 0 H PHE A 32 -0.455 -7.428 7.882 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.335 -7.099 9.948 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.429 -6.982 9.508 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.048 -5.302 9.830 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.917 -5.321 11.892 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.346 -7.956 11.378 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.908 -5.789 14.348 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.355 -8.424 13.834 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.272 -7.336 15.289 1.00 0.00 H new ATOM 521 N TRP A 33 -2.128 -4.625 7.902 1.00 0.00 N ATOM 522 CA TRP A 33 -2.679 -3.326 7.553 1.00 0.00 C ATOM 523 C TRP A 33 -3.251 -3.419 6.137 1.00 0.00 C ATOM 524 O TRP A 33 -4.388 -3.017 5.895 1.00 0.00 O ATOM 525 CB TRP A 33 -1.625 -2.226 7.701 1.00 0.00 C ATOM 526 CG TRP A 33 -0.372 -2.447 6.852 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.714 -3.170 7.156 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.118 -1.907 5.537 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.646 -3.137 6.138 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.123 -2.344 5.123 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.912 -1.077 4.726 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.682 -2.003 3.885 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.339 -0.746 3.492 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.910 -1.177 3.060 1.00 0.00 C ATOM 0 H TRP A 33 -1.620 -5.089 7.149 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.484 -3.053 8.236 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.072 -1.270 7.429 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.334 -2.155 8.749 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.844 -3.711 8.082 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.551 -3.607 6.132 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.886 -0.723 5.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.656 -2.358 3.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.908 -0.111 2.829 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.283 -0.876 2.092 1.00 0.00 H new ATOM 545 N PHE A 34 -2.436 -3.953 5.239 1.00 0.00 N ATOM 546 CA PHE A 34 -2.847 -4.104 3.853 1.00 0.00 C ATOM 547 C PHE A 34 -3.967 -5.139 3.723 1.00 0.00 C ATOM 548 O PHE A 34 -5.144 -4.803 3.842 1.00 0.00 O ATOM 549 CB PHE A 34 -1.624 -4.593 3.075 1.00 0.00 C ATOM 550 CG PHE A 34 -1.947 -5.118 1.674 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.954 -4.558 0.953 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.226 -6.146 1.151 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.254 -5.045 -0.346 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.525 -6.633 -0.149 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.533 -6.072 -0.870 1.00 0.00 C ATOM 0 H PHE A 34 -1.494 -4.286 5.444 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.220 -3.154 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.909 -3.774 2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.136 -5.384 3.645 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.526 -3.742 1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.426 -6.592 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.055 -4.600 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.952 -7.449 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.761 -6.442 -1.859 1.00 0.00 H new ATOM 565 N MET A 35 -3.560 -6.376 3.480 1.00 0.00 N ATOM 566 CA MET A 35 -4.514 -7.462 3.333 1.00 0.00 C ATOM 567 C MET A 35 -3.808 -8.819 3.351 1.00 0.00 C ATOM 568 O MET A 35 -2.583 -8.886 3.260 1.00 0.00 O ATOM 569 CB MET A 35 -5.274 -7.299 2.015 1.00 0.00 C ATOM 570 CG MET A 35 -6.665 -6.708 2.253 1.00 0.00 C ATOM 571 SD MET A 35 -7.717 -7.038 0.849 1.00 0.00 S ATOM 572 CE MET A 35 -6.780 -6.230 -0.437 1.00 0.00 C ATOM 0 H MET A 35 -2.583 -6.650 3.381 1.00 0.00 H new ATOM 0 HA MET A 35 -5.210 -7.425 4.171 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.710 -6.651 1.344 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.366 -8.267 1.522 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.102 -7.137 3.154 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.589 -5.633 2.416 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.396 -6.136 -1.332 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.478 -5.239 -0.099 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.893 -6.821 -0.667 1.00 0.00 H new ATOM 582 N GLU A 36 -4.610 -9.866 3.468 1.00 0.00 N ATOM 583 CA GLU A 36 -4.077 -11.218 3.499 1.00 0.00 C ATOM 584 C GLU A 36 -3.377 -11.543 2.178 1.00 0.00 C ATOM 585 O GLU A 36 -3.894 -11.234 1.105 1.00 0.00 O ATOM 586 CB GLU A 36 -5.180 -12.235 3.800 1.00 0.00 C ATOM 587 CG GLU A 36 -5.513 -12.257 5.293 1.00 0.00 C ATOM 588 CD GLU A 36 -5.606 -13.693 5.813 1.00 0.00 C ATOM 589 OE1 GLU A 36 -4.579 -14.399 5.716 1.00 0.00 O ATOM 590 OE2 GLU A 36 -6.701 -14.053 6.295 1.00 0.00 O ATOM 0 H GLU A 36 -5.626 -9.806 3.543 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.342 -11.280 4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.074 -11.987 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.862 -13.227 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.748 -11.714 5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.458 -11.742 5.466 1.00 0.00 H new ATOM 597 N ASN A 37 -2.211 -12.161 2.300 1.00 0.00 N ATOM 598 CA ASN A 37 -1.435 -12.531 1.128 1.00 0.00 C ATOM 599 C ASN A 37 -0.343 -13.521 1.538 1.00 0.00 C ATOM 600 O ASN A 37 -0.292 -13.954 2.688 1.00 0.00 O ATOM 601 CB ASN A 37 -0.756 -11.307 0.509 1.00 0.00 C ATOM 602 CG ASN A 37 0.278 -10.711 1.466 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.453 -10.597 1.158 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.223 -10.338 2.640 1.00 0.00 N ATOM 0 H ASN A 37 -1.785 -12.415 3.191 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.114 -12.974 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.271 -11.589 -0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.506 -10.555 0.265 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.387 -9.928 3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.217 -10.462 2.833 1.00 0.00 H new ATOM 611 N ASP A 38 0.505 -13.850 0.574 1.00 0.00 N ATOM 612 CA ASP A 38 1.593 -14.781 0.820 1.00 0.00 C ATOM 613 C ASP A 38 2.898 -14.184 0.291 1.00 0.00 C ATOM 614 O ASP A 38 3.780 -14.913 -0.161 1.00 0.00 O ATOM 615 CB ASP A 38 1.354 -16.109 0.099 1.00 0.00 C ATOM 616 CG ASP A 38 -0.047 -16.697 0.274 1.00 0.00 C ATOM 617 OD1 ASP A 38 -0.471 -16.818 1.444 1.00 0.00 O ATOM 618 OD2 ASP A 38 -0.664 -17.013 -0.767 1.00 0.00 O ATOM 0 H ASP A 38 0.460 -13.488 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 38 1.649 -14.959 1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.541 -15.966 -0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.084 -16.836 0.456 1.00 0.00 H new ATOM 623 N LEU A 39 2.981 -12.863 0.365 1.00 0.00 N ATOM 624 CA LEU A 39 4.164 -12.160 -0.101 1.00 0.00 C ATOM 625 C LEU A 39 5.350 -12.517 0.797 1.00 0.00 C ATOM 626 O LEU A 39 5.174 -12.798 1.982 1.00 0.00 O ATOM 627 CB LEU A 39 3.892 -10.657 -0.193 1.00 0.00 C ATOM 628 CG LEU A 39 5.029 -9.804 -0.759 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.583 -9.065 -2.022 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.576 -8.847 0.302 1.00 0.00 C ATOM 0 H LEU A 39 2.248 -12.262 0.741 1.00 0.00 H new ATOM 0 HA LEU A 39 4.422 -12.476 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.007 -10.505 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.650 -10.290 0.804 1.00 0.00 H new ATOM 0 HG LEU A 39 5.845 -10.468 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.410 -8.466 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.279 -9.788 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.742 -8.413 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.383 -8.252 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.779 -8.186 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.957 -9.420 1.147 1.00 0.00 H new ATOM 642 N LYS A 40 6.532 -12.493 0.199 1.00 0.00 N ATOM 643 CA LYS A 40 7.747 -12.810 0.930 1.00 0.00 C ATOM 644 C LYS A 40 8.911 -12.003 0.350 1.00 0.00 C ATOM 645 O LYS A 40 10.047 -12.476 0.326 1.00 0.00 O ATOM 646 CB LYS A 40 7.989 -14.321 0.937 1.00 0.00 C ATOM 647 CG LYS A 40 8.000 -14.867 2.366 1.00 0.00 C ATOM 648 CD LYS A 40 8.009 -16.397 2.368 1.00 0.00 C ATOM 649 CE LYS A 40 6.628 -16.954 2.015 1.00 0.00 C ATOM 650 NZ LYS A 40 6.535 -18.383 2.388 1.00 0.00 N ATOM 0 H LYS A 40 6.674 -12.259 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 40 7.649 -12.521 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.211 -14.820 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.939 -14.543 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.877 -14.494 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.125 -14.504 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.746 -16.761 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.312 -16.761 3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.856 -16.386 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.445 -16.838 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.592 -18.745 2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.259 -18.924 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.689 -18.485 3.411 1.00 0.00 H new ATOM 664 N ALA A 41 8.589 -10.801 -0.102 1.00 0.00 N ATOM 665 CA ALA A 41 9.593 -9.924 -0.679 1.00 0.00 C ATOM 666 C ALA A 41 10.511 -10.739 -1.593 1.00 0.00 C ATOM 667 O ALA A 41 11.686 -10.932 -1.285 1.00 0.00 O ATOM 668 CB ALA A 41 10.361 -9.220 0.440 1.00 0.00 C ATOM 0 H ALA A 41 7.646 -10.413 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 41 9.123 -9.151 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.114 -8.562 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.669 -8.632 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.848 -9.964 1.070 1.00 0.00 H new ATOM 674 N GLU A 42 9.939 -11.197 -2.697 1.00 0.00 N ATOM 675 CA GLU A 42 10.691 -11.987 -3.657 1.00 0.00 C ATOM 676 C GLU A 42 10.148 -11.764 -5.069 1.00 0.00 C ATOM 677 O GLU A 42 9.038 -12.190 -5.385 1.00 0.00 O ATOM 678 CB GLU A 42 10.664 -13.471 -3.286 1.00 0.00 C ATOM 679 CG GLU A 42 12.067 -14.079 -3.353 1.00 0.00 C ATOM 680 CD GLU A 42 12.080 -15.493 -2.768 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.563 -16.397 -3.459 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.607 -15.637 -1.644 1.00 0.00 O ATOM 0 H GLU A 42 8.964 -11.036 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 42 11.730 -11.660 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.260 -13.591 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.999 -14.007 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.406 -14.107 -4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.767 -13.448 -2.805 1.00 0.00 H new ATOM 689 N THR A 43 10.955 -11.099 -5.882 1.00 0.00 N ATOM 690 CA THR A 43 10.569 -10.815 -7.253 1.00 0.00 C ATOM 691 C THR A 43 10.164 -12.104 -7.971 1.00 0.00 C ATOM 692 O THR A 43 10.818 -13.134 -7.821 1.00 0.00 O ATOM 693 CB THR A 43 11.729 -10.082 -7.930 1.00 0.00 C ATOM 694 OG1 THR A 43 11.098 -9.259 -8.907 1.00 0.00 O ATOM 695 CG2 THR A 43 12.616 -11.021 -8.750 1.00 0.00 C ATOM 0 H THR A 43 11.875 -10.748 -5.617 1.00 0.00 H new ATOM 0 HA THR A 43 9.692 -10.169 -7.290 1.00 0.00 H new ATOM 0 HB THR A 43 12.333 -9.581 -7.173 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.328 -8.321 -8.742 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.423 -10.450 -9.209 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.038 -11.786 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.020 -11.497 -9.529 1.00 0.00 H new ATOM 703 N GLY A 44 9.087 -12.003 -8.736 1.00 0.00 N ATOM 704 CA GLY A 44 8.586 -13.148 -9.478 1.00 0.00 C ATOM 705 C GLY A 44 8.001 -14.200 -8.533 1.00 0.00 C ATOM 706 O GLY A 44 8.112 -15.398 -8.787 1.00 0.00 O ATOM 0 H GLY A 44 8.547 -11.146 -8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.822 -12.823 -10.184 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.393 -13.588 -10.063 1.00 0.00 H new ATOM 710 N HIS A 45 7.390 -13.713 -7.463 1.00 0.00 N ATOM 711 CA HIS A 45 6.787 -14.596 -6.479 1.00 0.00 C ATOM 712 C HIS A 45 5.267 -14.426 -6.500 1.00 0.00 C ATOM 713 O HIS A 45 4.674 -13.990 -5.515 1.00 0.00 O ATOM 714 CB HIS A 45 7.391 -14.359 -5.093 1.00 0.00 C ATOM 715 CG HIS A 45 6.815 -15.242 -4.013 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.664 -16.609 -4.163 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.355 -14.939 -2.765 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.136 -17.097 -3.050 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.945 -16.060 -2.185 1.00 0.00 N ATOM 0 H HIS A 45 7.300 -12.718 -7.256 1.00 0.00 H new ATOM 0 HA HIS A 45 7.005 -15.633 -6.734 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.468 -14.521 -5.145 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.239 -13.316 -4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.329 -13.954 -2.324 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.899 -18.134 -2.861 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.552 -16.134 -1.247 1.00 0.00 H new ATOM 727 N HIS A 46 4.680 -14.780 -7.634 1.00 0.00 N ATOM 728 CA HIS A 46 3.240 -14.673 -7.797 1.00 0.00 C ATOM 729 C HIS A 46 2.543 -15.129 -6.514 1.00 0.00 C ATOM 730 O HIS A 46 2.497 -16.322 -6.219 1.00 0.00 O ATOM 731 CB HIS A 46 2.774 -15.445 -9.032 1.00 0.00 C ATOM 732 CG HIS A 46 3.444 -16.787 -9.207 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.083 -17.906 -8.476 1.00 0.00 N ATOM 734 CD2 HIS A 46 4.454 -17.177 -10.035 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.849 -18.918 -8.856 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.699 -18.465 -9.822 1.00 0.00 N ATOM 0 H HIS A 46 5.176 -15.141 -8.449 1.00 0.00 H new ATOM 0 HA HIS A 46 2.966 -13.632 -7.967 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.696 -15.594 -8.969 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.961 -14.839 -9.918 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.352 -17.945 -7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.968 -16.546 -10.744 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.808 -19.925 -8.469 1.00 0.00 H new ATOM 744 N PHE A 47 2.018 -14.155 -5.785 1.00 0.00 N ATOM 745 CA PHE A 47 1.326 -14.442 -4.540 1.00 0.00 C ATOM 746 C PHE A 47 -0.160 -14.092 -4.646 1.00 0.00 C ATOM 747 O PHE A 47 -0.521 -13.077 -5.240 1.00 0.00 O ATOM 748 CB PHE A 47 1.968 -13.569 -3.460 1.00 0.00 C ATOM 749 CG PHE A 47 1.855 -12.067 -3.725 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.681 -11.472 -4.628 1.00 0.00 C ATOM 751 CD2 PHE A 47 0.929 -11.326 -3.059 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.576 -10.078 -4.875 1.00 0.00 C ATOM 753 CE2 PHE A 47 0.825 -9.931 -3.306 1.00 0.00 C ATOM 754 CZ PHE A 47 1.651 -9.337 -4.208 1.00 0.00 C ATOM 0 H PHE A 47 2.058 -13.166 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 47 1.406 -15.503 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.502 -13.794 -2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.022 -13.834 -3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.416 -12.060 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.273 -11.798 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.231 -9.606 -5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.090 -9.342 -2.777 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.572 -8.276 -4.395 1.00 0.00 H new ATOM 764 N HIS A 48 -0.981 -14.951 -4.059 1.00 0.00 N ATOM 765 CA HIS A 48 -2.419 -14.745 -4.080 1.00 0.00 C ATOM 766 C HIS A 48 -2.788 -13.602 -3.132 1.00 0.00 C ATOM 767 O HIS A 48 -1.968 -13.176 -2.320 1.00 0.00 O ATOM 768 CB HIS A 48 -3.159 -16.045 -3.758 1.00 0.00 C ATOM 769 CG HIS A 48 -3.434 -16.910 -4.965 1.00 0.00 C ATOM 770 ND1 HIS A 48 -2.654 -18.005 -5.296 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.410 -16.832 -5.914 1.00 0.00 C ATOM 772 CE1 HIS A 48 -3.147 -18.552 -6.397 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.235 -17.823 -6.779 1.00 0.00 N ATOM 0 H HIS A 48 -0.677 -15.791 -3.566 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.734 -14.455 -5.082 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.572 -16.617 -3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.105 -15.802 -3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.193 -16.089 -5.955 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.756 -19.422 -6.903 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.818 -18.009 -7.595 1.00 0.00 H new ATOM 781 N LEU A 49 -4.021 -13.139 -3.267 1.00 0.00 N ATOM 782 CA LEU A 49 -4.509 -12.054 -2.433 1.00 0.00 C ATOM 783 C LEU A 49 -5.953 -12.343 -2.019 1.00 0.00 C ATOM 784 O LEU A 49 -6.844 -12.406 -2.865 1.00 0.00 O ATOM 785 CB LEU A 49 -4.330 -10.710 -3.142 1.00 0.00 C ATOM 786 CG LEU A 49 -4.488 -9.464 -2.268 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.387 -9.394 -1.209 1.00 0.00 C ATOM 788 CD2 LEU A 49 -4.542 -8.197 -3.125 1.00 0.00 C ATOM 0 H LEU A 49 -4.698 -13.495 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.922 -11.986 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.338 -10.689 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.052 -10.652 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.438 -9.535 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.523 -8.499 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.439 -10.277 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.414 -9.356 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.655 -7.326 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.620 -8.107 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.390 -8.255 -3.807 1.00 0.00 H new ATOM 800 N GLN A 50 -6.140 -12.512 -0.718 1.00 0.00 N ATOM 801 CA GLN A 50 -7.461 -12.794 -0.182 1.00 0.00 C ATOM 802 C GLN A 50 -8.204 -11.489 0.111 1.00 0.00 C ATOM 803 O GLN A 50 -8.298 -11.069 1.264 1.00 0.00 O ATOM 804 CB GLN A 50 -7.369 -13.666 1.072 1.00 0.00 C ATOM 805 CG GLN A 50 -6.925 -15.087 0.719 1.00 0.00 C ATOM 806 CD GLN A 50 -8.091 -16.071 0.837 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.294 -16.713 1.855 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.842 -16.154 -0.257 1.00 0.00 N ATOM 0 H GLN A 50 -5.399 -12.459 -0.019 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.025 -13.350 -0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.663 -13.225 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.338 -13.697 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.529 -15.107 -0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.116 -15.395 1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.616 -15.588 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.644 -16.784 -0.278 1.00 0.00 H new ATOM 817 N SER A 51 -8.712 -10.883 -0.951 1.00 0.00 N ATOM 818 CA SER A 51 -9.444 -9.634 -0.822 1.00 0.00 C ATOM 819 C SER A 51 -10.932 -9.919 -0.611 1.00 0.00 C ATOM 820 O SER A 51 -11.381 -11.051 -0.781 1.00 0.00 O ATOM 821 CB SER A 51 -9.242 -8.748 -2.053 1.00 0.00 C ATOM 822 OG SER A 51 -10.310 -8.881 -2.987 1.00 0.00 O ATOM 0 H SER A 51 -8.631 -11.233 -1.906 1.00 0.00 H new ATOM 0 HA SER A 51 -9.057 -9.098 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.161 -7.707 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.302 -9.010 -2.538 1.00 0.00 H new ATOM 0 HG SER A 51 -10.105 -9.603 -3.618 1.00 0.00 H new ATOM 828 N PRO A 52 -11.675 -8.844 -0.234 1.00 0.00 N ATOM 829 CA PRO A 52 -13.104 -8.968 0.002 1.00 0.00 C ATOM 830 C PRO A 52 -13.870 -9.078 -1.318 1.00 0.00 C ATOM 831 O PRO A 52 -14.843 -9.825 -1.414 1.00 0.00 O ATOM 832 CB PRO A 52 -13.478 -7.732 0.805 1.00 0.00 C ATOM 833 CG PRO A 52 -12.348 -6.738 0.591 1.00 0.00 C ATOM 834 CD PRO A 52 -11.177 -7.488 -0.023 1.00 0.00 C ATOM 0 HA PRO A 52 -13.364 -9.875 0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.429 -7.320 0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.592 -7.973 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.670 -5.930 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.056 -6.283 1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.862 -7.031 -0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.312 -7.483 0.640 1.00 0.00 H new ATOM 842 N PHE A 53 -13.403 -8.323 -2.301 1.00 0.00 N ATOM 843 CA PHE A 53 -14.032 -8.327 -3.611 1.00 0.00 C ATOM 844 C PHE A 53 -13.508 -9.481 -4.468 1.00 0.00 C ATOM 845 O PHE A 53 -13.174 -9.290 -5.636 1.00 0.00 O ATOM 846 CB PHE A 53 -13.670 -7.002 -4.285 1.00 0.00 C ATOM 847 CG PHE A 53 -14.871 -6.245 -4.856 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.603 -5.427 -4.053 1.00 0.00 C ATOM 849 CD2 PHE A 53 -15.206 -6.391 -6.166 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.718 -4.725 -4.584 1.00 0.00 C ATOM 851 CE2 PHE A 53 -16.320 -5.689 -6.696 1.00 0.00 C ATOM 852 CZ PHE A 53 -17.053 -4.871 -5.894 1.00 0.00 C ATOM 0 H PHE A 53 -12.596 -7.704 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.110 -8.449 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.163 -6.365 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.961 -7.197 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.337 -5.311 -3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.624 -7.041 -6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.300 -4.075 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -16.586 -5.804 -7.736 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.901 -4.337 -6.297 1.00 0.00 H new ATOM 862 N GLY A 54 -13.452 -10.654 -3.854 1.00 0.00 N ATOM 863 CA GLY A 54 -12.975 -11.839 -4.546 1.00 0.00 C ATOM 864 C GLY A 54 -11.447 -11.919 -4.506 1.00 0.00 C ATOM 865 O GLY A 54 -10.771 -10.896 -4.414 1.00 0.00 O ATOM 0 H GLY A 54 -13.729 -10.809 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.402 -12.730 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.315 -11.822 -5.581 1.00 0.00 H new ATOM 869 N PRO A 55 -10.936 -13.177 -4.579 1.00 0.00 N ATOM 870 CA PRO A 55 -9.501 -13.404 -4.552 1.00 0.00 C ATOM 871 C PRO A 55 -8.861 -13.028 -5.891 1.00 0.00 C ATOM 872 O PRO A 55 -9.390 -13.359 -6.950 1.00 0.00 O ATOM 873 CB PRO A 55 -9.342 -14.876 -4.210 1.00 0.00 C ATOM 874 CG PRO A 55 -10.683 -15.522 -4.515 1.00 0.00 C ATOM 875 CD PRO A 55 -11.706 -14.412 -4.689 1.00 0.00 C ATOM 0 HA PRO A 55 -8.990 -12.781 -3.818 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.546 -15.330 -4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.075 -15.007 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.618 -16.127 -5.419 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.978 -16.190 -3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.206 -14.482 -5.655 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.481 -14.465 -3.925 1.00 0.00 H new ATOM 883 N SER A 56 -7.731 -12.342 -5.798 1.00 0.00 N ATOM 884 CA SER A 56 -7.014 -11.918 -6.989 1.00 0.00 C ATOM 885 C SER A 56 -5.527 -12.250 -6.850 1.00 0.00 C ATOM 886 O SER A 56 -4.922 -11.984 -5.812 1.00 0.00 O ATOM 887 CB SER A 56 -7.202 -10.421 -7.241 1.00 0.00 C ATOM 888 OG SER A 56 -8.477 -10.131 -7.807 1.00 0.00 O ATOM 0 H SER A 56 -7.295 -12.069 -4.917 1.00 0.00 H new ATOM 0 HA SER A 56 -7.422 -12.457 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.090 -9.879 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.419 -10.065 -7.910 1.00 0.00 H new ATOM 0 HG SER A 56 -8.559 -9.165 -7.951 1.00 0.00 H new ATOM 894 N PRO A 57 -4.966 -12.842 -7.938 1.00 0.00 N ATOM 895 CA PRO A 57 -3.561 -13.214 -7.947 1.00 0.00 C ATOM 896 C PRO A 57 -2.670 -11.982 -8.115 1.00 0.00 C ATOM 897 O PRO A 57 -2.902 -11.159 -8.999 1.00 0.00 O ATOM 898 CB PRO A 57 -3.424 -14.207 -9.090 1.00 0.00 C ATOM 899 CG PRO A 57 -4.648 -14.003 -9.968 1.00 0.00 C ATOM 900 CD PRO A 57 -5.652 -13.173 -9.183 1.00 0.00 C ATOM 0 HA PRO A 57 -3.238 -13.662 -7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.507 -14.032 -9.652 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.378 -15.230 -8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.374 -13.496 -10.893 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.082 -14.963 -10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.936 -12.274 -9.730 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.567 -13.734 -8.994 1.00 0.00 H new ATOM 908 N CYS A 58 -1.667 -11.895 -7.253 1.00 0.00 N ATOM 909 CA CYS A 58 -0.740 -10.777 -7.295 1.00 0.00 C ATOM 910 C CYS A 58 0.641 -11.313 -7.679 1.00 0.00 C ATOM 911 O CYS A 58 0.871 -12.521 -7.653 1.00 0.00 O ATOM 912 CB CYS A 58 -0.708 -10.018 -5.966 1.00 0.00 C ATOM 913 SG CYS A 58 -2.307 -9.172 -5.691 1.00 0.00 S ATOM 0 H CYS A 58 -1.476 -12.580 -6.522 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.070 -10.055 -8.042 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.507 -10.709 -5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.102 -9.289 -5.973 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.092 -7.928 -5.382 1.00 0.00 H new ATOM 919 N GLN A 59 1.524 -10.388 -8.026 1.00 0.00 N ATOM 920 CA GLN A 59 2.876 -10.753 -8.415 1.00 0.00 C ATOM 921 C GLN A 59 3.842 -9.604 -8.117 1.00 0.00 C ATOM 922 O GLN A 59 3.462 -8.436 -8.185 1.00 0.00 O ATOM 923 CB GLN A 59 2.933 -11.149 -9.892 1.00 0.00 C ATOM 924 CG GLN A 59 4.377 -11.385 -10.340 1.00 0.00 C ATOM 925 CD GLN A 59 4.435 -12.385 -11.497 1.00 0.00 C ATOM 926 OE1 GLN A 59 3.802 -12.220 -12.527 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.228 -13.428 -11.271 1.00 0.00 N ATOM 0 H GLN A 59 1.330 -9.387 -8.046 1.00 0.00 H new ATOM 0 HA GLN A 59 3.181 -11.620 -7.829 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.346 -12.053 -10.053 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.483 -10.364 -10.500 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.825 -10.440 -10.648 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.965 -11.758 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.730 -13.505 -10.386 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.335 -14.151 -11.982 1.00 0.00 H new ATOM 936 N VAL A 60 5.071 -9.976 -7.794 1.00 0.00 N ATOM 