USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 673 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 MET CE :methyl 136:sc= -1.46 (180deg=-2.08!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -132:sc= 0.023 (180deg=0) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.0639 X(o=-0.041,f=-0.15) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 14 THR OG1 : rot 106:sc= -3.94! USER MOD Single : A 15 ASN :FLIP amide:sc= -0.894 F(o=-3.6!,f=-0.89) USER MOD Single : A 19 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.13) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.84 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -65:sc= 1.2 USER MOD Single : A 28 THR OG1 : rot -10:sc= -1.81 USER MOD Single : A 29 THR OG1 : rot 179:sc= 0.678 USER MOD Single : A 34 GLN : amide:sc= -2.87 K(o=-2.9,f=-4.3!) USER MOD Single : A 36 SER OG : rot 78:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.65! C(o=-4.7!,f=-11!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.989 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 160:sc= -0.0981 (180deg=-0.55) USER MOD Single : A 63 GLN : amide:sc= -0.0848 K(o=-0.085,f=-2!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-2.8) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 12.116 12.842 -7.470 1.00 0.00 N ATOM 2 CA LYS A 6 12.133 12.804 -6.012 1.00 0.00 C ATOM 3 C LYS A 6 10.858 12.170 -5.468 1.00 0.00 C ATOM 4 O LYS A 6 9.799 12.799 -5.449 1.00 0.00 O ATOM 5 CB LYS A 6 12.296 14.216 -5.446 1.00 0.00 C ATOM 6 CG LYS A 6 12.389 14.259 -3.930 1.00 0.00 C ATOM 7 CD LYS A 6 13.831 14.145 -3.455 1.00 0.00 C ATOM 8 CE LYS A 6 14.164 15.200 -2.410 1.00 0.00 C ATOM 9 NZ LYS A 6 14.323 14.607 -1.053 1.00 0.00 N ATOM 0 HA LYS A 6 12.981 12.194 -5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.194 14.666 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.452 14.826 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.957 15.191 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.800 13.446 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.999 13.153 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.504 14.250 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.084 15.713 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.374 15.951 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.549 15.358 -0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.437 14.139 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.094 13.909 -1.067 1.00 0.00 H new ATOM 23 N GLU A 7 10.965 10.921 -5.028 1.00 0.00 N ATOM 24 CA GLU A 7 9.821 10.200 -4.485 1.00 0.00 C ATOM 25 C GLU A 7 9.960 10.018 -2.977 1.00 0.00 C ATOM 26 O GLU A 7 10.986 10.367 -2.394 1.00 0.00 O ATOM 27 CB GLU A 7 9.678 8.837 -5.167 1.00 0.00 C ATOM 28 CG GLU A 7 10.997 8.106 -5.353 1.00 0.00 C ATOM 29 CD GLU A 7 11.722 8.523 -6.618 1.00 0.00 C ATOM 30 OE1 GLU A 7 12.502 9.495 -6.561 1.00 0.00 O ATOM 31 OE2 GLU A 7 11.508 7.875 -7.665 1.00 0.00 O ATOM 0 H GLU A 7 11.834 10.387 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 7 8.925 10.789 -4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.007 8.213 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.209 8.975 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.638 8.296 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.812 7.032 -5.382 1.00 0.00 H new ATOM 38 N LYS A 8 8.923 9.472 -2.352 1.00 0.00 N ATOM 39 CA LYS A 8 8.929 9.247 -0.915 1.00 0.00 C ATOM 40 C LYS A 8 9.234 7.790 -0.590 1.00 0.00 C ATOM 41 O LYS A 8 9.066 6.906 -1.430 1.00 0.00 O ATOM 42 CB LYS A 8 7.580 9.645 -0.310 1.00 0.00 C ATOM 43 CG LYS A 8 6.423 8.762 -0.755 1.00 0.00 C ATOM 44 CD LYS A 8 5.354 9.564 -1.480 1.00 0.00 C ATOM 45 CE LYS A 8 3.997 8.882 -1.398 1.00 0.00 C ATOM 46 NZ LYS A 8 2.907 9.752 -1.920 1.00 0.00 N ATOM 0 H LYS A 8 8.067 9.177 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 8 9.713 9.867 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.655 9.609 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.362 10.678 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.796 7.975 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.984 8.271 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.288 10.562 -1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.637 9.689 -2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.023 7.952 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.786 8.617 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.116 9.761 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.266 10.720 -2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.577 9.384 -2.835 1.00 0.00 H new ATOM 60 N LYS A 9 9.674 7.550 0.638 1.00 0.00 N ATOM 61 CA LYS A 9 9.996 6.202 1.088 1.00 0.00 C ATOM 62 C LYS A 9 9.030 5.765 2.182 1.00 0.00 C ATOM 63 O LYS A 9 8.733 6.527 3.102 1.00 0.00 O ATOM 64 CB LYS A 9 11.436 6.136 1.603 1.00 0.00 C ATOM 65 CG LYS A 9 11.825 4.770 2.146 1.00 0.00 C ATOM 66 CD LYS A 9 11.948 4.784 3.662 1.00 0.00 C ATOM 67 CE LYS A 9 13.403 4.813 4.104 1.00 0.00 C ATOM 68 NZ LYS A 9 13.949 3.443 4.306 1.00 0.00 N ATOM 0 H LYS A 9 9.817 8.274 1.342 1.00 0.00 H new ATOM 0 HA LYS A 9 9.899 5.525 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.115 6.403 0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.567 6.881 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.079 4.033 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.773 4.460 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.428 5.654 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.459 3.902 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.999 5.335 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.489 5.379 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.943 3.506 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.396 2.953 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.890 2.911 3.414 1.00 0.00 H new ATOM 82 N ILE A 10 8.535 4.539 2.073 1.00 0.00 N ATOM 83 CA ILE A 10 7.594 4.011 3.053 1.00 0.00 C ATOM 84 C ILE A 10 7.924 2.563 3.402 1.00 0.00 C ATOM 85 O ILE A 10 8.665 1.894 2.684 1.00 0.00 O ATOM 86 CB ILE A 10 6.135 4.100 2.552 1.00 0.00 C ATOM 87 CG1 ILE A 10 6.037 5.019 1.326 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.231 4.599 3.671 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.623 5.438 0.982 1.00 0.00 C ATOM 0 H ILE A 10 8.768 3.893 1.319 1.00 0.00 H new ATOM 0 HA ILE A 10 7.690 4.627 3.947 1.00 0.00 H new ATOM 0 HB ILE A 10 5.806 3.105 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.636 5.912 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.473 4.509 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.204 4.659 3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.280 3.909 4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.561 5.587 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.638 6.085 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.023 4.553 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.188 5.977 1.824 1.00 0.00 H new ATOM 101 N ARG A 11 7.371 2.087 4.514 1.00 0.00 N ATOM 102 CA ARG A 11 7.612 0.719 4.960 1.00 0.00 C ATOM 103 C ARG A 11 6.448 -0.190 4.588 1.00 0.00 C ATOM 104 O ARG A 11 5.326 0.274 4.383 1.00 0.00 O ATOM 105 CB ARG A 11 7.837 0.687 6.474 1.00 0.00 C ATOM 106 CG ARG A 11 8.206 -0.688 7.004 1.00 0.00 C ATOM 107 CD ARG A 11 8.403 -0.669 8.511 1.00 0.00 C ATOM 108 NE ARG A 11 9.430 0.288 8.916 1.00 0.00 N ATOM 109 CZ ARG A 11 9.774 0.515 10.181 1.00 0.00 C ATOM 110 NH1 ARG A 11 9.177 -0.143 11.167 1.00 0.00 N ATOM 111 NH2 ARG A 11 10.719 1.403 10.463 1.00 0.00 N ATOM 0 H ARG A 11 6.755 2.627 5.121 1.00 0.00 H new ATOM 0 HA ARG A 11 8.507 0.353 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.629 1.391 6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.932 1.030 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.422 -1.401 6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.120 -1.032 6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.460 -0.417 8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.681 -1.666 8.853 1.00 0.00 H new ATOM 0 HE ARG A 11 9.912 0.813 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.450 -0.827 10.957 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.445 0.035 12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.182 1.912 9.710 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.982 1.577 11.433 1.00 0.00 H new ATOM 125 N ILE A 12 6.721 -1.488 4.505 1.00 0.00 N ATOM 126 CA ILE A 12 5.694 -2.463 4.162 1.00 0.00 C ATOM 127 C ILE A 12 5.823 -3.718 5.014 1.00 0.00 C ATOM 128 O ILE A 12 6.927 -4.121 5.382 1.00 0.00 O ATOM 129 CB ILE A 12 5.766 -2.882 2.681 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.714 -1.660 1.759 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.631 -3.843 2.362 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.354 -1.902 0.406 1.00 0.00 C ATOM 0 H ILE A 12 7.644 -1.888 4.671 1.00 0.00 H new ATOM 0 HA ILE A 12 4.738 -1.975 4.352 1.00 0.00 H new ATOM 0 HB ILE A 12 6.717 -3.386 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.674 -1.367 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.216 -0.824 2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.686 -4.136 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.716 -4.729 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.676 -3.354 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.283 -0.997 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.403 -2.166 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.837 -2.717 -0.100 1.00 0.00 H new ATOM 144 N THR A 13 4.690 -4.340 5.313 1.00 0.00 N ATOM 145 CA THR A 13 4.684 -5.559 6.109 1.00 0.00 C ATOM 146 C THR A 13 3.497 -6.448 5.757 1.00 0.00 C ATOM 147 O THR A 13 2.345 -6.065 5.952 1.00 0.00 O ATOM 148 CB THR A 13 4.663 -5.229 7.595 1.00 0.00 C ATOM 149 OG1 THR A 13 5.330 -4.007 7.852 1.00 0.00 O ATOM 150 CG2 THR A 13 5.319 -6.300 8.429 1.00 0.00 C ATOM 0 H THR A 13 3.767 -4.022 5.017 1.00 0.00 H new ATOM 0 HA THR A 13 5.599 -6.105 5.879 1.00 0.00 H new ATOM 0 HB THR A 13 3.611 -5.156 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.302 -3.815 8.813 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.278 -6.018 9.481 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.794 -7.245 8.286 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.359 -6.413 8.124 1.00 0.00 H new ATOM 158 N THR A 14 3.784 -7.638 5.238 1.00 0.00 N ATOM 159 CA THR A 14 2.732 -8.574 4.860 1.00 0.00 C ATOM 160 C THR A 14 2.318 -9.450 6.032 1.00 0.00 C ATOM 161 O THR A 14 3.157 -9.892 6.827 1.00 0.00 O ATOM 162 CB THR A 14 3.171 -9.450 3.690 1.00 0.00 C ATOM 163 OG1 THR A 14 3.793 -10.636 4.151 1.00 0.00 O ATOM 164 CG2 THR A 14 4.133 -8.754 2.756 1.00 0.00 C ATOM 0 H THR A 14 4.732 -7.975 5.070 1.00 0.00 H new ATOM 0 HA THR A 14 1.871 -7.980 4.552 1.00 0.00 H new ATOM 0 HB THR A 14 2.258 -9.679 3.141 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.184 -11.394 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.407 -9.430 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.659 -7.864 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.029 -8.465 3.306 1.00 0.00 H new ATOM 172 N ASN A 15 1.013 -9.691 6.115 1.00 0.00 N ATOM 173 CA ASN A 15 0.425 -10.508 7.173 1.00 0.00 C ATOM 174 C ASN A 15 1.178 -11.824 7.355 1.00 0.00 C ATOM 175 O ASN A 15 1.192 -12.391 8.446 1.00 0.00 O ATOM 176 CB ASN A 15 -1.059 -10.767 6.866 1.00 0.00 C ATOM 177 CG ASN A 15 -1.304 -12.058 6.108 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.928 -12.073 4.838 1.00 0.00 O flip ATOM 179 ND2 ASN A 15 -1.824 -13.028 6.659 1.00 0.00 N flip ATOM 0 H ASN A 15 0.332 -9.325 5.450 1.00 0.00 H new ATOM 0 HA ASN A 15 0.506 -9.959 8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.616 -10.793 7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.452 -9.933 6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.098 -12.971 7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.981 -13.889 6.135 1.00 0.00 H new ATOM 186 N ASP A 16 1.807 -12.304 6.286 1.00 0.00 N ATOM 187 CA ASP A 16 2.560 -13.551 6.355 1.00 0.00 C ATOM 188 C ASP A 16 3.650 -13.454 7.417 1.00 0.00 C ATOM 189 O ASP A 16 4.090 -14.464 7.967 1.00 0.00 O ATOM 190 CB ASP A 16 3.179 -13.883 4.996 1.00 0.00 C ATOM 191 CG ASP A 16 3.079 -15.359 4.665 1.00 0.00 C ATOM 192 OD1 ASP A 16 3.297 -16.187 5.574 1.00 0.00 O ATOM 193 OD2 ASP A 16 2.783 -15.686 3.496 1.00 0.00 O ATOM 0 H ASP A 16 1.811 -11.854 5.371 1.00 0.00 H new ATOM 0 HA ASP A 16 1.872 -14.351 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.679 -13.304 4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.227 -13.582 4.993 1.00 0.00 H new ATOM 198 N GLY A 17 4.078 -12.228 7.700 1.00 0.00 N ATOM 199 CA GLY A 17 5.108 -12.010 8.695 1.00 0.00 C ATOM 200 C GLY A 17 6.391 -11.485 8.088 1.00 0.00 C ATOM 201 O GLY A 17 7.479 -11.746 8.602 1.00 0.00 O ATOM 0 H GLY A 17 3.727 -11.380 7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.746 -11.303 9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.311 -12.946 9.215 1.00 0.00 H new ATOM 205 N ARG A 18 6.268 -10.744 6.990 1.00 0.00 N ATOM 206 CA ARG A 18 7.441 -10.187 6.321 1.00 0.00 C ATOM 207 C ARG A 18 7.260 -8.695 6.051 1.00 0.00 C ATOM 208 O ARG A 18 6.136 -8.205 5.979 1.00 0.00 O ATOM 209 CB ARG A 18 7.723 -10.949 5.020 1.00 0.00 C ATOM 210 CG ARG A 18 6.906 -10.477 3.829 1.00 0.00 C ATOM 211 CD ARG A 18 7.109 -11.386 2.628 1.00 0.00 C ATOM 212 NE ARG A 18 6.525 -12.709 2.831 1.00 0.00 N ATOM 213 CZ ARG A 18 5.261 -13.013 2.549 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.427 -12.077 2.114 1.00 0.00 N ATOM 215 NH2 ARG A 18 4.825 -14.254 2.713 1.00 0.00 N ATOM 0 H ARG A 18 5.377 -10.517 6.548 1.00 0.00 H new ATOM 0 HA ARG A 18 8.300 -10.302 6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.782 -10.854 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.527 -12.009 5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.849 -10.453 4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.192 -9.458 3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.663 -10.925 1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.176 -11.489 2.429 1.00 0.00 H new ATOM 0 HE ARG A 18 7.122 -13.444 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.754 -11.118 1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.459 -12.316 1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.459 -14.976 3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.856 -14.487 2.497 1.00 0.00 H new ATOM 229 N GLN A 19 8.371 -7.975 5.910 1.00 0.00 N ATOM 230 CA GLN A 19 8.317 -6.538 5.657 1.00 0.00 C ATOM 231 C GLN A 19 9.405 -6.093 4.686 1.00 0.00 C ATOM 232 O GLN A 19 10.402 -6.786 4.486 1.00 0.00 O ATOM 233 CB GLN A 19 8.448 -5.757 6.969 1.00 0.00 C ATOM 234 CG GLN A 19 9.468 -6.342 7.934 1.00 0.00 C ATOM 235 CD GLN A 19 10.886 -5.916 7.611 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.731 -6.740 7.263 1.00 0.00 O ATOM 237 NE2 GLN A 19 11.156 -4.620 7.727 1.00 0.00 N ATOM 0 H GLN A 19 9.314 -8.361 5.966 1.00 0.00 H new ATOM 0 HA GLN A 19 7.349 -6.327 5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.726 -4.728 6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.475 -5.724 7.460 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.222 -6.032 8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.405 -7.430 7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.425 -3.971 8.019 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.094 -4.274 7.524 1.00 0.00 H new ATOM 246 N SER A 20 9.197 -4.923 4.088 1.00 0.00 N ATOM 247 CA SER A 20 10.145 -4.356 3.135 1.00 0.00 C ATOM 248 C SER A 20 9.857 -2.874 2.916 1.00 0.00 C ATOM 249 O SER A 20 8.755 -2.400 3.193 1.00 0.00 O ATOM 250 CB SER A 20 10.076 -5.108 1.804 1.00 0.00 C ATOM 251 OG SER A 20 11.372 -5.336 1.280 1.00 0.00 O ATOM 0 H SER A 20 8.372 -4.345 4.249 1.00 0.00 H new ATOM 0 HA SER A 20 11.150 -4.460 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.565 -6.060 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.487 -4.534 1.089 1.00 0.00 H new ATOM 0 HG SER A 20 11.301 -5.819 0.430 1.00 0.00 H new ATOM 257 N MET A 21 10.850 -2.143 2.419 1.00 0.00 N ATOM 258 CA MET A 21 10.693 -0.714 2.169 1.00 0.00 C ATOM 259 C MET A 21 10.607 -0.424 0.679 1.00 0.00 C ATOM 260 O MET A 21 11.042 -1.224 -0.150 1.00 0.00 O ATOM 261 CB MET A 21 11.844 0.077 2.805 1.00 0.00 C ATOM 262 CG MET A 21 13.154 0.013 2.029 1.00 0.00 C ATOM 263 SD MET A 21 14.106 -1.476 2.383 1.00 0.00 S ATOM 264 CE MET A 21 13.797 -2.434 0.900 1.00 0.00 C ATOM 0 H MET A 21 11.770 -2.515 2.182 1.00 0.00 H new ATOM 0 HA MET A 21 9.758 -0.395 2.629 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.543 1.120 2.901 1.00 0.00 H new ATOM 0 HB3 MET A 21 12.014 -0.300 3.814 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.940 0.056 0.961 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.756 0.889 2.269 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.729 -2.882 0.555 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.076 -3.221 1.119 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.398 -1.783 0.123 1.00 0.00 H new ATOM 274 N VAL A 22 10.034 0.724 0.346 1.00 0.00 N ATOM 275 CA VAL A 22 9.876 1.122 -1.043 1.00 0.00 C ATOM 276 C VAL A 22 10.092 2.620 -1.220 1.00 0.00 C ATOM 277 O VAL A 22 10.216 3.363 -0.246 1.00 0.00 O ATOM 278 CB VAL A 22 8.477 0.757 -1.563 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.373 -0.739 -1.819 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.407 1.214 -0.585 1.00 0.00 C ATOM 0 H VAL A 22 9.671 1.396 1.021 1.00 0.00 H new ATOM 0 HA VAL A 22 10.631 0.583 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 22 8.316 1.274 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.375 -0.977 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.113 -1.033 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.556 -1.281 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.423 0.947 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.563 0.728 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.466 2.295 -0.460 1.00 0.00 H new ATOM 290 N THR A 23 10.133 3.056 -2.474 1.00 0.00 N ATOM 291 CA THR A 23 10.330 4.465 -2.794 1.00 0.00 C ATOM 292 C THR A 23 9.106 5.025 -3.512 1.00 0.00 C ATOM 293 O THR A 23 9.227 5.700 -4.535 1.00 0.00 O ATOM 294 CB THR A 23 11.573 4.639 -3.665 1.00 0.00 C ATOM 295 OG1 THR A 23 11.927 6.007 -3.770 1.00 0.00 O ATOM 296 CG2 THR A 23 11.393 4.101 -5.068 1.00 0.00 C ATOM 0 H THR A 23 10.032 2.451 -3.289 1.00 0.00 H new ATOM 0 HA THR A 23 10.470 5.015 -1.863 1.00 0.00 H new ATOM 0 HB THR A 23 12.358 4.068 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.726 6.096 -4.330 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.310 4.254 -5.637 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.168 3.036 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.571 4.625 -5.556 1.00 0.00 H new ATOM 304 N LEU A 24 7.927 4.726 -2.971 1.00 0.00 N ATOM 305 CA LEU A 24 6.662 5.179 -3.550 1.00 0.00 C ATOM 306 C LEU A 24 6.771 6.594 -4.115 1.00 0.00 C ATOM 307 O LEU A 24 7.276 7.501 -3.456 1.00 0.00 O ATOM 308 CB LEU A 24 5.552 5.120 -2.496 1.00 0.00 C ATOM 309 CG LEU A 24 4.296 4.362 -2.927 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.639 2.928 -3.301 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.250 4.392 -1.822 1.00 0.00 C ATOM 0 H LEU A 24 7.820 4.167 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 24 6.418 4.510 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.950 4.652 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.270 6.138 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 24 3.881 4.855 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.733 2.405 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.352 2.928 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.079 2.423 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.363 3.848 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.655 3.924 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.982 5.426 -1.603 1.00 0.00 H new ATOM 323 N LYS A 25 6.297 6.768 -5.343 1.00 0.00 N ATOM 324 CA LYS A 25 6.342 8.064 -6.006 1.00 0.00 C ATOM 325 C LYS A 25 5.304 9.016 -5.416 1.00 0.00 C ATOM 326 O LYS A 25 4.306 8.583 -4.840 1.00 0.00 O ATOM 327 CB LYS A 25 6.112 7.894 -7.509 1.00 0.00 C ATOM 328 CG LYS A 25 7.317 8.271 -8.356 1.00 0.00 C ATOM 329 CD LYS A 25 7.562 9.771 -8.346 1.00 0.00 C ATOM 330 CE LYS A 25 6.327 10.543 -8.784 1.00 0.00 C ATOM 331 NZ LYS A 25 6.659 11.613 -9.765 1.00 0.00 N ATOM 0 H LYS A 25 5.876 6.025 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 25 7.329 8.497 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.846 6.857 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.262 8.506 -7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.201 7.755 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.162 7.934 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.852 10.086 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.394 10.009 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.607 9.855 -9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.848 10.987 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.790 12.115 -10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.326 12.284 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.093 11.188 -10.609 1.00 0.00 H new ATOM 345 N SER A 26 5.550 10.315 -5.560 1.00 0.00 N ATOM 346 CA SER A 26 4.642 11.332 -5.040 1.00 0.00 C ATOM 347 C SER A 26 3.234 11.150 -5.602 1.00 0.00 C ATOM 348 O SER A 26 2.253 11.162 -4.859 1.00 0.00 O ATOM 349 CB SER A 26 5.162 12.730 -5.380 1.00 0.00 C ATOM 350 OG SER A 26 4.222 13.726 -5.017 1.00 0.00 O ATOM 0 H SER A 26 6.373 10.689 -6.034 1.00 0.00 H new ATOM 0 HA SER A 26 4.596 11.220 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.104 12.908 -4.860 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.370 12.794 -6.448 1.00 0.00 H new ATOM 0 HG SER A 26 4.579 14.610 -5.243 1.00 0.00 H new ATOM 356 N SER A 27 3.144 10.983 -6.917 1.00 0.00 N ATOM 357 CA SER A 27 1.856 10.800 -7.577 1.00 0.00 C ATOM 358 C SER A 27 1.553 9.319 -7.780 1.00 0.00 C ATOM 359 O SER A 27 1.035 8.916 -8.822 1.00 0.00 O ATOM 360 CB SER A 27 1.841 11.526 -8.924 1.00 0.00 C ATOM 361 OG SER A 27 0.659 11.234 -9.648 1.00 0.00 O ATOM 0 H SER A 27 3.946 10.971 -7.546 1.00 0.00 H new ATOM 0 HA SER A 27 1.084 11.225 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.915 12.601 -8.762 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.712 11.231 -9.509 1.00 0.00 H new ATOM 0 HG SER A 27 0.647 10.283 -9.885 1.00 0.00 H new ATOM 367 N THR A 28 1.881 8.511 -6.777 1.00 0.00 N ATOM 368 CA THR A 28 1.645 7.075 -6.844 1.00 0.00 C ATOM 369 C THR A 28 0.267 6.727 -6.293 1.00 0.00 C ATOM 370 O THR A 28 0.029 6.820 -5.089 1.00 0.00 O ATOM 371 CB THR A 28 2.732 6.326 -6.064 1.00 0.00 C ATOM 372 OG1 THR A 28 3.940 6.289 -6.802 1.00 0.00 O ATOM 373 CG2 THR A 28 2.362 4.897 -5.723 1.00 0.00 C ATOM 0 H THR A 28 2.311 8.827 -5.908 1.00 0.00 H new ATOM 0 HA THR A 28 1.683 6.768 -7.889 1.00 0.00 H new ATOM 0 HB THR A 28 2.848 6.882 -5.134 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.776 6.607 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.179 4.431 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.461 4.891 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.180 4.339 -6.642 1.00 0.00 H new ATOM 381 N THR A 29 -0.635 6.314 -7.177 1.00 0.00 N ATOM 382 CA THR A 29 -1.982 5.940 -6.769 1.00 0.00 C ATOM 383 C THR A 29 -2.005 4.494 -6.291 1.00 0.00 C ATOM 384 O THR A 29 -0.984 3.807 -6.325 1.00 0.00 O ATOM 385 CB THR A 29 -2.966 6.133 -7.925 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.247 5.623 -7.590 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.522 5.461 -9.208 1.00 0.00 C ATOM 0 H THR A 29 -0.457 6.230 -8.178 1.00 0.00 H new ATOM 0 HA THR A 29 -2.286 6.586 -5.946 1.00 0.00 H new ATOM 0 HB THR A 29 -3.005 7.209 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.866 5.779 -8.334 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.264 5.637 -9.987 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.563 5.873 -9.521 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.419 4.389 -9.040 1.00 0.00 H new ATOM 395 N PHE A 30 -3.169 4.032 -5.840 1.00 0.00 N ATOM 396 CA PHE A 30 -3.308 2.662 -5.354 1.00 0.00 C ATOM 397 C PHE A 30 -2.667 1.669 -6.320 1.00 0.00 C ATOM 398 O PHE A 30 -1.986 0.732 -5.902 1.00 0.00 O ATOM 399 CB PHE A 30 -4.781 2.308 -5.149 1.00 0.00 C ATOM 400 CG PHE A 30 -4.985 0.953 -4.533 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.708 0.738 -3.193 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.449 -0.108 -5.296 1.00 0.00 C ATOM 403 CE1 PHE A 30 -4.890 -0.508 -2.623 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.633 -1.355 -4.732 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.353 -1.556 -3.394 1.00 0.00 C ATOM 0 H PHE A 30 -4.026 4.584 -5.801 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.792 2.597 -4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.244 3.062 -4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.294 2.344 -6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.345 1.554 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.669 0.043 -6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.671 -0.662 -1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.996 -2.173 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.496 -2.531 -2.952 1.00 0.00 H new ATOM 415 N PHE A 31 -2.881 1.886 -7.614 1.00 0.00 N ATOM 416 CA PHE A 31 -2.315 1.015 -8.638 1.00 0.00 C ATOM 417 C PHE A 31 -0.794 1.013 -8.552 1.00 0.00 C ATOM 418 O PHE A 31 -0.174 -0.027 -8.330 1.00 0.00 O ATOM 419 CB PHE A 31 -2.757 1.470 -10.030 1.00 0.00 C ATOM 420 CG PHE A 31 -4.242 1.410 -10.240 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.057 2.451 -9.827 1.00 0.00 C ATOM 422 CD2 PHE A 31 -4.824 0.311 -10.852 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.425 2.398 -10.020 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.190 0.251 -11.047 1.00 0.00 C ATOM 425 CZ PHE A 31 -6.992 1.297 -10.631 1.00 0.00 C ATOM 0 H PHE A 31 -3.442 2.657 -7.978 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.679 0.002 -8.466 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.417 2.492 -10.194 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.267 0.847 -10.779 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.619 3.314 -9.349 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.202 -0.508 -11.180 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.049 3.217 -9.693 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.631 -0.612 -11.524 