937 CA VAL A 60 6.094 -8.992 -7.486 1.00 0.00 C ATOM 938 C VAL A 60 6.933 -8.725 -8.737 1.00 0.00 C ATOM 939 O VAL A 60 7.254 -9.649 -9.482 1.00 0.00 O ATOM 940 CB VAL A 60 6.932 -9.462 -6.294 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.992 -8.423 -5.925 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.042 -9.788 -5.094 1.00 0.00 C ATOM 0 H VAL A 60 5.382 -10.946 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 60 5.637 -8.047 -7.193 1.00 0.00 H new ATOM 0 HB VAL A 60 7.448 -10.376 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.573 -8.782 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.654 -8.261 -6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.505 -7.484 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.662 -10.119 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.486 -8.898 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.343 -10.580 -5.364 1.00 0.00 H new ATOM 952 N THR A 61 7.263 -7.456 -8.930 1.00 0.00 N ATOM 953 CA THR A 61 8.058 -7.056 -10.078 1.00 0.00 C ATOM 954 C THR A 61 9.453 -6.611 -9.633 1.00 0.00 C ATOM 955 O THR A 61 10.435 -6.839 -10.337 1.00 0.00 O ATOM 956 CB THR A 61 7.287 -5.971 -10.832 1.00 0.00 C ATOM 957 OG1 THR A 61 7.202 -4.895 -9.903 1.00 0.00 O ATOM 958 CG2 THR A 61 5.828 -6.359 -11.086 1.00 0.00 C ATOM 0 H THR A 61 6.994 -6.692 -8.310 1.00 0.00 H new ATOM 0 HA THR A 61 8.219 -7.893 -10.757 1.00 0.00 H new ATOM 0 HB THR A 61 7.781 -5.770 -11.783 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.718 -4.147 -10.312 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.326 -5.555 -11.624 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.792 -7.271 -11.681 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.325 -6.528 -10.134 1.00 0.00 H new ATOM 966 N ASP A 62 9.494 -5.984 -8.466 1.00 0.00 N ATOM 967 CA ASP A 62 10.752 -5.505 -7.918 1.00 0.00 C ATOM 968 C ASP A 62 10.664 -5.485 -6.391 1.00 0.00 C ATOM 969 O ASP A 62 9.693 -4.981 -5.828 1.00 0.00 O ATOM 970 CB ASP A 62 11.053 -4.082 -8.393 1.00 0.00 C ATOM 971 CG ASP A 62 12.497 -3.840 -8.837 1.00 0.00 C ATOM 972 OD1 ASP A 62 13.380 -4.549 -8.308 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.685 -2.951 -9.696 1.00 0.00 O ATOM 0 H ASP A 62 8.677 -5.797 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 62 11.544 -6.174 -8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.389 -3.844 -9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.816 -3.388 -7.587 1.00 0.00 H new ATOM 978 N VAL A 63 11.690 -6.041 -5.764 1.00 0.00 N ATOM 979 CA VAL A 63 11.741 -6.093 -4.313 1.00 0.00 C ATOM 980 C VAL A 63 13.188 -6.309 -3.864 1.00 0.00 C ATOM 981 O VAL A 63 13.752 -7.382 -4.071 1.00 0.00 O ATOM 982 CB VAL A 63 10.788 -7.172 -3.795 1.00 0.00 C ATOM 983 CG1 VAL A 63 11.001 -8.494 -4.536 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.941 -7.360 -2.284 1.00 0.00 C ATOM 0 H VAL A 63 12.493 -6.459 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 63 11.406 -5.148 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 63 9.768 -6.839 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.311 -9.244 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.818 -8.348 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.026 -8.833 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.252 -8.132 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.964 -7.659 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.716 -6.422 -1.776 1.00 0.00 H new ATOM 994 N GLU A 64 13.747 -5.271 -3.260 1.00 0.00 N ATOM 995 CA GLU A 64 15.117 -5.333 -2.781 1.00 0.00 C ATOM 996 C GLU A 64 15.328 -4.332 -1.643 1.00 0.00 C ATOM 997 O GLU A 64 15.439 -3.130 -1.881 1.00 0.00 O ATOM 998 CB GLU A 64 16.108 -5.084 -3.920 1.00 0.00 C ATOM 999 CG GLU A 64 17.552 -5.192 -3.424 1.00 0.00 C ATOM 1000 CD GLU A 64 18.331 -6.234 -4.230 1.00 0.00 C ATOM 1001 OE1 GLU A 64 18.387 -6.068 -5.467 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.854 -7.171 -3.589 1.00 0.00 O ATOM 0 H GLU A 64 13.276 -4.382 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 64 15.301 -6.336 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.939 -5.807 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.939 -4.094 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.042 -4.222 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.559 -5.464 -2.368 1.00 0.00 H new ATOM 1009 N ARG A 65 15.376 -4.865 -0.430 1.00 0.00 N ATOM 1010 CA ARG A 65 15.571 -4.033 0.745 1.00 0.00 C ATOM 1011 C ARG A 65 14.520 -2.922 0.790 1.00 0.00 C ATOM 1012 O ARG A 65 13.810 -2.695 -0.188 1.00 0.00 O ATOM 1013 CB ARG A 65 16.967 -3.406 0.751 1.00 0.00 C ATOM 1014 CG ARG A 65 17.859 -4.063 1.806 1.00 0.00 C ATOM 1015 CD ARG A 65 18.961 -3.106 2.264 1.00 0.00 C ATOM 1016 NE ARG A 65 20.236 -3.441 1.590 1.00 0.00 N ATOM 1017 CZ ARG A 65 20.957 -4.540 1.851 1.00 0.00 C ATOM 1018 NH1 ARG A 65 20.535 -5.415 2.774 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.102 -4.762 1.190 1.00 0.00 N ATOM 0 H ARG A 65 15.283 -5.862 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 65 15.468 -4.671 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.422 -3.514 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.889 -2.337 0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.255 -4.364 2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.306 -4.969 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.679 -2.078 2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.084 -3.171 3.345 1.00 0.00 H new ATOM 0 HE ARG A 65 20.587 -2.795 0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.665 -5.245 3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.084 -6.251 2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.424 -4.095 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.651 -5.598 1.388 1.00 0.00 H new ATOM 1033 N PRO A 66 14.453 -2.242 1.965 1.00 0.00 N ATOM 1034 CA PRO A 66 13.500 -1.160 2.150 1.00 0.00 C ATOM 1035 C PRO A 66 13.950 0.100 1.407 1.00 0.00 C ATOM 1036 O PRO A 66 14.375 1.073 2.028 1.00 0.00 O ATOM 1037 CB PRO A 66 13.416 -0.963 3.655 1.00 0.00 C ATOM 1038 CG PRO A 66 14.661 -1.618 4.232 1.00 0.00 C ATOM 1039 CD PRO A 66 15.278 -2.483 3.145 1.00 0.00 C ATOM 0 HA PRO A 66 12.518 -1.389 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.379 0.096 3.909 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.512 -1.419 4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.371 -0.861 4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.406 -2.223 5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.317 -2.209 2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.270 -3.536 3.425 1.00 0.00 H new ATOM 1047 N ILE A 67 13.842 0.040 0.088 1.00 0.00 N ATOM 1048 CA ILE A 67 14.232 1.164 -0.746 1.00 0.00 C ATOM 1049 C ILE A 67 13.289 1.253 -1.948 1.00 0.00 C ATOM 1050 O ILE A 67 12.810 2.334 -2.287 1.00 0.00 O ATOM 1051 CB ILE A 67 15.709 1.059 -1.130 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.042 -0.341 -1.651 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.609 1.465 0.039 1.00 0.00 C ATOM 1054 CD1 ILE A 67 16.127 -0.352 -3.178 1.00 0.00 C ATOM 0 H ILE A 67 13.490 -0.769 -0.424 1.00 0.00 H new ATOM 0 HA ILE A 67 14.135 2.099 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 67 15.902 1.759 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 67 16.990 -0.674 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.280 -1.047 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.654 1.381 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.394 2.495 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.421 0.808 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.365 -1.359 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.170 -0.042 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.907 0.336 -3.504 1.00 0.00 H new ATOM 1066 N LYS A 68 13.051 0.102 -2.559 1.00 0.00 N ATOM 1067 CA LYS A 68 12.175 0.036 -3.716 1.00 0.00 C ATOM 1068 C LYS A 68 11.382 -1.272 -3.676 1.00 0.00 C ATOM 1069 O LYS A 68 11.957 -2.354 -3.778 1.00 0.00 O ATOM 1070 CB LYS A 68 12.974 0.231 -5.006 1.00 0.00 C ATOM 1071 CG LYS A 68 12.095 -0.004 -6.237 1.00 0.00 C ATOM 1072 CD LYS A 68 12.225 1.150 -7.232 1.00 0.00 C ATOM 1073 CE LYS A 68 11.633 0.772 -8.591 1.00 0.00 C ATOM 1074 NZ LYS A 68 11.597 1.950 -9.486 1.00 0.00 N ATOM 0 H LYS A 68 13.450 -0.793 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 68 11.450 0.850 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.384 1.241 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.819 -0.457 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.381 -0.939 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.054 -0.109 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.715 2.031 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.275 1.416 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.228 -0.020 -9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.626 0.378 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.192 1.676 -10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.010 2.694 -9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.563 2.309 -9.627 1.00 0.00 H new ATOM 1088 N LEU A 69 10.073 -1.129 -3.527 1.00 0.00 N ATOM 1089 CA LEU A 69 9.195 -2.285 -3.472 1.00 0.00 C ATOM 1090 C LEU A 69 7.988 -2.048 -4.381 1.00 0.00 C ATOM 1091 O LEU A 69 7.361 -0.991 -4.322 1.00 0.00 O ATOM 1092 CB LEU A 69 8.821 -2.606 -2.023 1.00 0.00 C ATOM 1093 CG LEU A 69 7.822 -3.748 -1.825 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.507 -5.107 -1.978 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.100 -3.619 -0.483 1.00 0.00 C ATOM 0 H LEU A 69 9.599 -0.230 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 69 9.708 -3.170 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.733 -2.850 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.409 -1.706 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 69 7.065 -3.678 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.775 -5.902 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.937 -5.188 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.298 -5.202 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.396 -4.443 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.829 -3.649 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.560 -2.673 -0.450 1.00 0.00 H new ATOM 1107 N SER A 70 7.697 -3.048 -5.199 1.00 0.00 N ATOM 1108 CA SER A 70 6.576 -2.961 -6.119 1.00 0.00 C ATOM 1109 C SER A 70 5.903 -4.328 -6.255 1.00 0.00 C ATOM 1110 O SER A 70 6.552 -5.361 -6.101 1.00 0.00 O ATOM 1111 CB SER A 70 7.027 -2.453 -7.491 1.00 0.00 C ATOM 1112 OG SER A 70 6.037 -1.636 -8.109 1.00 0.00 O ATOM 0 H SER A 70 8.218 -3.923 -5.244 1.00 0.00 H new ATOM 0 HA SER A 70 5.857 -2.248 -5.715 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.950 -1.884 -7.381 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.251 -3.302 -8.137 1.00 0.00 H new ATOM 0 HG SER A 70 6.363 -1.330 -8.981 1.00 0.00 H new ATOM 1118 N PHE A 71 4.609 -4.289 -6.540 1.00 0.00 N ATOM 1119 CA PHE A 71 3.841 -5.512 -6.698 1.00 0.00 C ATOM 1120 C PHE A 71 2.592 -5.269 -7.547 1.00 0.00 C ATOM 1121 O PHE A 71 1.932 -4.241 -7.407 1.00 0.00 O ATOM 1122 CB PHE A 71 3.413 -5.955 -5.297 1.00 0.00 C ATOM 1123 CG PHE A 71 2.176 -5.227 -4.766 1.00 0.00 C ATOM 1124 CD1 PHE A 71 0.952 -5.488 -5.298 1.00 0.00 C ATOM 1125 CD2 PHE A 71 2.302 -4.319 -3.761 1.00 0.00 C ATOM 1126 CE1 PHE A 71 -0.195 -4.812 -4.804 1.00 0.00 C ATOM 1127 CE2 PHE A 71 1.154 -3.644 -3.267 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.070 -3.905 -3.799 1.00 0.00 C ATOM 0 H PHE A 71 4.074 -3.430 -6.665 1.00 0.00 H new ATOM 0 HA PHE A 71 4.445 -6.269 -7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.214 -7.027 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.241 -5.794 -4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.852 -6.209 -6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.274 -4.111 -3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.167 -5.019 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.253 -2.923 -2.469 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.943 -3.392 -3.423 1.00 0.00 H new ATOM 1138 N THR A 72 2.305 -6.233 -8.410 1.00 0.00 N ATOM 1139 CA THR A 72 1.147 -6.137 -9.282 1.00 0.00 C ATOM 1140 C THR A 72 -0.105 -6.646 -8.565 1.00 0.00 C ATOM 1141 O THR A 72 -0.049 -7.640 -7.842 1.00 0.00 O ATOM 1142 CB THR A 72 1.461 -6.899 -10.571 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.472 -8.267 -10.172 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.885 -6.646 -11.069 1.00 0.00 C ATOM 0 H THR A 72 2.855 -7.085 -8.524 1.00 0.00 H new ATOM 0 HA THR A 72 0.934 -5.100 -9.544 1.00 0.00 H new ATOM 0 HB THR A 72 0.749 -6.611 -11.345 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.212 -8.420 -9.548 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.055 -7.210 -11.986 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.017 -5.582 -11.268 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.598 -6.965 -10.309 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.204 -5.942 -8.789 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.467 -6.310 -8.173 1.00 0.00 C ATOM 1154 C TRP A 73 -3.282 -7.099 -9.200 1.00 0.00 C ATOM 1155 O TRP A 73 -3.462 -6.652 -10.331 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.202 -5.075 -7.648 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.446 -5.397 -6.817 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -5.411 -6.287 -7.086 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -4.821 -4.792 -5.562 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.377 -6.300 -6.101 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.007 -5.362 -5.144 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.180 -3.796 -4.804 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -6.654 -5.001 -3.956 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -4.840 -3.447 -3.619 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.034 -4.011 -3.185 1.00 0.00 C ATOM 0 H TRP A 73 -1.246 -5.118 -9.389 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.301 -6.942 -7.301 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.514 -4.487 -7.041 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.494 -4.452 -8.493 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.430 -6.916 -7.964 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -7.209 -6.889 -6.079 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.252 -3.337 -5.