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.060 1.253 -10.784 1.00 0.00 H new ATOM 435 N GLU A 32 -0.201 2.190 -8.725 1.00 0.00 N ATOM 436 CA GLU A 32 1.245 2.343 -8.664 1.00 0.00 C ATOM 437 C GLU A 32 1.805 1.740 -7.379 1.00 0.00 C ATOM 438 O GLU A 32 2.920 1.217 -7.360 1.00 0.00 O ATOM 439 CB GLU A 32 1.605 3.824 -8.751 1.00 0.00 C ATOM 440 CG GLU A 32 1.531 4.381 -10.161 1.00 0.00 C ATOM 441 CD GLU A 32 0.203 4.108 -10.841 1.00 0.00 C ATOM 442 OE1 GLU A 32 -0.064 2.934 -11.173 1.00 0.00 O ATOM 443 OE2 GLU A 32 -0.566 5.070 -11.046 1.00 0.00 O ATOM 0 H GLU A 32 -0.706 3.057 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 32 1.688 1.811 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.932 4.392 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.614 3.968 -8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.701 5.457 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.334 3.949 -10.758 1.00 0.00 H new ATOM 450 N LEU A 33 1.022 1.813 -6.309 1.00 0.00 N ATOM 451 CA LEU A 33 1.435 1.271 -5.020 1.00 0.00 C ATOM 452 C LEU A 33 1.400 -0.254 -5.041 1.00 0.00 C ATOM 453 O LEU A 33 2.351 -0.912 -4.619 1.00 0.00 O ATOM 454 CB LEU A 33 0.530 1.811 -3.906 1.00 0.00 C ATOM 455 CG LEU A 33 0.601 1.057 -2.575 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.044 0.906 -2.121 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.221 1.772 -1.513 1.00 0.00 C ATOM 0 H LEU A 33 0.097 2.243 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 33 2.460 1.586 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.788 2.855 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.501 1.793 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 33 0.183 0.061 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.073 0.368 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.605 0.350 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.490 1.892 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.159 1.222 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.168 2.780 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.261 1.826 -1.834 1.00 0.00 H new ATOM 469 N GLN A 34 0.300 -0.810 -5.538 1.00 0.00 N ATOM 470 CA GLN A 34 0.144 -2.258 -5.617 1.00 0.00 C ATOM 471 C GLN A 34 1.267 -2.881 -6.441 1.00 0.00 C ATOM 472 O GLN A 34 1.650 -4.029 -6.220 1.00 0.00 O ATOM 473 CB GLN A 34 -1.211 -2.614 -6.230 1.00 0.00 C ATOM 474 CG GLN A 34 -2.394 -2.236 -5.353 1.00 0.00 C ATOM 475 CD GLN A 34 -3.018 -3.436 -4.668 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.211 -3.699 -4.817 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.211 -4.170 -3.910 1.00 0.00 N ATOM 0 H GLN A 34 -0.496 -0.280 -5.892 1.00 0.00 H new ATOM 0 HA GLN A 34 0.193 -2.659 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.308 -2.112 -7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.242 -3.686 -6.425 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.068 -1.520 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.148 -1.737 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.228 -3.914 -3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.574 -4.989 -3.423 1.00 0.00 H new ATOM 486 N GLU A 35 1.791 -2.112 -7.391 1.00 0.00 N ATOM 487 CA GLU A 35 2.872 -2.584 -8.248 1.00 0.00 C ATOM 488 C GLU A 35 4.209 -2.542 -7.515 1.00 0.00 C ATOM 489 O GLU A 35 5.124 -3.302 -7.832 1.00 0.00 O ATOM 490 CB GLU A 35 2.946 -1.738 -9.520 1.00 0.00 C ATOM 491 CG GLU A 35 4.031 -2.187 -10.486 1.00 0.00 C ATOM 492 CD GLU A 35 3.549 -2.237 -11.924 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.797 -1.326 -12.329 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.924 -3.186 -12.643 1.00 0.00 O ATOM 0 H GLU A 35 1.484 -1.159 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 35 2.662 -3.619 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.982 -1.774 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.123 -0.698 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.880 -1.507 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.388 -3.174 -10.192 1.00 0.00 H new ATOM 501 N SER A 36 4.318 -1.649 -6.535 1.00 0.00 N ATOM 502 CA SER A 36 5.544 -1.511 -5.758 1.00 0.00 C ATOM 503 C SER A 36 5.723 -2.694 -4.814 1.00 0.00 C ATOM 504 O SER A 36 6.765 -3.348 -4.813 1.00 0.00 O ATOM 505 CB SER A 36 5.525 -0.205 -4.962 1.00 0.00 C ATOM 506 OG SER A 36 5.899 0.894 -5.775 1.00 0.00 O ATOM 0 H SER A 36 3.571 -1.010 -6.261 1.00 0.00 H new ATOM 0 HA SER A 36 6.385 -1.492 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.528 -0.038 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.206 -0.282 -4.114 1.00 0.00 H new ATOM 0 HG SER A 36 5.142 1.156 -6.340 1.00 0.00 H new ATOM 512 N ILE A 37 4.695 -2.968 -4.016 1.00 0.00 N ATOM 513 CA ILE A 37 4.737 -4.076 -3.072 1.00 0.00 C ATOM 514 C ILE A 37 4.993 -5.390 -3.797 1.00 0.00 C ATOM 515 O ILE A 37 5.723 -6.252 -3.307 1.00 0.00 O ATOM 516 CB ILE A 37 3.421 -4.187 -2.277 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.082 -2.847 -1.621 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.522 -5.288 -1.230 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.646 -2.417 -1.837 1.00 0.00 C ATOM 0 H ILE A 37 3.824 -2.437 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 37 5.553 -3.877 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 37 2.618 -4.445 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.276 -2.916 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.747 -2.079 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.584 -5.352 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.720 -6.241 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.334 -5.060 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.475 -1.459 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.453 -2.316 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.975 -3.166 -1.416 1.00 0.00 H new ATOM 531 N ALA A 38 4.394 -5.534 -4.974 1.00 0.00 N ATOM 532 CA ALA A 38 4.564 -6.738 -5.773 1.00 0.00 C ATOM 533 C ALA A 38 6.037 -6.970 -6.106 1.00 0.00 C ATOM 534 O ALA A 38 6.435 -8.081 -6.457 1.00 0.00 O ATOM 535 CB ALA A 38 3.736 -6.648 -7.046 1.00 0.00 C ATOM 0 H ALA A 38 3.787 -4.831 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 38 4.213 -7.588 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.873 -7.556 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.683 -6.538 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.058 -5.786 -7.629 1.00 0.00 H new ATOM 541 N ARG A 39 6.843 -5.916 -5.987 1.00 0.00 N ATOM 542 CA ARG A 39 8.271 -6.013 -6.268 1.00 0.00 C ATOM 543 C ARG A 39 9.043 -6.360 -5.001 1.00 0.00 C ATOM 544 O ARG A 39 9.812 -7.320 -4.970 1.00 0.00 O ATOM 545 CB ARG A 39 8.795 -4.698 -6.848 1.00 0.00 C ATOM 546 CG ARG A 39 7.833 -4.033 -7.819 1.00 0.00 C ATOM 547 CD ARG A 39 8.574 -3.372 -8.969 1.00 0.00 C ATOM 548 NE ARG A 39 7.700 -3.132 -10.116 1.00 0.00 N ATOM 549 CZ ARG A 39 8.142 -2.913 -11.353 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.444 -2.907 -11.608 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.279 -2.702 -12.337 1.00 0.00 N ATOM 0 H ARG A 39 6.531 -4.989 -5.699 1.00 0.00 H new ATOM 0 HA ARG A 39 8.418 -6.806 -7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.006 -4.009 -6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.740 -4.887 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.138 -4.776 -8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.238 -3.288 -7.291 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.998 -2.426 -8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.408 -4.004 -9.274 1.00 0.00 H new ATOM 0 HE ARG A 39 6.692 -3.132 -9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.112 -3.071 -10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.777 -2.739 -12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.277 -2.707 -12.146 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.617 -2.534 -13.285 1.00 0.00 H new ATOM 565 N GLU A 40 8.828 -5.567 -3.957 1.00 0.00 N ATOM 566 CA GLU A 40 9.498 -5.778 -2.681 1.00 0.00 C ATOM 567 C GLU A 40 9.171 -7.153 -2.109 1.00 0.00 C ATOM 568 O GLU A 40 9.961 -7.726 -1.359 1.00 0.00 O ATOM 569 CB GLU A 40 9.094 -4.687 -1.687 1.00 0.00 C ATOM 570 CG GLU A 40 10.134 -3.590 -1.527 1.00 0.00 C ATOM 571 CD GLU A 40 10.611 -3.037 -2.857 1.00 0.00 C ATOM 572 OE1 GLU A 40 9.805 -3.002 -3.809 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.792 -2.637 -2.944 1.00 0.00 O ATOM 0 H GLU A 40 8.192 -4.769 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 40 10.573 -5.728 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.155 -4.240 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.909 -5.144 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.713 -2.780 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.988 -3.982 -0.974 1.00 0.00 H new ATOM 580 N PHE A 41 8.001 -7.675 -2.460 1.00 0.00 N ATOM 581 CA PHE A 41 7.572 -8.982 -1.973 1.00 0.00 C ATOM 582 C