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.582 -5.462 -3.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.390 -2.686 -2.999 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -6.481 -3.687 -2.257 1.00 0.00 H new ATOM 1176 N ASP A 74 -3.753 -8.261 -8.768 1.00 0.00 N ATOM 1177 CA ASP A 74 -4.544 -9.116 -9.636 1.00 0.00 C ATOM 1178 C ASP A 74 -3.735 -9.450 -10.891 1.00 0.00 C ATOM 1179 O ASP A 74 -2.705 -8.831 -11.153 1.00 0.00 O ATOM 1180 CB ASP A 74 -5.831 -8.416 -10.076 1.00 0.00 C ATOM 1181 CG ASP A 74 -6.602 -9.121 -11.193 1.00 0.00 C ATOM 1182 OD1 ASP A 74 -6.973 -10.294 -10.974 1.00 0.00 O ATOM 1183 OD2 ASP A 74 -6.803 -8.471 -12.242 1.00 0.00 O ATOM 0 H ASP A 74 -3.602 -8.629 -7.829 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.797 -10.019 -9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.486 -8.316 -9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.583 -7.407 -10.407 1.00 0.00 H new ATOM 1188 N THR A 75 -4.232 -10.428 -11.634 1.00 0.00 N ATOM 1189 CA THR A 75 -3.568 -10.851 -12.856 1.00 0.00 C ATOM 1190 C THR A 75 -3.215 -9.638 -13.719 1.00 0.00 C ATOM 1191 O THR A 75 -2.210 -9.647 -14.427 1.00 0.00 O ATOM 1192 CB THR A 75 -4.478 -11.857 -13.564 1.00 0.00 C ATOM 1193 OG1 THR A 75 -4.110 -11.751 -14.936 1.00 0.00 O ATOM 1194 CG2 THR A 75 -5.948 -11.436 -13.538 1.00 0.00 C ATOM 0 H THR A 75 -5.086 -10.940 -11.414 1.00 0.00 H new ATOM 0 HA THR A 75 -2.620 -11.344 -12.641 1.00 0.00 H new ATOM 0 HB THR A 75 -4.373 -12.835 -13.094 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.651 -12.371 -15.469 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.550 -12.184 -14.054 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.284 -11.350 -12.505 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.060 -10.474 -14.037 1.00 0.00 H new ATOM 1202 N ASP A 76 -4.063 -8.623 -13.631 1.00 0.00 N ATOM 1203 CA ASP A 76 -3.853 -7.406 -14.396 1.00 0.00 C ATOM 1204 C ASP A 76 -4.946 -6.394 -14.045 1.00 0.00 C ATOM 1205 O ASP A 76 -6.113 -6.596 -14.376 1.00 0.00 O ATOM 1206 CB ASP A 76 -3.927 -7.679 -15.899 1.00 0.00 C ATOM 1207 CG ASP A 76 -3.533 -6.501 -16.791 1.00 0.00 C ATOM 1208 OD1 ASP A 76 -2.486 -5.887 -16.491 1.00 0.00 O ATOM 1209 OD2 ASP A 76 -4.287 -6.240 -17.753 1.00 0.00 O ATOM 0 H ASP A 76 -4.896 -8.619 -13.042 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.864 -7.019 -14.149 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.279 -8.524 -16.132 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.945 -7.980 -16.149 1.00 0.00 H new ATOM 1214 N GLY A 77 -4.528 -5.327 -13.379 1.00 0.00 N ATOM 1215 CA GLY A 77 -5.457 -4.284 -12.979 1.00 0.00 C ATOM 1216 C GLY A 77 -4.716 -2.985 -12.653 1.00 0.00 C ATOM 1217 O GLY A 77 -4.456 -2.175 -13.541 1.00 0.00 O ATOM 0 H GLY A 77 -3.559 -5.163 -13.107 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.176 -4.106 -13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.024 -4.612 -12.108 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.396 -2.829 -11.377 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.690 -1.643 -10.922 1.00 0.00 C ATOM 1223 C TRP A 78 -2.341 -2.086 -10.352 1.00 0.00 C ATOM 1224 O TRP A 78 -2.172 -3.245 -9.976 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.533 -0.853 -9.919 1.00 0.00 C ATOM 1226 CG TRP A 78 -5.926 -0.482 -10.433 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.329 -0.355 -11.705 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.089 -0.192 -9.630 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.662 -0.006 -11.780 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.139 0.096 -10.478 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.250 -0.174 -8.233 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.423 0.423 -10.025 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -8.539 0.154 -7.797 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.606 0.447 -8.638 1.00 0.00 C ATOM 0 H TRP A 78 -4.613 -3.504 -10.644 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.510 -0.959 -11.752 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.638 -1.440 -9.006 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.001 0.060 -9.652 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.691 -0.507 -12.563 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.199 0.149 -12.634 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.443 -0.396 -7.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.229 0.645 -10.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.717 0.181 -6.732 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.572 0.692 -8.223 1.00 0.00 H new ATOM 1245 N SER A 79 -1.415 -1.139 -10.305 1.00 0.00 N ATOM 1246 CA SER A 79 -0.086 -1.417 -9.787 1.00 0.00 C ATOM 1247 C SER A 79 0.339 -0.311 -8.819 1.00 0.00 C ATOM 1248 O SER A 79 0.223 0.872 -9.133 1.00 0.00 O ATOM 1249 CB SER A 79 0.931 -1.550 -10.922 1.00 0.00 C ATOM 1250 OG SER A 79 0.390 -1.140 -12.174 1.00 0.00 O ATOM 0 H SER A 79 -1.559 -0.179 -10.617 1.00 0.00 H new ATOM 0 HA SER A 79 -0.118 -2.366 -9.253 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.811 -0.949 -10.693 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.263 -2.586 -10.992 1.00 0.00 H new ATOM 0 HG SER A 79 1.070 -1.238 -12.872 1.00 0.00 H new ATOM 1256 N VAL A 80 0.824 -0.736 -7.661 1.00 0.00 N ATOM 1257 CA VAL A 80 1.268 0.203 -6.646 1.00 0.00 C ATOM 1258 C VAL A 80 2.731 -0.081 -6.299 1.00 0.00 C ATOM 1259 O VAL A 80 3.158 -1.235 -6.291 1.00 0.00 O ATOM 1260 CB VAL A 80 0.341 0.137 -5.430 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.400 -1.243 -4.771 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.676 1.240 -4.424 1.00 0.00 C ATOM 0 H VAL A 80 0.919 -1.718 -7.404 1.00 0.00 H new ATOM 0 HA VAL A 80 1.216 1.225 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.679 0.300 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.268 -1.264 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.090 -2.002 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.420 -1.447 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.002 1.170 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.705 1.123 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.559 2.214 -4.899 1.00 0.00 H new ATOM 1272 N THR A 81 3.459 0.990 -6.020 1.00 0.00 N ATOM 1273 CA THR A 81 4.865 0.871 -5.673 1.00 0.00 C ATOM 1274 C THR A 81 5.146 1.566 -4.340 1.00 0.00 C ATOM 1275 O THR A 81 4.675 2.677 -4.104 1.00 0.00 O ATOM 1276 CB THR A 81 5.688 1.430 -6.836 1.00 0.00 C ATOM 1277 OG1 THR A 81 5.179 0.750 -7.980 1.00 0.00 O ATOM 1278 CG2 THR A 81 7.156 1.004 -6.772 1.00 0.00 C ATOM 0 H THR A 81 3.101 1.945 -6.027 1.00 0.00 H new ATOM 0 HA THR A 81 5.149 -0.171 -5.526 1.00 0.00 H new ATOM 0 HB THR A 81 5.625 2.518 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.253 -0.218 -7.845 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.695 1.427 -7.620 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.599 1.364 -5.844 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.221 -0.083 -6.807 1.00 0.00 H new ATOM 1286 N PHE A 82 5.913 0.883 -3.503 1.00 0.00 N ATOM 1287 CA PHE A 82 6.262 1.421 -2.199 1.00 0.00 C ATOM 1288 C PHE A 82 7.694 1.959 -2.194 1.00 0.00 C ATOM 1289 O PHE A 82 8.548 1.469 -2.932 1.00 0.00 O ATOM 1290 CB PHE A 82 6.160 0.269 -1.198 1.00 0.00 C ATOM 1291 CG PHE A 82 4.732 -0.231 -0.968 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.782 0.620 -0.495 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.413 -1.525 -1.236 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.457 0.156 -0.281 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.088 -1.989 -1.022 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.138 -1.138 -0.550 1.00 0.00 C ATOM 0 H PHE A 82 6.303 -0.038 -3.702 1.00 0.00 H new ATOM 0 HA PHE A 82 5.592 2.242 -1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.772 -0.561 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.579 0.591 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.035 1.648 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.167 -2.200 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.703 0.831 0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.835 -3.017 -1.234 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.130 -1.490 -0.389 1.00 0.00 H new ATOM 1306 N HIS A 83 7.913 2.960 -1.355 1.00 0.00 N ATOM 1307 CA HIS A 83 9.228 3.570 -1.244 1.00 0.00 C ATOM 1308 C HIS A 83 9.548 3.835 0.228 1.00 0.00 C ATOM 1309 O HIS A 83 8.882 4.640 0.877 1.00 0.00 O ATOM 1310 CB HIS A 83 9.315 4.832 -2.106 1.00 0.00 C ATOM 1311 CG HIS A 83 9.755 4.575 -3.528 1.00 0.00 C ATOM 1312 ND1 HIS A 83 11.086 4.481 -3.896 1.00 0.00 N ATOM 1313 CD2 HIS A 83 9.027 4.393 -4.667 1.00 0.00 C ATOM 1314 CE1 HIS A 83 11.144 4.253 -5.199 1.00 0.00 C ATOM 1315 NE2 HIS A 83 9.867 4.199 -5.676 1.00 0.00 N ATOM 0 H HIS A 83 7.202 3.364 -0.745 1.00 0.00 H new ATOM 0 HA HIS A 83 9.985 2.885 -1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.339 5.318 -2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.012 5.530 -1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.949 4.405 -4.736 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.045 4.131 -5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.602 4.036 -6.647 1.00 0.00 H new ATOM 1323 N LEU A 84 10.569 3.142 0.712 1.00 0.00 N ATOM 1324 CA LEU A 84 10.986 3.292 2.095 1.00 0.00 C ATOM 1325 C LEU A 84 12.367 3.949 2.139 1.00 0.00 C ATOM 1326 O LEU A 84 13.141 3.838 1.189 1.00 0.00 O ATOM 1327 CB LEU A 84 10.922 1.947 2.823 1.00 0.00 C ATOM 1328 CG LEU A 84 9.525 1.466 3.221 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.005 0.418 2.234 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.512 0.953 4.662 1.00 0.00 C ATOM 0 H LEU A 84 11.119 2.475 0.170 1.00 0.00 H new ATOM 0 HA LEU A 84 10.302 3.951 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.378 1.189 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.532 2.014 3.724 1.00 0.00 H new ATOM 0 HG LEU A 84 8.845 2.316 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.011 0.092 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.954 0.852 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.680 -0.438 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.508 0.617 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.209 0.120 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.811 1.755 5.337 1.00 0.00 H new ATOM 1342 N LYS A 85 12.634 4.619 3.250 1.00 0.00 N ATOM 1343 CA LYS A 85 13.908 5.294 3.430 1.00 0.00 C ATOM 1344 C LYS A 85 14.013 5.802 4.869 1.00 0.00 C ATOM 1345 O LYS A 85 13.247 6.673 5.280 1.00 0.00 O ATOM 1346 CB LYS A 85 14.087 6.389 2.376 1.00 0.00 C ATOM 1347 CG LYS A 85 12.952 7.412 2.449 1.00 0.00 C ATOM 1348 CD LYS A 85 12.827 8.187 1.136 1.00 0.00 C ATOM 1349 CE LYS A 85 13.490 9.561 1.246 1.00 0.00 C ATOM 1350 NZ LYS A 85 13.480 10.248 -0.066 1.00 0.00 N ATOM 0 H LYS A 85 11.989 4.709 4.035 1.00 0.00 H new ATOM 0 HA LYS A 85 14.733 4.598 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.043 6.890 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.114 5.941 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.013 6.903 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.136 8.106 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.290 7.619 0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.775 8.306 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.965 10.167 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.516 9.449 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.934 11.179 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.001 9.676 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.498 10.372 -0.386 1.00 0.00 H new ATOM 1364 N GLU A 86 14.966 5.237 5.595 1.00 0.00 N ATOM 1365 CA GLU A 86 15.181 5.623 6.979 1.00 0.00 C ATOM 1366 C GLU A 86 15.618 7.087 7.061 1.00 0.00 C ATOM 1367 O GLU A 86 16.404 7.551 6.237 1.00 0.00 O ATOM 1368 CB GLU A 86 16.206 4.707 7.651 1.00 0.00 C ATOM 1369 CG GLU A 86 15.824 4.432 9.107 1.00 0.00 C ATOM 1370 CD GLU A 86 16.892 4.966 10.063 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.610 5.901 9.648 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.967 4.427 11.189 1.00 0.00 O ATOM 0 H GLU A 86 15.598 4.515 5.251 1.00 0.00 H new ATOM 0 HA GLU A 86 14.238 5.515 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.272 3.766 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.193 5.168 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.865 4.899 9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.699 3.360 9.258 1.00 0.00 H new ATOM 1379 N GLU A 87 15.088 7.774 8.062 1.00 0.00 N ATOM 1380 CA GLU A 87 15.413 9.176 8.263 1.00 0.00 C ATOM 1381 C GLU A 87 16.201 9.358 9.562 1.00 0.00 C ATOM 1382 O GLU A 87 16.651 8.382 10.161 1.00 0.00 O ATOM 1383 CB GLU A 87 14.149 10.037 8.263 1.00 0.00 C ATOM 1384 CG GLU A 87 14.267 11.184 7.257 1.00 0.00 C ATOM 1385 CD GLU A 87 14.528 12.513 7.969 1.00 0.00 C ATOM 1386 OE1 GLU A 87 13.638 12.926 8.745 1.00 0.00 O ATOM 1387 OE2 GLU A 87 15.611 13.087 7.722 1.00 0.00 O ATOM 0 H GLU A 87 14.435 7.386 8.743 1.00 0.00 H new ATOM 0 HA GLU A 87 16.038 9.506 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.285 9.420 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.979 10.440 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.077 10.977 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.350 11.255 6.672 1.00 0.00 H new ATOM 1394 N GLU A 88 16.343 10.614 9.959 1.00 0.00 N ATOM 1395 CA GLU A 88 17.069 10.936 11.176 1.00 0.00 C ATOM 1396 C GLU A 88 16.667 9.981 12.302 1.00 0.00 C ATOM 1397 O GLU A 88 17.419 9.072 12.649 1.00 0.00 O ATOM 1398 CB GLU A 88 16.837 12.393 11.583 1.00 0.00 C ATOM 1399 CG GLU A 88 17.790 13.328 10.836 1.00 0.00 C ATOM 1400 CD GLU A 88 18.542 14.237 11.810 1.00 0.00 C ATOM 1401 OE1 GLU A 88 17.855 14.879 12.633 1.00 0.00 O ATOM 1402 OE2 GLU A 88 19.788 14.269 11.710 1.00 0.00 O ATOM 0 H GLU A 88 15.968 11.421 9.460 1.00 0.00 H new ATOM 0 HA GLU A 88 18.135 10.812 10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.805 12.674 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.983 12.502 12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.503 12.740 10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.228 13.935 10.127 1.00 0.00 H new ATOM 1409 N ASN A 89 15.481 10.221 12.842 1.00 0.00 N ATOM 1410 CA ASN A 89 14.970 9.394 13.922 1.00 0.00 C ATOM 1411 C ASN A 89 13.567 8.902 13.561 1.00 0.00 C ATOM 1412 O ASN A 89 12.604 9.182 14.274 1.00 0.00 O ATOM 1413 CB ASN A 89 14.871 10.189 15.226 1.00 0.00 C ATOM 1414 CG ASN A 89 16.225 10.248 15.936 1.00 0.00 C ATOM 1415 OD1 ASN A 89 17.153 9.522 15.620 1.00 0.00 O ATOM 1416 ND2 ASN A 89 16.285 11.151 16.910 1.00 0.00 N ATOM 0 H ASN A 89 14.860 10.976 12.552 1.00 0.00 H new ATOM 0 HA ASN A 89 15.656 8.559 14.061 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.523 11.200 15.014 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.132 9.728 15.882 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.146 11.268 17.444 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.470 11.727 17.123 1.00 0.00 H new ATOM 1423 N GLY A 90 13.495 8.176 12.455 1.00 0.00 N ATOM 1424 CA GLY A 90 12.226 7.642 11.991 1.00 0.00 C ATOM 1425 C GLY A 90 12.367 7.026 10.598 1.00 0.00 C ATOM 1426 O GLY A 90 13.431 7.104 9.985 1.00 0.00 O ATOM 0 H GLY A 90 14.295 7.945 11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.867 6.888 12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.480 8.436 11.967 1.00 0.00 H new ATOM 1430 N THR A 91 11.278 6.427 10.138 1.00 0.00 N ATOM 1431 CA THR A 91 11.267 5.798 8.828 1.00 0.00 C ATOM 1432 C THR A 91 10.278 6.509 7.903 1.00 0.00 C ATOM 1433 O THR A 91 9.191 6.896 8.330 1.00 0.00 O ATOM 1434 CB THR A 91 10.959 4.312 9.020 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.032 3.836 9.829 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.090 3.514 7.721 1.00 0.00 C ATOM 0 H THR A 91 10.397 6.364 10.649 1.00 0.00 H new ATOM 0 HA THR A 91 12.238 5.883 8.340 1.00 0.00 H new ATOM 0 HB THR A 91 9.949 4.199 9.415 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.732 3.761 10.759 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.861 2.466 7.913 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.394 3.908 6.980 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.109 3.599 7.343 1.00 0.00 H new ATOM 1444 N ILE A 92 10.689 6.660 6.653 1.00 0.00 N ATOM 1445 CA ILE A 92 9.852 7.318 5.663 1.00 0.00 C ATOM 1446 C ILE A 92 9.175 6.260 4.790 1.00 0.00 C ATOM 1447 O ILE A 92 9.811 5.292 4.375 1.00 0.00 O ATOM 1448 CB ILE A 92 10.666 8.342 4.870 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.239 9.420 5.791 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.834 8.941 3.734 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.167 9.955 6.743 1.00 0.00 C ATOM 0 H ILE A 92 11.591 6.338 6.302 1.00 0.00 H new ATOM 0 HA ILE A 92 9.058 7.885 6.150 1.00 0.00 H new ATOM 0 HB ILE A 92 11.512 7.827 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.068 9.009 6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.641 10.238 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.436 9.666 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.517 8.147 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.956 9.437 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.601 10.720 7.387 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.350 10.388 6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.785 9.139 7.356 1.00 0.00 H new ATOM 1463 N PHE A 93 7.893 6.479 4.537 1.00 0.00 N ATOM 1464 CA PHE A 93 7.123 5.557 3.720 1.00 0.00 C ATOM 1465 C PHE A 93 6.289 6.309 2.682 1.00 0.00 C ATOM 1466 O PHE A 93 5.415 7.100 3.036 1.00 0.00 O ATOM 1467 CB PHE A 93 6.183 4.803 4.663 1.00 0.00 C ATOM 1468 CG PHE A 93 5.550 3.555 4.044 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.476 3.677 3.218 1.00 0.00 C ATOM 1470 CD2 PHE A 93 6.060 2.325 4.319 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.888 2.519 2.643 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.473 1.168 3.744 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.399 1.289 2.918 1.00 0.00 C ATOM 0 H PHE A 93 7.368 7.282 4.884 1.00 0.00 H new ATOM 0 HA PHE A 93 7.793 4.882 3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.737 4.512 5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.390 5.478 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.071 4.654 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.912 2.228 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.035 2.615 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.879 0.191 3.962 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.952 0.408 2.481 1.00 0.00 H new ATOM 1483 N THR A 94 6.587 6.037 1.420 1.00 0.00 N ATOM 1484 CA THR A 94 5.875 6.679 0.328 1.00 0.00 C ATOM 1485 C THR A 94 5.149 5.634 -0.522 1.00 0.00 C ATOM 1486 O THR A 94 5.753 4.655 -0.959 1.00 0.00 O ATOM 1487 CB THR A 94 6.881 7.515 -0.466 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.191 8.601 0.402 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.251 8.184 -1.689 1.00 0.00 C ATOM 0 H THR A 94 7.312 5.381 1.129 1.00 0.00 H new ATOM 0 HA THR A 94 5.098 7.347 0.701 1.00 0.00 H new ATOM 0 HB THR A 94 7.708 6.881 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.839 9.193 -0.033 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.008 8.765 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.850 7.420 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.446 8.845 -1.368 1.00 0.00 H new ATOM 1497 N ILE A 95 3.864 5.877 -0.731 1.00 0.00 N ATOM 1498 CA ILE A 95 3.049 4.970 -1.521 1.00 0.00 C ATOM 1499 C ILE A 95 2.697 5.635 -2.853 1.00 0.00 C ATOM 1500 O ILE A 95 2.419 6.833 -2.898 1.00 0.00 O ATOM 1501 CB ILE A 95 1.829 4.511 -0.721 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.696 4.072 -1.651 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.377 5.595 0.260 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.023 5.282 -2.250 1.00 0.00 C ATOM 0 H ILE A 95 3.367 6.690 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 95 3.607 4.063 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 95 2.116 3.641 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.098 3.451 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.016 3.459 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.508 5.243 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.187 5.817 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.114 6.498 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.823 4.941 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.445 5.888 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.686 5.880 -2.822 1.00 0.00 H new ATOM 1516 N VAL A 96 2.719 4.830 -3.905 1.00 0.00 N ATOM 1517 CA VAL A 96 2.405 5.326 -5.234 1.00 0.00 C ATOM 1518 C VAL A 96 1.424 4.368 -5.913 1.00 0.00 C ATOM 1519 O VAL A 96 1.692 3.173 -6.020 1.00 0.00 O ATOM 1520 CB VAL A 96 3.693 5.529 -6.034 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.387 6.029 -7.448 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.645 6.483 -5.309 1.00 0.00 C ATOM 0 H VAL A 96 2.950 3.837 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 96 1.919 6.300 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 96 4.189 4.562 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.320 6.165 -7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.766 5.298 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.858 6.980 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.552 6.610 -5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.160 7.450 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.901 6.069 -4.334 1.00 0.00 H new ATOM 1532 N HIS A 97 0.307 4.930 -6.353 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.715 4.140 -7.018 1.00 0.00 C ATOM 1534 C HIS A 97 -1.080 4.793 -8.353 1.00 0.00 C ATOM 1535 O HIS A 97 -1.318 5.998 -8.414 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.927 3.941 -6.105 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.696 2.669 -6.375 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.016 2.498 -5.997 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.317 1.512 -6.989 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.404 1.287 -6.371 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.350 0.678 -6.985 1.00 0.00 N ATOM 0 H HIS A 97 0.088 5.922 -6.262 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.328 3.144 -7.234 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.591 3.938 -5.068 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.599 4.791 -6.220 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.592 3.187 -5.513 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.342 1.309 -7.407 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.383 0.858 -6.216 1.00 0.00 H new ATOM 1549 N SER A 98 -1.111 3.968 -9.389 1.00 0.00 N ATOM 1550 CA SER A 98 -1.442 4.449 -10.719 1.00 0.00 C ATOM 1551 C SER A 98 -2.229 3.381 -11.482 1.00 0.00 C ATOM 1552 O SER A 98 -2.148 2.197 -11.160 1.00 0.00 O ATOM 1553 CB SER A 98 -0.181 4.834 -11.496 1.00 0.00 C ATOM 1554 OG SER A 98 0.707 5.627 -10.712 1.00 0.00 O ATOM 0 H SER A 98 -0.912 2.969 -9.334 1.00 0.00 H new ATOM 0 HA SER A 98 -2.059 5.341 -10.615 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.333 3.930 -11.824 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.462 5.384 -12.394 1.00 0.00 H new ATOM 0 HG SER A 98 1.500 5.851 -11.242 1.00 0.00 H new ATOM 1560 N GLY A 99 -2.974 3.839 -12.478 1.00 0.00 N ATOM 1561 CA GLY A 99 -3.775 2.937 -13.288 1.00 0.00 C ATOM 1562 C GLY A 99 -5.260 3.296 -13.202 1.00 0.00 C ATOM 1563 O GLY A 99 -6.066 2.502 -12.719 1.00 0.00 O ATOM 0 H GLY A 99 -3.040 4.822 -12.742 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.445 2.984 -14.326 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.625 1.911 -12.952 1.00 0.00 H new ATOM 1567 N TRP A 100 -5.576 4.491 -13.678 1.00 0.00 N ATOM 1568 CA TRP A 100 -6.949 4.964 -13.661 1.00 0.00 C ATOM 1569 C TRP A 100 -7.313 5.413 -15.078 1.00 0.00 C ATOM 1570 O TRP A 100 -6.491 5.330 -15.989 1.00 0.00 O ATOM 1571 CB TRP A 100 -7.136 6.067 -12.618 1.00 0.00 C ATOM 1572 CG TRP A 100 -6.745 5.654 -11.198 1.00 0.00 C ATOM 1573 CD1 TRP A 100 -5.544 5.753 -10.611 1.00 0.00 C ATOM 1574 CD2 TRP A 100 -7.612 5.069 -10.203 1.00 0.00 C ATOM 1575 NE1 TRP A 100 -5.573 5.276 -9.316 1.00 0.00 N ATOM 1576 CE2 TRP A 100 -6.871 4.847 -9.060 1.00 0.00 C ATOM 1577 CE3 TRP A 100 -8.977 4.738 -10.267 1.00 0.00 C ATOM 1578 CZ2 TRP A 100 -7.407 4.286 -7.895 1.00 0.00 C ATOM 1579 CZ3 TRP A 100 -9.498 4.178 -9.094 1.00 0.00 C ATOM 1580 CH2 TRP A 100 -8.765 3.948 -7.936 1.00 0.00 C ATOM 0 H TRP A 100 -4.904 5.146 -14.078 1.00 0.00 H new ATOM 0 HA TRP A 100 -7.628 4.165 -13.364 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -6.542 6.933 -12.910 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -8.180 6.381 -12.620 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.664 6.155 -11.091 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.787 5.244 -8.666 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -9.576 4.903 -11.