PHE A 41 7.205 -9.907 -3.129 1.00 0.00 C ATOM 583 O PHE A 41 7.470 -9.599 -4.291 1.00 0.00 O ATOM 584 CB PHE A 41 6.387 -8.820 -1.023 1.00 0.00 C ATOM 585 CG PHE A 41 6.631 -7.808 0.060 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.338 -6.470 -0.144 1.00 0.00 C ATOM 587 CD2 PHE A 41 7.158 -8.195 1.281 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.564 -5.538 0.849 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.387 -7.268 2.279 1.00 0.00 C ATOM 590 CZ PHE A 41 7.090 -5.937 2.063 1.00 0.00 C ATOM 0 H PHE A 41 7.333 -7.215 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 41 8.403 -9.436 -1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.508 -8.525 -1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.161 -9.784 -0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.928 -6.152 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.393 -9.235 1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.330 -4.498 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.798 -7.584 3.227 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.268 -5.209 2.841 1.00 0.00 H new ATOM 600 N ASN A 42 6.604 -11.049 -2.802 1.00 0.00 N ATOM 601 CA ASN A 42 6.217 -12.024 -3.816 1.00 0.00 C ATOM 602 C ASN A 42 4.700 -12.178 -3.897 1.00 0.00 C ATOM 603 O ASN A 42 4.179 -13.294 -3.886 1.00 0.00 O ATOM 604 CB ASN A 42 6.863 -13.379 -3.519 1.00 0.00 C ATOM 605 CG ASN A 42 8.346 -13.393 -3.834 1.00 0.00 C ATOM 606 OD1 ASN A 42 8.796 -14.108 -4.729 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.115 -12.601 -3.096 1.00 0.00 N ATOM 0 H ASN A 42 6.376 -11.320 -1.846 1.00 0.00 H new ATOM 0 HA ASN A 42 6.570 -11.657 -4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.715 -13.626 -2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.363 -14.153 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.121 -12.569 -3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.700 -12.025 -2.364 1.00 0.00 H new ATOM 614 N ILE A 43 3.994 -11.055 -3.991 1.00 0.00 N ATOM 615 CA ILE A 43 2.541 -11.076 -4.088 1.00 0.00 C ATOM 616 C ILE A 43 2.058 -10.121 -5.177 1.00 0.00 C ATOM 617 O ILE A 43 2.523 -8.986 -5.270 1.00 0.00 O ATOM 618 CB ILE A 43 1.872 -10.700 -2.752 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.426 -11.565 -1.619 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.360 -10.856 -2.851 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.422 -10.842 -0.744 1.00 0.00 C ATOM 0 H ILE A 43 4.405 -10.122 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 43 2.256 -12.097 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 43 2.097 -9.656 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.599 -11.916 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.902 -12.448 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.097 -10.586 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.023 -10.202 -3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.116 -11.891 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.774 -11.514 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.268 -10.515 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.944 -9.974 -0.289 1.00 0.00 H new ATOM 633 N PRO A 44 1.116 -10.572 -6.020 1.00 0.00 N ATOM 634 CA PRO A 44 0.574 -9.753 -7.108 1.00 0.00 C ATOM 635 C PRO A 44 -0.305 -8.614 -6.596 1.00 0.00 C ATOM 636 O PRO A 44 -0.707 -8.605 -5.434 1.00 0.00 O ATOM 637 CB PRO A 44 -0.252 -10.747 -7.927 1.00 0.00 C ATOM 638 CG PRO A 44 -0.624 -11.821 -6.964 1.00 0.00 C ATOM 639 CD PRO A 44 0.509 -11.913 -5.977 1.00 0.00 C ATOM 0 HA PRO A 44 1.362 -9.264 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.137 -10.271 -8.350 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.324 -11.147 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.561 -11.584 -6.460 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.770 -12.771 -7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.151 -12.159 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.224 -12.686 -6.259 1.00 0.00 H new ATOM 647 N PRO A 45 -0.608 -7.632 -7.462 1.00 0.00 N ATOM 648 CA PRO A 45 -1.439 -6.480 -7.092 1.00 0.00 C ATOM 649 C PRO A 45 -2.877 -6.867 -6.762 1.00 0.00 C ATOM 650 O PRO A 45 -3.597 -6.109 -6.112 1.00 0.00 O ATOM 651 CB PRO A 45 -1.400 -5.592 -8.340 1.00 0.00 C ATOM 652 CG PRO A 45 -1.061 -6.516 -9.458 1.00 0.00 C ATOM 653 CD PRO A 45 -0.165 -7.566 -8.865 1.00 0.00 C ATOM 0 HA PRO A 45 -1.067 -5.993 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.360 -5.104 -8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.655 -4.803 -8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.960 -6.963 -9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.558 -5.984 -10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.280 -8.525 -9.369 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.886 -7.289 -8.943 1.00 0.00 H new ATOM 661 N TYR A 46 -3.295 -8.046 -7.213 1.00 0.00 N ATOM 662 CA TYR A 46 -4.654 -8.515 -6.958 1.00 0.00 C ATOM 663 C TYR A 46 -4.715 -9.425 -5.729 1.00 0.00 C ATOM 664 O TYR A 46 -5.738 -10.057 -5.467 1.00 0.00 O ATOM 665 CB TYR A 46 -5.206 -9.250 -8.184 1.00 0.00 C ATOM 666 CG TYR A 46 -4.496 -10.549 -8.492 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.366 -10.569 -9.297 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.960 -11.754 -7.980 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.715 -11.755 -9.584 1.00 0.00 C ATOM 670 CE2 TYR A 46 -4.315 -12.943 -8.261 1.00 0.00 C ATOM 671 CZ TYR A 46 -3.194 -12.939 -9.064 1.00 0.00 C ATOM 672 OH TYR A 46 -2.550 -14.121 -9.347 1.00 0.00 O ATOM 0 H TYR A 46 -2.717 -8.690 -7.753 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.271 -7.639 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.265 -9.455 -8.026 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.134 -8.594 -9.051 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.989 -9.643 -9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.839 -11.762 -7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.836 -11.754 -10.212 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.687 -13.871 -7.854 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.014 -14.861 -8.903 1.00 0.00 H new ATOM 682 N LEU A 47 -3.619 -9.483 -4.975 1.00 0.00 N ATOM 683 CA LEU A 47 -3.563 -10.312 -3.773 1.00 0.00 C ATOM 684 C LEU A 47 -2.908 -9.566 -2.613 1.00 0.00 C ATOM 685 O LEU A 47 -2.668 -10.147 -1.554 1.00 0.00 O ATOM 686 CB LEU A 47 -2.793 -11.603 -4.052 1.00 0.00 C ATOM 687 CG LEU A 47 -3.512 -12.609 -4.951 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.673 -13.864 -5.125 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.876 -12.953 -4.376 1.00 0.00 C ATOM 0 H LEU A 47 -2.761 -8.968 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.588 -10.554 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.839 -11.346 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.568 -12.086 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.656 -12.155 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.201 -14.568 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.718 -13.603 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.498 -14.322 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.375 -13.670 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.754 -13.388 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.479 -12.048 -4.303 1.00 0.00 H new ATOM 701 N GLN A 48 -2.619 -8.283 -2.807 1.00 0.00 N ATOM 702 CA GLN A 48 -1.992 -7.484 -1.764 1.00 0.00 C ATOM 703 C GLN A 48 -2.969 -6.466 -1.188 1.00 0.00 C ATOM 704 O GLN A 48 -3.353 -5.509 -1.859 1.00 0.00 O ATOM 705 CB GLN A 48 -0.760 -6.764 -2.316 1.00 0.00 C ATOM 706 CG GLN A 48 0.369 -7.704 -2.703 1.00 0.00 C ATOM 707 CD GLN A 48 1.497 -6.996 -3.429 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.666 -7.136 -3.069 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.153 -6.232 -4.460 1.00 0.00 N ATOM 0 H GLN A 48 -2.808 -7.778 -3.673 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.687 -8.159 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.051 -6.180 -3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.395 -6.060 -1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.763 -8.181 -1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.025 -8.497 -3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.172 -6.144 -4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.870 -5.734 -4.987 1.00 0.00 H new ATOM 718 N CYS A 49 -3.351 -6.671 0.067 1.00 0.00 N ATOM 719 CA CYS A 49 -4.266 -5.763 0.744 1.00 0.00 C ATOM 720 C CYS A 49 -3.488 -4.879 1.712 1.00 0.00 C ATOM 721 O CYS A 49 -3.039 -5.339 2.762 1.00 0.00 O ATOM 722 CB CYS A 49 -5.352 -6.549 1.485 1.00 0.00 C ATOM 723 SG CYS A 49 -6.455 -5.527 2.490 1.00 0.00 S ATOM 0 H CYS A 49 -3.041 -7.459 0.636 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.754 -5.131 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.948 -7.098 0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.874 -7.288 2.128 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.337 -6.284 3.073 1.00 0.00 H new ATOM 729 N ILE A 50 -3.312 -3.616 1.334 1.00 0.00 N ATOM 730 CA ILE A 50 -2.565 -2.662 2.148 1.00 0.00 C ATOM 731 C ILE A 50 -3.407 -2.095 3.285 1.00 0.00 C ATOM 732 O ILE A 50 -4.627 -1.977 3.176 1.00 0.00 O ATOM 733 CB ILE A 50 -2.037 -1.494 1.291 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.316 -2.025 0.049 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.109 -0.610 2.111 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.705 -1.311 -1.227 1.00 0.00 C ATOM 0 H ILE A 50 -3.679 -3.228 0.465 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.728 -3.214 2.574 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.886 -0.893 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.240 -1.930 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.531 -3.088 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.745 0.209 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.652 -0.205 2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.264 -1.200 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.156 -1.739 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.775 -1.427 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.465 -0.252 -1.139 1.00 0.00 H new ATOM 748 N ARG A 51 -2.734 -1.734 4.375 1.00 0.00 N ATOM 749 CA ARG A 51 -3.396 -1.166 5.541 1.00 0.00 C ATOM 750 C ARG A 51 -2.515 -0.100 6.185 1.00 0.00 C ATOM 751 O ARG A 51 -1.300 -0.272 6.298 1.00 0.00 O ATOM 752 CB ARG A 51 -3.716 -2.262 6.556 1.00 0.00 C ATOM 753 CG ARG A 51 -4.538 -3.403 5.980 1.00 0.00 C ATOM 754 CD ARG A 51 -5.420 -4.036 7.041 1.00 0.00 C ATOM 755 NE ARG A 51 -5.926 -5.343 6.626 1.00 0.00 N ATOM 756 CZ ARG A 51 -6.395 -6.257 7.473 1.00 0.00 C ATOM 757 NH1 ARG A 51 -6.427 -6.012 8.777 1.00 0.00 N ATOM 758 NH2 ARG A 51 -6.835 -7.421 7.014 1.00 0.00 N ATOM 0 H ARG A 51 -1.723 -1.827 4.472 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.328 -0.703 5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.783 -2.662 6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.257 -1.823 7.394 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.157 -3.032 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.873 -4.157 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.853 -4.144 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.259 -3.374 7.257 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.919 -5.568 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.091 -5.119 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.788 -6.717 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.814 -7.615 6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.194 -8.122 7.662 1.00 0.00 H new ATOM 772 N TYR A 52 -3.130 1.001 6.599 1.00 0.00 N ATOM 773 CA TYR A 52 -2.393 2.093 7.225 1.00 0.00 C ATOM 774 C TYR A 52 -3.161 2.670 8.410 1.00 0.00 C ATOM 775 O TYR A 52 -4.352 2.405 8.581 1.00 0.00 O ATOM 776 CB TYR A 52 -2.110 3.194 6.200 1.00 0.00 C ATOM 777 CG TYR A 52 -3.350 3.929 5.739 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.246 3.335 4.859 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.624 5.216 6.185 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.380 4.003 4.437 1.00 0.00 C ATOM 781 CE2 TYR A 52 -4.757 5.890 5.768 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.631 5.279 4.894 1.00 0.00 C ATOM 783 OH TYR A 52 -6.759 5.947 4.476 1.00 0.00 O ATOM 0 H TYR A 52 -4.134 1.162 6.513 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.449 1.693 7.594 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.413 3.911 6.634 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.616 2.754 5.334 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.053 2.335 4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.941 5.698 6.869 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.066 3.527 3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.956 6.890 6.125 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.787 6.834 4.892 1.00 0.00 H new ATOM 793 N GLY A 53 -2.471 3.462 9.223 1.00 0.00 N ATOM 794 CA GLY A 53 -3.099 4.071 10.380 1.00 0.00 C ATOM 795 C GLY A 53 -3.473 3.058 11.445 1.00 0.00 C ATOM 796 O GLY A 53 -3.577 1.863 11.167 1.00 0.00 O ATOM 0 H GLY A 53 -1.485 3.693 9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.422 4.810 10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.994 4.606 10.063 1.00 0.00 H new ATOM 800 N PHE A 54 -3.679 3.540 12.666 1.00 0.00 N ATOM 801 CA PHE A 54 -4.047 2.676 13.781 1.00 0.00 C ATOM 802 C PHE A 54 -5.468 2.988 14.257 1.00 0.00 C ATOM 803 O PHE A 54 -5.748 4.108 14.687 1.00 0.00 O ATOM 804 CB PHE A 54 -3.059 2.855 14.936 1.00 0.00 C ATOM 805 CG PHE A 54 -2.649 1.562 15.582 1.00 0.00 C ATOM 806 CD1 PHE A 54 -1.596 0.822 15.070 1.00 0.00 C ATOM 807 CD2 PHE A 54 -3.317 1.090 16.699 1.00 0.00 C ATOM 808 CE1 PHE A 54 -1.216 -0.368 15.663 1.00 0.00 C ATOM 809 CE2 PHE A 54 -2.942 -0.099 17.296 1.00 0.00 C ATOM 810 CZ PHE A 54 -1.890 -0.828 16.777 1.00 0.00 C ATOM 0 H PHE A 54 -3.597 4.527 12.909 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.013 1.641 13.440 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.169 3.365 14.566 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.507 3.502 15.690 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.066 1.178 14.199 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.140 1.657 17.108 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.393 -0.937 15.255 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.471 -0.457 18.167 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.595 -1.757 17.242 1.00 0.00 H new ATOM 820 N PRO A 55 -6.393 2.009 14.188 1.00 0.00 N ATOM 821 CA PRO A 55 -6.110 0.658 13.684 1.00 0.00 C ATOM 822 C PRO A 55 -5.822 0.644 12.183 1.00 0.00 C ATOM 823 O PRO A 55 -6.032 1.641 11.492 1.00 0.00 O ATOM 824 CB PRO A 55 -7.396 -0.114 13.987 1.00 0.00 C ATOM 825 CG PRO A 55 -8.457 0.927 14.045 1.00 0.00 C ATOM 826 CD PRO A 55 -7.798 2.155 14.607 1.00 0.00 C ATOM 0 HA PRO A 55 -5.221 0.231 14.148 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.607 -0.851 13.213 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.320 -0.655 14.930 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.867 1.122 13.054 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.286 0.605 14.675 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.243 3.067 14.210 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.891 2.201 15.692 1.00 0.00 H new ATOM 834 N PRO A 56 -5.336 -0.495 11.661 1.00 0.00 N ATOM 835 CA PRO A 56 -5.018 -0.641 10.240 1.00 0.00 C ATOM 836 C PRO A 56 -6.265 -0.626 9.366 1.00 0.00 C ATOM 837 O PRO A 56 -7.200 -1.399 9.580 1.00 0.00 O ATOM 838 CB PRO A 56 -4.327 -2.004 10.161 1.00 0.00 C ATOM 839 CG PRO A 56 -4.833 -2.755 11.342 1.00 0.00 C ATOM 840 CD PRO A 56 -5.062 -1.728 12.416 1.00 0.00 C ATOM 0 HA PRO A 56 -4.402 0.182 9.876 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.571 -2.518 9.231 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.242 -1.900 10.193 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.756 -3.283 11.103 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.112 -3.505 11.666 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.900 -1.999 13.059 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.189 -1.619 13.059 1.00 0.00 H new ATOM 848 N LYS A 57 -6.267 0.261 8.383 1.00 0.00 N ATOM 849 CA LYS A 57 -7.392 0.391 7.466 1.00 0.00 C ATOM 850 C LYS A 57 -7.230 -0.541 6.272 1.00 0.00 C ATOM 851 O LYS A 57 -6.215 -1.224 6.138 1.00 0.00 O ATOM 852 CB LYS A 57 -7.515 1.836 6.977 1.00 0.00 C ATOM 853 CG LYS A 57 -7.953 2.810 8.059 1.00 0.00 C ATOM 854 CD LYS A 57 -8.891 3.875 7.506 1.00 0.00 C ATOM 855 CE LYS A 57 -10.250 3.833 8.187 1.00 0.00 C ATOM 856 NZ LYS A 57 -10.401 4.919 9.194 1.00 0.00 N ATOM 0 H LYS A 57 -5.498 0.905 8.198 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.299 0.115 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.554 2.158 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.230 1.873 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.452 2.265 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.076 3.288 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.445 4.860 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.016 3.729 6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.035 3.923 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.383 2.866 8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.341 4.855 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.668 4.819 9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.300 5.842 8.726 1.00 0.00 H new ATOM 870 N GLU A 58 -8.236 -0.563 5.405 1.00 0.00 N ATOM 871 CA GLU A 58 -8.204 -1.408 4.220 1.00 0.00 C ATOM 872 C GLU A 58 -8.163 -0.560 2.953 1.00 0.00 C ATOM 873 O GLU A 58 -9.152 -0.462 2.229 1.00 0.00 O ATOM 874 CB GLU A 58 -9.419 -2.336 4.190 1.00 0.00 C ATOM 875 CG GLU A 58 -9.238 -3.544 3.286 1.00 0.00 C ATOM 876 CD GLU A 58 -10.478 -4.414 3.222 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.596 -3.859 3.262 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.331 -5.652 3.131 1.00 0.00 O ATOM 0 H GLU A 58 -9.084 -0.004 5.502 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.299 -2.015 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.629 -2.679 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.290 -1.771 3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.983 -3.207 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.399 -4.140 3.645 1.00 0.00 H new ATOM 885 N LEU A 59 -7.009 0.056 2.699 1.00 0.00 N ATOM 886 CA LEU A 59 -6.815 0.905 1.526 1.00 0.00 C ATOM 887 C LEU A 59 -7.331 0.228 0.259 1.00 0.00 C ATOM 888 O LEU A 59 -6.580 -0.433 -0.458 1.00 0.00 O ATOM 889 CB LEU A 59 -5.332 1.251 1.365 1.00 0.00 C ATOM 890 CG LEU A 59 -5.027 2.413 0.416 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.918 3.607 0.719 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.560 2.804 0.513 1.00 0.00 C ATOM 0 H LEU A 59 -6.187 -0.019 3.298 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.386 1.821 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.924 1.490 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.807 0.365 1.008 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.234 2.086 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.683 4.420 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.963 3.321 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.748 3.937 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.358 3.631 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.332 3.110 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.937 1.951 0.242 1.00 0.00 H new ATOM 904 N MET A 60 -8.621 0.396 -0.002 1.00 0.00 N ATOM 905 CA MET A 60 -9.254 -0.195 -1.176 1.00 0.00 C ATOM 906 C MET A 60 -8.870 0.566 -2.444 1.00 0.00 C ATOM 907 O MET A 60 -8.470 1.728 -2.381 1.00 0.00 O ATOM 908 CB MET A 60 -10.774 -0.199 -1.006 1.00 0.00 C ATOM 909 CG MET A 60 -11.384 1.192 -0.980 1.00 0.00 C ATOM 910 SD MET A 60 -13.148 1.171 -0.609 1.00 0.00 S ATOM 911 CE MET A 60 -13.127 0.630 1.098 1.00 0.00 C ATOM 0 H MET A 60 -9.253 0.939 0.586 1.00 0.00 H new ATOM 0 HA MET A 60 -8.902 -1.222 -1.274 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.221 -0.768 -1.821 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.027 -0.715 -0.080 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.867 1.797 -0.235 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.226 1.672 -1.946 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.069 0.899 1.577 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.997 -0.452 1.135 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.302 1.113 1.623 1.00 0.00 H new ATOM 921 N PRO A 61 -8.990 -0.082 -3.616 1.00 0.00 N ATOM 922 CA PRO A 61 -8.653 0.542 -4.899 1.00 0.00 C ATOM 923 C PRO A 61 -9.647 1.632 -5.292 1.00 0.00 C ATOM 924 O PRO A 61 -10.854 1.477 -5.111 1.00 0.00 O ATOM 925 CB PRO A 61 -8.714 -0.621 -5.890 1.00 0.00 C ATOM 926 CG PRO A 61 -9.640 -1.607 -5.268 1.00 0.00 C ATOM 927 CD PRO A 61 -9.459 -1.470 -3.781 1.00 0.00 C ATOM 0 HA PRO A 61 -7.683 1.039 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.082 -0.293 -6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.727 -1.054 -6.052 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.672 -1.407 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.409 -2.620 -5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.392 -1.644 -3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.733 -2.187 -3.398 1.00 0.00 H new ATOM 935 N PRO A 62 -9.148 2.755 -5.838 1.00 0.00 N ATOM 936 CA PRO A 62 -9.999 3.873 -6.255 1.00 0.00 C ATOM 937 C PRO A 62 -10.795 3.558 -7.515 1.00 0.00 C ATOM 938 O PRO A 62 -10.821 2.419 -7.980 1.00 0.00 O ATOM 939 CB PRO A 62 -9.000 4.995 -6.529 1.00 0.00 C ATOM 940 CG PRO A 62 -7.733 4.299 -6.886 1.00 0.00 C ATOM 941 CD PRO A 62 -7.718 3.025 -6.089 1.00 0.00 C ATOM 0 HA PRO A 62 -10.745 4.119 -5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.340 5.638 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.869 5.630 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.691 4.090 -7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.868 4.918 -6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.248 2.212 -6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.163 3.141 -5.158 1.00 0.00 H new ATOM 949 N GLN A 63 -11.441 4.580 -8.064 1.00 0.00 N ATOM 950 CA GLN A 63 -12.238 4.421 -9.272 1.00 0.00 C ATOM 951 C GLN A 63 -12.015 5.593 -10.225 1.00 0.00 C ATOM 952 O GLN A 63 -11.073 6.368 -10.060 1.00 0.00 O ATOM 953 CB GLN A 63 -13.723 4.301 -8.919 1.00 0.00 C ATOM 954 CG GLN A 63 -14.350 2.992 -9.369 1.00 0.00 C ATOM 955 CD GLN A 63 -14.186 1.884 -8.347 1.00 0.00 C ATOM 956 OE1 GLN A 63 -13.916 2.142 -7.173 1.00 0.00 O ATOM 957 NE2 GLN A 63 -14.349 0.643 -8.788 1.00 0.00 N ATOM 0 H GLN A 63 -11.428 5.529 -7.690 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.921 3.506 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.841 4.399 -7.840 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.265 5.130 -9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.411 3.149 -9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -13.898 2.682 -10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.572 0.476 -9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -14.251 -0.143 -8.146 1.00 0.00 H new ATOM 966 N ALA A 64 -12.885 5.715 -11.222 1.00 0.00 N ATOM 967 CA ALA A 64 -12.782 6.793 -12.200 1.00 0.00 C ATOM 968 C ALA A 64 -12.799 8.158 -11.519 1.00 0.00 C ATOM 969 O ALA A 64 -13.855 8.654 -11.127 1.00 0.00 O ATOM 970 CB ALA A 64 -13.910 6.693 -13.214 1.00 0.00 C ATOM 0 H ALA A 64 -13.669 5.081 -11.374 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.830 6.689 -12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.821 7.503 -13.938 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.850 5.736 -13.732 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.869 6.768 -12.701 1.00 0.00 H new ATOM 976 N GLY A 65 -11.621 8.760 -11.383 1.00 0.00 N ATOM 977 CA GLY A 65 -11.522 10.063 -10.750 1.00 0.00 C ATOM 978 C GLY A 65 -10.583 10.060 -9.560 1.00 0.00 C ATOM 979 O GLY A 65 -9.987 11.085 -9.229 1.00 0.00 O ATOM 0 H GLY A 65 -10.734 8.369 -11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.175 10.793 -11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.513 10.382 -10.426 1.00 0.00 H new ATOM 983 N MET A 66 -10.451 8.905 -8.914 1.00 0.00 N ATOM 984 CA MET A 66 -9.578 8.773 -7.753 1.00 0.00 C ATOM 985 C MET A 66 -8.301 8.020 -8.112 1.00 0.00 C ATOM 986 O MET A 66 -7.265 8.196 -7.469 1.00 0.00 O ATOM 987 CB MET A 66 -10.310 8.050 -6.621 1.00 0.00 C ATOM 988 CG MET A 66 -11.136 8.975 -5.742 1.00 0.00 C ATOM 989 SD MET A 66 -10.320 9.366 -4.183 1.00 0.00 S ATOM 990 CE MET A 66 -10.996 8.096 -3.117 1.00 0.00 C ATOM 0 H MET A 66 -10.938 8.047 -9.175 1.00 0.00 H new ATOM 0 HA MET A 66 -9.304 9.774 -7.420 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.964 7.290 -7.049 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.580 7.530 -6.001 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.338 9.899 -6.283 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.100 8.509 -5.536 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.584 8.206 -2.114 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.081 8.194 -3.077 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.735 7.114 -3.511 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.380 7.181 -9.140 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.228 6.400 -9.583 1.00 0.00 C ATOM 1002 C GLU A 67 -6.033 7.302 -9.880 1.00 0.00 C ATOM 1003 O GLU A 67 -4.883 6.891 -9.738 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.589 5.586 -10.827 1.00 0.00 C ATOM 1005 CG GLU A 67 -7.932 6.441 -12.035 1.00 0.00 C ATOM 1006 CD GLU A 67 -8.597 5.646 -13.142 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -7.877 4.956 -13.893 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -9.839 5.716 -13.258 1.00 0.00 O ATOM 0 H GLU A 67 -9.229 7.024 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.951 5.721 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.753 4.934 -11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.437 4.942 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.593 7.251 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.022 6.902 -12.420 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.316 8.533 -10.295 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.265 9.492 -10.612 1.00 0.00 C ATOM 1017 C LYS A 68 -4.636 10.056 -9.339 1.00 0.00 C ATOM 1018 O LYS A 68 -3.485 10.492 -9.345 