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -6.806 4.123 -7.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -10.543 3.906 -9.089 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -9.241 3.510 -7.071 1.00 0.00 H new ATOM 1591 N LYS A 101 -8.545 5.878 -15.219 1.00 0.00 N ATOM 1592 CA LYS A 101 -9.027 6.341 -16.509 1.00 0.00 C ATOM 1593 C LYS A 101 -9.367 7.830 -16.419 1.00 0.00 C ATOM 1594 O LYS A 101 -9.040 8.485 -15.431 1.00 0.00 O ATOM 1595 CB LYS A 101 -10.192 5.472 -16.989 1.00 0.00 C ATOM 1596 CG LYS A 101 -9.755 4.016 -17.163 1.00 0.00 C ATOM 1597 CD LYS A 101 -10.905 3.159 -17.695 1.00 0.00 C ATOM 1598 CE LYS A 101 -10.401 1.788 -18.151 1.00 0.00 C ATOM 1599 NZ LYS A 101 -10.217 1.766 -19.620 1.00 0.00 N ATOM 0 H LYS A 101 -9.224 5.944 -14.461 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.249 6.237 -17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.011 5.526 -16.271 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.572 5.857 -17.935 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.911 3.966 -17.851 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.412 3.619 -16.208 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.659 3.033 -16.918 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.388 3.669 -18.529 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.457 1.558 -17.657 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.112 1.016 -17.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.875 0.829 -19.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.125 1.964 -20.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.522 2.489 -19.894 1.00 0.00 H new ATOM 1613 N GLN A 102 -10.019 8.320 -17.463 1.00 0.00 N ATOM 1614 CA GLN A 102 -10.406 9.720 -17.513 1.00 0.00 C ATOM 1615 C GLN A 102 -11.318 10.061 -16.333 1.00 0.00 C ATOM 1616 O GLN A 102 -11.887 9.169 -15.706 1.00 0.00 O ATOM 1617 CB GLN A 102 -11.083 10.053 -18.844 1.00 0.00 C ATOM 1618 CG GLN A 102 -12.328 9.189 -19.058 1.00 0.00 C ATOM 1619 CD GLN A 102 -12.945 9.447 -20.434 1.00 0.00 C ATOM 1620 OE1 GLN A 102 -12.262 9.547 -21.440 1.00 0.00 O ATOM 1621 NE2 GLN A 102 -14.271 9.551 -20.421 1.00 0.00 N ATOM 0 H GLN A 102 -10.289 7.773 -18.281 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.505 10.329 -17.438 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -11.360 11.107 -18.861 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.381 9.895 -19.663 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -12.064 8.135 -18.966 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -13.062 9.403 -18.281 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -14.781 9.457 -19.543 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.777 9.725 -21.289 1.00 0.00 H new ATOM 1630 N GLY A 103 -11.429 11.354 -16.067 1.00 0.00 N ATOM 1631 CA GLY A 103 -12.262 11.824 -14.973 1.00 0.00 C ATOM 1632 C GLY A 103 -13.718 11.976 -15.419 1.00 0.00 C ATOM 1633 O GLY A 103 -14.217 13.092 -15.553 1.00 0.00 O ATOM 0 H GLY A 103 -10.956 12.091 -16.590 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.204 11.123 -14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.887 12.781 -14.611 1.00 0.00 H new ATOM 1637 N ASP A 104 -14.359 10.837 -15.637 1.00 0.00 N ATOM 1638 CA ASP A 104 -15.747 10.829 -16.065 1.00 0.00 C ATOM 1639 C ASP A 104 -16.261 9.388 -16.090 1.00 0.00 C ATOM 1640 O ASP A 104 -17.329 9.097 -15.553 1.00 0.00 O ATOM 1641 CB ASP A 104 -15.892 11.407 -17.475 1.00 0.00 C ATOM 1642 CG ASP A 104 -17.215 12.127 -17.745 1.00 0.00 C ATOM 1643 OD1 ASP A 104 -18.101 12.036 -16.868 1.00 0.00 O ATOM 1644 OD2 ASP A 104 -17.310 12.753 -18.823 1.00 0.00 O ATOM 0 H ASP A 104 -13.942 9.913 -15.525 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.319 11.438 -15.365 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.073 12.105 -17.652 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.782 10.597 -18.197 1.00 0.00 H new ATOM 1649 N THR A 105 -15.477 8.525 -16.718 1.00 0.00 N ATOM 1650 CA THR A 105 -15.840 7.121 -16.819 1.00 0.00 C ATOM 1651 C THR A 105 -16.327 6.597 -15.467 1.00 0.00 C ATOM 1652 O THR A 105 -16.092 7.222 -14.434 1.00 0.00 O ATOM 1653 CB THR A 105 -14.631 6.359 -17.366 1.00 0.00 C ATOM 1654 OG1 THR A 105 -13.512 7.010 -16.772 1.00 0.00 O ATOM 1655 CG2 THR A 105 -14.434 6.575 -18.868 1.00 0.00 C ATOM 0 H THR A 105 -14.592 8.770 -17.162 1.00 0.00 H new ATOM 0 HA THR A 105 -16.673 6.976 -17.507 1.00 0.00 H new ATOM 0 HB THR A 105 -14.752 5.295 -17.165 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.686 6.688 -17.190 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.563 6.013 -19.205 1.00 0.00 H new ATOM 0 HG22 THR A 105 -15.318 6.231 -19.404 1.00 0.00 H new ATOM 0 HG23 THR A 105 -14.280 7.636 -19.066 1.00 0.00 H new ATOM 1663 N LYS A 106 -16.996 5.455 -15.517 1.00 0.00 N ATOM 1664 CA LYS A 106 -17.519 4.840 -14.309 1.00 0.00 C ATOM 1665 C LYS A 106 -16.988 3.409 -14.200 1.00 0.00 C ATOM 1666 O LYS A 106 -16.723 2.763 -15.212 1.00 0.00 O ATOM 1667 CB LYS A 106 -19.045 4.934 -14.276 1.00 0.00 C ATOM 1668 CG LYS A 106 -19.618 4.157 -13.089 1.00 0.00 C ATOM 1669 CD LYS A 106 -21.131 3.978 -13.229 1.00 0.00 C ATOM 1670 CE LYS A 106 -21.884 4.976 -12.347 1.00 0.00 C ATOM 1671 NZ LYS A 106 -22.315 6.148 -13.142 1.00 0.00 N ATOM 0 H LYS A 106 -17.188 4.939 -16.376 1.00 0.00 H new ATOM 0 HA LYS A 106 -17.172 5.378 -13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -19.347 5.979 -14.211 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -19.457 4.541 -15.205 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -19.137 3.181 -13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -19.395 4.686 -12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -21.422 4.115 -14.270 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -21.408 2.961 -12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -22.753 4.492 -11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -21.244 5.301 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -22.824 6.815 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.481 6.618 -13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -22.943 5.835 -13.910 1.00 0.00 H new ATOM 1685 N VAL A 107 -16.850 2.956 -12.962 1.00 0.00 N ATOM 1686 CA VAL A 107 -16.356 1.613 -12.708 1.00 0.00 C ATOM 1687 C VAL A 107 -17.512 0.618 -12.829 1.00 0.00 C ATOM 1688 O VAL A 107 -18.289 0.448 -11.892 1.00 0.00 O ATOM 1689 CB VAL A 107 -15.661 1.560 -11.346 1.00 0.00 C ATOM 1690 CG1 VAL A 107 -15.142 0.152 -11.050 1.00 0.00 C ATOM 1691 CG2 VAL A 107 -14.533 2.590 -11.265 1.00 0.00 C ATOM 0 H VAL A 107 -17.072 3.495 -12.125 1.00 0.00 H new ATOM 0 HA VAL A 107 -15.608 1.334 -13.450 1.00 0.00 H new ATOM 0 HB VAL A 107 -16.398 1.812 -10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.652 0.142 -10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.976 -0.549 -11.044 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.427 -0.141 -11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -14.056 2.531 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.796 2.384 -12.041 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -14.942 3.590 -11.409 1.00 0.00 H new ATOM 1701 N GLU A 108 -17.588 -0.013 -13.992 1.00 0.00 N ATOM 1702 CA GLU A 108 -18.635 -0.987 -14.247 1.00 0.00 C ATOM 1703 C GLU A 108 -18.389 -2.258 -13.432 1.00 0.00 C ATOM 1704 O GLU A 108 -18.188 -3.333 -13.996 1.00 0.00 O ATOM 1705 CB GLU A 108 -18.736 -1.305 -15.741 1.00 0.00 C ATOM 1706 CG GLU A 108 -20.156 -1.733 -16.116 1.00 0.00 C ATOM 1707 CD GLU A 108 -20.603 -1.068 -17.419 1.00 0.00 C ATOM 1708 OE1 GLU A 108 -20.200 0.096 -17.629 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -21.339 -1.739 -18.175 1.00 0.00 O ATOM 0 H GLU A 108 -16.942 0.132 -14.768 1.00 0.00 H new ATOM 0 HA GLU A 108 -19.587 -0.557 -13.935 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -18.451 -0.429 -16.323 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -18.034 -2.099 -15.996 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -20.196 -2.817 -16.224 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -20.844 -1.467 -15.313 1.00 0.00 H new ATOM 1716 N LYS A 109 -18.413 -2.093 -12.117 1.00 0.00 N ATOM 1717 CA LYS A 109 -18.195 -3.214 -11.218 1.00 0.00 C ATOM 1718 C LYS A 109 -18.593 -2.807 -9.798 1.00 0.00 C ATOM 1719 O LYS A 109 -19.501 -3.395 -9.212 1.00 0.00 O ATOM 1720 CB LYS A 109 -16.756 -3.720 -11.333 1.00 0.00 C ATOM 1721 CG LYS A 109 -16.596 -5.077 -10.644 1.00 0.00 C ATOM 1722 CD LYS A 109 -15.279 -5.744 -11.046 1.00 0.00 C ATOM 1723 CE LYS A 109 -15.118 -7.100 -10.355 1.00 0.00 C ATOM 1724 NZ LYS A 109 -13.691 -7.491 -10.308 1.00 0.00 N ATOM 0 H LYS A 109 -18.580 -1.200 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 109 -18.828 -4.056 -11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -16.480 -3.807 -12.384 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -16.075 -2.997 -10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.626 -4.945 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -17.432 -5.725 -10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.250 -5.877 -12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.443 -5.096 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.521 -7.050 -9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.691 -7.858 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.599 -8.413 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.318 -7.559 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.152 -6.776 -9.779 1.00 0.00 H new ATOM 1738 N ALA A 110 -17.894 -1.805 -9.286 1.00 0.00 N ATOM 1739 CA ALA A 110 -18.163 -1.314 -7.945 1.00 0.00 C ATOM 1740 C ALA A 110 -19.480 -0.536 -7.946 1.00 0.00 C ATOM 1741 O ALA A 110 -20.428 -0.913 -7.259 1.00 0.00 O ATOM 1742 CB ALA A 110 -16.984 -0.463 -7.467 1.00 0.00 C ATOM 0 H ALA A 110 -17.142 -1.320 -9.775 1.00 0.00 H new ATOM 0 HA ALA A 110 -18.271 -2.144 -7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -17.185 -0.095 -6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.078 -1.069 -7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -16.848 0.382 -8.142 1.00 0.00 H new ATOM 1748 N GLY A 111 -19.498 0.535 -8.726 1.00 0.00 N ATOM 1749 CA GLY A 111 -20.683 1.369 -8.826 1.00 0.00 C ATOM 1750 C GLY A 111 -20.306 2.846 -8.951 1.00 0.00 C ATOM 1751 O GLY A 111 -20.776 3.537 -9.854 1.00 0.00 O ATOM 0 H GLY A 111 -18.710 0.844 -9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -21.273 1.066 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -21.310 1.223 -7.946 1.00 0.00 H new ATOM 1755 N ALA A 112 -19.460 3.288 -8.031 1.00 0.00 N ATOM 1756 CA ALA A 112 -19.014 4.671 -8.027 1.00 0.00 C ATOM 1757 C ALA A 112 -18.192 4.941 -9.289 1.00 0.00 C ATOM 1758 O ALA A 112 -17.790 4.008 -9.983 1.00 0.00 O ATOM 1759 CB ALA A 112 -18.224 4.948 -6.747 1.00 0.00 C ATOM 0 H ALA A 112 -19.072 2.713 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.867 5.350 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -17.889 5.985 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -18.861 4.769 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.358 4.287 -6.704 1.00 0.00 H new ATOM 1765 N GLU A 113 -17.968 6.220 -9.548 1.00 0.00 N ATOM 1766 CA GLU A 113 -17.201 6.625 -10.714 1.00 0.00 C ATOM 1767 C GLU A 113 -15.707 6.646 -10.386 1.00 0.00 C ATOM 1768 O GLU A 113 -15.324 6.653 -9.217 1.00 0.00 O ATOM 1769 CB GLU A 113 -17.668 7.987 -11.232 1.00 0.00 C ATOM 1770 CG GLU A 113 -19.125 7.927 -11.696 1.00 0.00 C ATOM 1771 CD GLU A 113 -19.949 9.048 -11.060 1.00 0.00 C ATOM 1772 OE1 GLU A 113 -19.608 10.222 -11.321 1.00 0.00 O ATOM 1773 OE2 GLU A 113 -20.902 8.706 -10.327 1.00 0.00 O ATOM 0 H GLU A 113 -18.304 6.990 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 113 -17.369 5.895 -11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -17.564 8.734 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -17.032 8.303 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -19.168 8.010 -12.782 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.555 6.961 -11.433 1.00 0.00 H new ATOM 1780 N SER A 114 -14.903 6.655 -11.439 1.00 0.00 N ATOM 1781 CA SER A 114 -13.459 6.675 -11.278 1.00 0.00 C ATOM 1782 C SER A 114 -13.054 7.803 -10.327 1.00 0.00 C ATOM 1783 O SER A 114 -12.113 7.657 -9.549 1.00 0.00 O ATOM 1784 CB SER A 114 -12.756 6.839 -12.626 1.00 0.00 C ATOM 1785 OG SER A 114 -11.337 6.815 -12.496 1.00 0.00 O ATOM 0 H SER A 114 -15.224 6.649 -12.407 1.00 0.00 H new ATOM 0 HA SER A 114 -13.150 5.721 -10.852 1.00 0.00 H new ATOM 0 HB2 SER A 114 -13.072 6.041 -13.299 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.062 7.780 -13.082 1.00 0.00 H new ATOM 0 HG SER A 114 -10.926 6.921 -13.379 1.00 0.00 H new ATOM 1791 N ALA A 115 -13.785 8.904 -10.421 1.00 0.00 N ATOM 1792 CA ALA A 115 -13.514 10.057 -9.579 1.00 0.00 C ATOM 1793 C ALA A 115 -13.831 9.706 -8.124 1.00 0.00 C ATOM 1794 O ALA A 115 -12.979 9.845 -7.249 1.00 0.00 O ATOM 1795 CB ALA A 115 -14.323 11.256 -10.079 1.00 0.00 C ATOM 0 H ALA A 115 -14.565 9.022 -11.068 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.460 10.331 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.120 12.121 -9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.040 11.483 -11.107 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.386 11.020 -10.039 1.00 0.00 H new ATOM 1801 N VAL A 116 -15.060 9.258 -7.911 1.00 0.00 N ATOM 1802 CA VAL A 116 -15.499 8.886 -6.577 1.00 0.00 C ATOM 1803 C VAL A 116 -14.564 7.813 -6.017 1.00 0.00 C ATOM 1804 O VAL A 116 -14.107 7.915 -4.879 1.00 0.00 O ATOM 1805 CB VAL A 116 -16.963 8.443 -6.613 1.00 0.00 C ATOM 1806 CG1 VAL A 116 -17.394 7.861 -5.265 1.00 0.00 C ATOM 1807 CG2 VAL A 116 -17.876 9.598 -7.029 1.00 0.00 C ATOM 0 H VAL A 116 -15.765 9.144 -8.640 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.448 9.743 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.056 7.657 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.439 7.554 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.774 6.997 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.277 8.617 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.911 9.256 -7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.776 10.416 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.592 9.946 -8.022 1.00 0.00 H new ATOM 1817 N VAL A 117 -14.306 6.809 -6.841 1.00 0.00 N ATOM 1818 CA VAL A 117 -13.433 5.718 -6.442 1.00 0.00 C ATOM 1819 C VAL A 117 -12.020 6.258 -6.216 1.00 0.00 C ATOM 1820 O VAL A 117 -11.392 5.959 -5.201 1.00 0.00 O ATOM 1821 CB VAL A 117 -13.485 4.598 -7.483 1.00 0.00 C ATOM 1822 CG1 VAL A 117 -12.338 3.606 -7.280 1.00 0.00 C ATOM 1823 CG2 VAL A 117 -14.838 3.885 -7.455 1.00 0.00 C ATOM 0 H VAL A 117 -14.686 6.728 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.770 5.284 -5.501 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.366 5.051 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.399 2.820 -8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.385 4.127 -7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.412 3.163 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.848 3.094 -8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -15.001 3.452 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.631 4.601 -7.672 1.00 0.00 H new ATOM 1833 N HIS A 118 -11.560 7.045 -7.178 1.00 0.00 N ATOM 1834 CA HIS A 118 -10.233 7.630 -7.096 1.00 0.00 C ATOM 1835 C HIS A 118 -10.038 8.272 -5.721 1.00 0.00 C ATOM 1836 O HIS A 118 -9.051 8.001 -5.039 1.00 0.00 O ATOM 1837 CB HIS A 118 -9.999 8.611 -8.246 1.00 0.00 C ATOM 1838 CG HIS A 118 -8.898 9.611 -7.987 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -9.105 10.979 -8.014 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -7.578 9.427 -7.696 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -7.955 11.581 -7.750 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -7.010 10.618 -7.554 1.00 0.00 N ATOM 0 H HIS A 118 -12.083 7.291 -8.018 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.481 6.848 -7.203 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -9.759 8.047 -9.147 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.926 9.150 -8.444 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -7.080 8.474 -7.598 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -7.794 12.648 -7.699 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -6.028 10.785 -7.334 1.00 0.00 H new ATOM 1850 N GLU A 119 -10.997 9.110 -5.353 1.00 0.00 N ATOM 1851 CA GLU A 119 -10.943 9.792 -4.072 1.00 0.00 C ATOM 1852 C GLU A 119 -11.154 8.795 -2.931 1.00 0.00 C ATOM 1853 O GLU A 119 -10.405 8.796 -1.955 1.00 0.00 O ATOM 1854 CB GLU A 119 -11.972 10.923 -4.010 1.00 0.00 C ATOM 1855 CG GLU A 119 -11.538 12.108 -4.875 1.00 0.00 C ATOM 1856 CD GLU A 119 -12.352 13.359 -4.539 1.00 0.00 C ATOM 1857 OE1 GLU A 119 -12.523 13.617 -3.328 1.00 0.00 O ATOM 1858 OE2 GLU A 119 -12.785 14.030 -5.501 1.00 0.00 O ATOM 0 H GLU A 119 -11.815 9.332 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.955 10.238 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.941 10.557 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.098 11.249 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.478 12.307 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.665 11.859 -5.929 1.00 0.00 H new ATOM 1865 N ARG A 120 -12.178 7.969 -3.090 1.00 0.00 N ATOM 1866 CA ARG A 120 -12.497 6.969 -2.086 1.00 0.00 C ATOM 1867 C ARG A 120 -11.263 6.122 -1.770 1.00 0.00 C ATOM 1868 O ARG A 120 -10.757 6.148 -0.649 1.00 0.00 O ATOM 1869 CB ARG A 120 -13.628 6.055 -2.558 1.00 0.00 C ATOM 1870 CG ARG A 120 -14.963 6.467 -1.934 1.00 0.00 C ATOM 1871 CD ARG A 120 -15.965 5.310 -1.969 1.00 0.00 C ATOM 1872 NE ARG A 120 -17.238 5.761 -2.573 1.00 0.00 N ATOM 1873 CZ ARG A 120 -18.090 6.611 -1.983 1.00 0.00 C ATOM 1874 NH1 ARG A 120 -17.809 7.108 -0.771 1.00 0.00 N ATOM 1875 NH2 ARG A 120 -19.222 6.965 -2.606 1.00 0.00 N ATOM 0 H ARG A 120 -12.798 7.972 -3.900 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.822 7.494 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.703 6.095 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -13.401 5.023 -2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.804 6.784 -0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.371 7.323 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -15.554 4.480 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -16.143 4.941 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 120 -17.483 5.403 -3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -16.947 6.840 -0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -18.457 7.755 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -19.435 6.588 -3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -19.870 7.612 -2.157 1.00 0.00 H new ATOM 1889 N MET A 121 -10.813 5.390 -2.779 1.00 0.00 N ATOM 1890 CA MET A 121 -9.648 4.536 -2.623 1.00 0.00 C ATOM 1891 C MET A 121 -8.429 5.347 -2.179 1.00 0.00 C ATOM 1892 O MET A 121 -7.598 4.857 -1.416 1.00 0.00 O ATOM 1893 CB MET A 121 -9.343 3.841 -3.952 1.00 0.00 C ATOM 1894 CG MET A 121 -9.631 2.341 -3.866 1.00 0.00 C ATOM 1895 SD MET A 121 -8.341 1.525 -2.940 1.00 0.00 S ATOM 1896 CE MET A 121 -7.892 0.243 -4.098 1.00 0.00 C ATOM 0 H MET A 121 -11.234 5.371 -3.708 1.00 0.00 H new ATOM 0 HA MET A 121 -9.865 3.793 -1.856 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.944 4.285 -4.745 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.298 3.999 -4.218 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.596 2.174 -3.387 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.695 1.916 -4.868 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.130 -0.397 -3.654 1.00 0.00 H new ATOM 0 HE2 MET A 121 -8.772 -0.354 -4.339 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.500 0.696 -5.009 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.362 6.573 -2.675 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.259 7.457 -2.338 1.00 0.00 C ATOM 1908 C ASP A 122 -7.297 7.765 -0.840 1.00 0.00 C ATOM 1909 O ASP A 122 -6.300 7.589 -0.141 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.363 8.782 -3.096 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.481 9.908 -2.554 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -6.946 10.592 -1.617 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.362 10.061 -3.089 1.00 0.00 O ATOM 0 H ASP A 122 -9.053 6.976 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.330 6.957 -2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.103 8.607 -4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.401 9.113 -3.078 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.457 8.220 -0.391 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.638 8.554 1.011 1.00 0.00 C ATOM 1920 C ARG A 123 -8.181 7.393 1.897 1.00 0.00 C ATOM 1921 O ARG A 123 -7.270 7.549 2.709 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.103 8.874 1.317 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.397 10.359 1.097 1.00 0.00 C ATOM 1924 CD ARG A 123 -11.127 10.958 2.301 1.00 0.00 C ATOM 1925 NE ARG A 123 -12.247 11.809 1.842 1.00 0.00 N ATOM 1926 CZ ARG A 123 -12.093 13.028 1.307 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -10.866 13.546 1.161 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -13.167 13.730 0.919 1.00 0.00 N ATOM 0 H ARG A 123 -9.281 8.365 -0.974 1.00 0.00 H new ATOM 0 HA ARG A 123 -8.034 9.436 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.751 8.273 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.330 8.603 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.464 10.897 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.004 10.484 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.504 10.161 2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.434 11.548 2.901 1.00 0.00 H new ATOM 0 HE ARG A 123 -13.195 11.445 1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -10.049 13.012 1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -10.749 14.474 0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -14.101 13.336 1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -13.050 14.658 0.512 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.834 6.256 1.710 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.506 5.069 2.482 1.00 0.00 C ATOM 1944 C GLY A 124 -7.031 4.698 2.316 1.00 0.00 C ATOM 1945 O GLY A 124 -6.422 4.140 3.228 1.00 0.00 O ATOM 0 H GLY A 124 -9.589 6.131 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.724 5.244 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.132 4.237 2.161 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.500 5.022 1.147 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.108 4.729 0.850 1.00 0.00 C ATOM 1951 C TRP A 125 -4.242 5.456 1.881 1.00 0.00 C ATOM 1952 O TRP A 125 -3.347 4.859 2.476 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.764 5.106 -0.592 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.481 3.907 -1.499 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.147 3.528 -2.598 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.423 2.939 -1.338 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.598 2.391 -3.155 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.516 2.021 -2.365 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.419 2.841 -0.358 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -2.637 0.941 -2.510 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.549 1.756 -0.517 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -1.630 0.824 -1.545 1.00 0.00 C ATOM 0 H TRP A 125 -7.009 5.485 0.394 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.914 3.659 0.925 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.589 5.680 -1.013 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.891 5.759 -0.587 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.006 4.047 -2.998 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.926 1.910 -3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.327 3.547 0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -2.731 0.236 -3.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -0.760 1.635 0.210 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -0.919 0.013 -1.599 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.539 6.735 2.060 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.798 7.550 3.008 1.00 0.00 C ATOM 1975 C HIS A 126 -4.086 7.069 4.432 1.00 0.00 C ATOM 1976 O HIS A 126 -3.163 6.820 5.205 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.110 9.034 2.809 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.170 9.963 3.540 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.823 9.691 3.700 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -3.397 11.161 4.150 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -1.273 10.688 4.379 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -2.250 11.597 4.657 1.00 0.00 N ATOM 0 H HIS A 126 -5.283 7.227 1.565 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.728 7.437 2.832 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.075 9.262 1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.129 9.228 3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -4.348 11.669 4.211 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.234 10.766 4.662 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.121 12.469 5.170 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.371 6.953 4.734 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.792 6.506 6.051 1.00 0.00 C ATOM 1992 C ASP A 127 -5.127 5.165 6.367 1.00 0.00 C ATOM 1993 O ASP A 127 -4.798 4.887 7.519 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.308 6.307 6.107 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.135 7.513 5.656 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.631 8.644 5.830 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.252 7.277 5.148 1.00 0.00 O ATOM 0 H ASP A 127 -6.134 7.161 4.090 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.502 7.268 6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.570 5.452 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.589 6.055 7.130 1.00 0.00 H new ATOM 2002 N LEU A 128 -4.950 4.368 5.323 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.330 3.063 5.474 1.00 0.00 C ATOM 2004 C LEU A 128 -2.866 3.242 5.880 1.00 0.00 C ATOM 2005 O LEU A 128 -2.425 2.690 6.887 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.519 2.230 4.205 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.741 0.913 4.145 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.184 -0.037 5.259 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -3.859 0.270 2.762 1.00 0.00 C ATOM 0 H LEU A 128 -5.225 4.601 4.369 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.816 2.501 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.580 2.007 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.231 2.839 3.348 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.686 1.131 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.616 -0.965 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.006 0.430 6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.247 -0.254 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.297 -0.664 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.907 0.067 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.456 0.948 2.010 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.152 4.015 5.075 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.747 4.274 5.338 1.00 0.00 C ATOM 2023 C VAL A 129 -0.616 5.538 6.190 1.00 0.00 C ATOM 2024 O VAL A 129 0.294 6.339 5.982 1.00 0.00 O ATOM 2025 CB VAL A 129 0.025 4.358 4.020 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.408 5.581 3.209 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.535 4.371 4.268 1.00 0.00 C ATOM 0 H VAL A 129 -2.521 4.470 4.240 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.307 3.454 5.905 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.210 3.468 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.156 5.618 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.473 5.512 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.216 6.486 3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.060 4.431 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.796 5.234 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.827 3.457 4.786 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.538 5.678 7.131 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.537 6.831 8.014 1.00 0.00 C ATOM 2039 C ASN A 130 -1.394 6.358 9.462 1.00 0.00 C ATOM 2040 O ASN A 130 -0.404 6.666 10.124 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.847 7.614 7.900 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.640 8.919 7.129 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.348 9.233 6.187 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -1.632 9.660 7.581 1.00 0.00 N ATOM 0 H ASN A 130 -2.291 5.011 7.301 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.706 7.475 7.727 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.597 7.004 7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.232 7.833 8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.413 10.550 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.078 9.338 8.375 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.397 5.618 9.912 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.395 5.100 11.269 1.00 0.00 C ATOM 2053 C GLU A 131 -2.516 3.575 11.255 1.00 0.00 C ATOM 2054 O GLU A 131 -1.870 2.890 12.047 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.515 5.731 12.099 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.887 5.406 11.505 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.527 4.216 12.223 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -4.807 3.212 12.410 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.722 4.339 12.569 1.00 0.00 O ATOM 0 H GLU A 131 -3.217 5.365 9.360 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.447 5.366 11.737 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.463 5.365 13.125 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.379 6.812 12.139 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.538 6.277 11.585 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.784 5.182 10.443 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.348 3.087 10.346 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.563 1.656 10.219 1.00 0.00 C ATOM 2068 C ARG A 132 -2.224 0.930 10.074 1.00 0.00 C ATOM 2069 O ARG A 132 -2.046 -0.164 10.607 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.442 1.336 9.009 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.801 2.031 9.119 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.855 1.085 9.699 1.00 0.00 C ATOM 2073 NE ARG A 132 -8.178 1.747 9.709 1.00 0.00 N ATOM 2074 CZ ARG A 132 -9.232 1.309 10.412 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -9.123 0.206 11.165 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -10.394 1.973 10.361 1.00 0.00 N ATOM 0 H ARG A 132 -3.881 3.658 9.690 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.070 1.315 11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.940 1.655 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.586 0.258 8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.712 2.914 9.752 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.118 2.375 8.135 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.901 0.171 9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.577 0.794 10.712 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.295 2.589 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.238 -0.300 11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.925 -0.128 11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -10.477 2.812 9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -11.196 1.640 10.896 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.316 1.568 9.350 1.00 0.00 N ATOM 2091 CA LEU A 133 0.001 0.996 9.128 1.00 0.00 C ATOM 2092 C LEU A 133 0.895 1.304 10.331 1.00 0.00 C ATOM 2093 O LEU A 133 1.596 0.424 10.829 1.00 0.00 O ATOM 2094 CB LEU A 133 0.577 1.479 7.795 1.00 0.00 C ATOM 2095 CG LEU A 133 2.068 1.216 7.574 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.409 -0.254 7.826 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.505 1.674 6.181 1.00 0.00 C ATOM 0 H LEU A 133 -1.467 2.476 8.910 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.064 -0.089 9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.021 1.003 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.402 2.552 7.713 1.00 0.00 H new ATOM 0 HG LEU A 133 2.629 1.806 8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.475 -0.414 7.662 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.157 -0.515 8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.839 -0.882 7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.569 1.476 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.939 1.130 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.319 2.743 6.075 1.00 0.00 H new ATOM 2109 N ARG A 134 0.841 2.555 10.763 1.00 0.00 N ATOM 2110 CA ARG A 134 1.638 2.990 11.898 1.00 0.00 C ATOM 2111 C ARG A 134 1.359 2.102 13.113 1.00 0.00 C ATOM 2112 O ARG A 134 2.253 1.846 13.917 1.00 0.00 O ATOM 2113 CB ARG A 134 1.334 4.445 12.259 1.00 0.00 C ATOM 2114 CG ARG A 134 2.384 5.001 13.223 1.00 0.00 C ATOM 2115 CD ARG A 134 1.723 5.772 14.368 1.00 0.00 C ATOM 2116 NE ARG A 134 2.676 6.752 14.935 1.00 0.00 N ATOM 2117 CZ ARG A 134 2.323 7.768 15.734 1.00 0.00 C ATOM 2118 NH1 ARG A 134 1.036 7.944 16.065 1.00 0.00 N ATOM 2119 NH2 ARG A 134 3.256 8.608 16.202 1.00 0.00 N ATOM 0 H ARG A 134 0.258 3.282 10.348 1.00 0.00 H new ATOM 0 HA ARG A 134 2.688 2.909 11.617 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.310 5.051 11.353 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.346 4.512 12.714 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.981 4.183 13.627 1.00 0.00 H new ATOM 0 HG3 ARG A 134 3.067 5.658 12.684 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.833 6.286 14.005 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.397 5.079 15.143 1.00 0.00 H new ATOM 0 HE ARG A 134 3.664 6.647 14.703 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.326 7.305 15.709 1.00 0.00 H new ATOM 0 HH12 ARG A 134 0.767 8.717 16.673 1.00 0.00 H new ATOM 0 HH21 ARG A 134 4.235 8.474 15.950 1.00 0.00 H new ATOM 0 HH22 ARG A 134 2.987 9.381 16.810 1.00 0.00 H new ATOM 2133 N GLN A 135 0.115 1.656 13.207 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.293 0.803 14.310 1.00 0.00 C ATOM 2135 C GLN A 135 0.445 -0.536 14.246 1.00 0.00 C ATOM 2136 O GLN A 135 0.397 -1.321 15.192 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.809 0.594 14.310 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.390 0.797 15.710 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.533 -0.185 15.978 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -4.447 -0.345 15.185 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -3.430 -0.832 17.135 1.00 0.00 N ATOM 0 H GLN A 135 -0.624 1.869 12.537 1.00 0.00 H new ATOM 0 HA GLN A 135 -0.028 1.298 15.244 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.276 1.291 13.614 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -2.041 -0.411 13.958 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.607 0.661 16.456 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.753 1.820 15.812 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -2.639 -0.650 17.752 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -4.142 -1.510 17.405 1.00 0.00 H new ATOM 2150 N ILE A 136 1.111 -0.755 13.121 1.00 0.00 N ATOM 2151 CA ILE A 136 1.858 -1.985 12.922 1.00 0.00 C ATOM 2152 C ILE A 136 3.214 -1.872 13.621 1.00 0.00 C ATOM 2153 O ILE A 136 3.805 -2.881 14.004 1.00 0.00 O ATOM 2154 CB ILE A 136 1.960 -2.314 11.431 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.583 -2.283 10.767 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.672 -3.650 11.212 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.391 -3.224 11.479 1.00 0.00 C ATOM 0 H ILE A 136 1.149 -0.102 12.339 1.00 0.00 H new ATOM 0 HA ILE A 136 1.335 -2.827 13.376 1.00 0.00 H new ATOM 0 HB ILE A 136 2.565 -1.544 10.952 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.190 -1.266 10.784 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.674 -2.572 9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.731 -3.860 10.144 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.678 -3.599 11.628 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.115 -4.445 11.708 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.363 -3.183 10.987 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.007 -4.243 11.439 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.498 -2.917 12.519 1.00 0.00 H new ATOM 2169 N VAL A 137 3.668 -0.636 13.767 1.00 0.00 N ATOM 2170 CA VAL A 137 4.943 -0.378 14.414 1.00 0.00 C ATOM 2171 C VAL A 137 4.698 0.298 15.764 1.00 0.00 C ATOM 2172 O VAL A 137 5.537 0.226 16.660 1.00 0.00 O ATOM 2173 CB VAL A 137 5.842 0.445 13.488 1.00 0.00 C ATOM 2174 CG1 VAL A 137 6.218 -0.354 12.238 1.00 0.00 C ATOM 2175 CG2 VAL A 137 5.177 1.770 13.113 1.00 0.00 C ATOM 0 H VAL A 137 3.175 0.198 13.448 1.00 0.00 H new ATOM 0 HA VAL A 137 5.468 -1.313 14.609 1.00 0.00 H new ATOM 0 HB VAL A 137 6.760 0.674 14.029 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.857 0.253 11.597 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.752 -1.258 12.531 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.313 -0.627 11.695 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.837 2.335 12.455 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.236 1.572 12.600 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.984 2.349 14.016 1.00 0.00 H new ATOM 2185 N GLU A 138 3.543 0.940 15.868 1.00 0.00 N ATOM 2186 CA GLU A 138 3.177 1.628 17.094 1.00 0.00 C ATOM 2187 C GLU A 138 2.291 0.732 17.961 1.00 0.00 C ATOM 2188 O GLU A 138 1.604 1.215 18.860 1.00 0.00 O ATOM 2189 CB GLU A 138 2.482 2.957 16.790 1.00 0.00 C ATOM 2190 CG GLU A 138 3.490 4.108 16.757 1.00 0.00 C ATOM 2191 CD GLU A 138 3.333 5.011 17.982 1.00 0.00 C ATOM 2192 OE1 GLU A 138 3.432 4.468 19.103 1.00 0.00 O ATOM 2193 OE2 GLU A 138 3.117 6.223 17.769 1.00 0.00 O ATOM 0 H GLU A 138 2.849 0.998 15.123 1.00 0.00 H new ATOM 0 HA GLU A 138 4.088 1.851 17.649 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.968 2.892 15.831 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.722 3.156 17.546 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.503 3.708 16.724 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.349 4.694 15.849 1.00 0.00 H new TER 2200 GLU A 138