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.825 10.632 -11.465 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.408 10.170 -12.790 1.00 0.00 C ATOM 1021 CD LYS A 68 -7.192 11.281 -13.470 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.643 11.297 -13.016 1.00 0.00 C ATOM 1023 NZ LYS A 68 -9.534 11.927 -14.029 1.00 0.00 N ATOM 0 H LYS A 68 -7.264 8.889 -10.419 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.492 8.970 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.598 11.152 -10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.031 11.354 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.604 9.836 -13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.060 9.313 -12.623 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.729 12.243 -13.248 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.149 11.149 -14.551 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.975 10.277 -12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.723 11.840 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.514 11.919 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.233 12.909 -14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.478 11.394 -14.920 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.400 10.046 -8.250 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.916 10.558 -6.973 1.00 0.00 C ATOM 1039 C GLU A 69 -3.898 9.602 -6.354 1.00 0.00 C ATOM 1040 O GLU A 69 -4.016 8.384 -6.488 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.087 10.769 -6.011 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.538 12.218 -5.910 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.864 12.959 -4.772 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.117 12.604 -3.601 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -5.085 13.894 -5.052 1.00 0.00 O ATOM 0 H GLU A 69 -6.355 9.689 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.425 11.514 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.928 10.157 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.801 10.416 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.323 12.728 -6.849 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.619 12.250 -5.770 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.877 10.146 -5.667 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.837 9.334 -5.029 1.00 0.00 C ATOM 1054 C PRO A 70 -2.325 8.654 -3.755 1.00 0.00 C ATOM 1055 O PRO A 70 -3.388 8.983 -3.230 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.747 10.356 -4.707 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.479 11.639 -4.521 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.657 11.590 -5.459 1.00 0.00 C ATOM 0 HA PRO A 70 -1.504 8.518 -5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.197 10.079 -3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.020 10.428 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.808 11.753 -3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.837 12.490 -4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.534 12.071 -5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.444 12.102 -6.397 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.538 7.701 -3.266 1.00 0.00 N ATOM 1067 CA VAL A 71 -1.881 6.966 -2.055 1.00 0.00 C ATOM 1068 C VAL A 71 -1.922 7.887 -0.837 1.00 0.00 C ATOM 1069 O VAL A 71 -1.379 8.992 -0.864 1.00 0.00 O ATOM 1070 CB VAL A 71 -0.885 5.820 -1.792 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.194 4.634 -2.689 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.547 6.290 -1.995 1.00 0.00 C ATOM 0 H VAL A 71 -0.655 7.419 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.873 6.544 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.992 5.505 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.482 3.833 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.205 4.279 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.118 4.938 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.232 5.464 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.674 6.637 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.763 7.107 -1.306 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.573 7.442 0.255 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.690 8.228 1.490 1.00 0.00 C ATOM 1084 C PRO A 72 -1.423 8.194 2.340 1.00 0.00 C ATOM 1085 O PRO A 72 -1.393 8.733 3.446 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.825 7.521 2.228 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.694 6.099 1.810 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.255 6.135 0.371 1.00 0.00 C ATOM 0 HA PRO A 72 -2.863 9.284 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.728 7.630 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.797 7.930 1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.965 5.575 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.641 5.571 1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.584 5.309 0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.103 6.062 -0.310 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.384 7.545 1.829 1.00 0.00 N ATOM 1097 CA LEU A 73 0.875 7.425 2.553 1.00 0.00 C ATOM 1098 C LEU A 73 1.918 8.397 2.009 1.00 0.00 C ATOM 1099 O LEU A 73 1.900 8.749 0.830 1.00 0.00 O ATOM 1100 CB LEU A 73 1.389 5.987 2.462 1.00 0.00 C ATOM 1101 CG LEU A 73 0.294 4.926 2.301 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.886 3.599 1.862 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.486 4.766 3.597 1.00 0.00 C ATOM 0 H LEU A 73 -0.389 7.093 0.915 1.00 0.00 H new ATOM 0 HA LEU A 73 0.697 7.678 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.075 5.913 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.964 5.763 3.361 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.394 5.260 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.089 2.863 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.394 3.726 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.600 3.254 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.259 4.009 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.191 4.458 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.950 5.716 3.862 1.00 0.00 H new ATOM 1115 N GLN A 74 2.824 8.834 2.881 1.00 0.00 N ATOM 1116 CA GLN A 74 3.870 9.772 2.492 1.00 0.00 C ATOM 1117 C GLN A 74 5.237 9.320 2.998 1.00 0.00 C ATOM 1118 O GLN A 74 5.362 8.279 3.643 1.00 0.00 O ATOM 1119 CB GLN A 74 3.554 11.170 3.027 1.00 0.00 C ATOM 1120 CG GLN A 74 2.224 11.722 2.540 1.00 0.00 C ATOM 1121 CD GLN A 74 2.212 11.982 1.046 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.133 12.592 0.503 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.165 11.519 0.374 1.00 0.00 N ATOM 0 H GLN A 74 2.853 8.553 3.861 1.00 0.00 H new ATOM 0 HA GLN A 74 3.903 9.802 1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.548 11.140 4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.351 11.852 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.430 11.018 2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.005 12.650 3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.424 11.019 0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.101 11.664 -0.634 1.00 0.00 H new ATOM 1132 N HIS A 75 6.258 10.115 2.695 1.00 0.00 N ATOM 1133 CA HIS A 75 7.623 9.811 3.109 1.00 0.00 C ATOM 1134 C HIS A 75 7.724 9.656 4.622 1.00 0.00 C ATOM 1135 O HIS A 75 7.636 10.635 5.364 1.00 0.00 O ATOM 1136 CB HIS A 75 8.576 10.912 2.637 1.00 0.00 C ATOM 1137 CG HIS A 75 10.016 10.502 2.647 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.469 9.357 3.269 1.00 0.00 N ATOM 1139 CD2 HIS A 75 11.109 11.091 2.104 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.778 9.260 3.109 1.00 0.00 C ATOM 1141 NE2 HIS A 75 12.189 10.299 2.406 1.00 0.00 N ATOM 0 H HIS A 75 6.165 10.979 2.161 1.00 0.00 H new ATOM 0 HA HIS A 75 7.906 8.864 2.650 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.299 11.212 1.626 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.451 11.787 3.275 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.127 12.011 1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.404 8.466 3.489 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.154 10.484 2.131 1.00 0.00 H new ATOM 1150 N GLY A 76 7.917 8.422 5.074 1.00 0.00 N ATOM 1151 CA GLY A 76 8.036 8.165 6.497 1.00 0.00 C ATOM 1152 C GLY A 76 6.843 7.422 7.071 1.00 0.00 C ATOM 1153 O GLY A 76 6.776 7.192 8.278 1.00 0.00 O ATOM 0 H GLY A 76 7.993 7.596 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.940 7.585 6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.153 9.113 7.023 1.00 0.00 H new ATOM 1157 N ASP A 77 5.900 7.044 6.213 1.00 0.00 N ATOM 1158 CA ASP A 77 4.714 6.325 6.661 1.00 0.00 C ATOM 1159 C ASP A 77 4.989 4.828 6.757 1.00 0.00 C ATOM 1160 O ASP A 77 6.107 4.374 6.514 1.00 0.00 O ATOM 1161 CB ASP A 77 3.542 6.583 5.711 1.00 0.00 C ATOM 1162 CG ASP A 77 2.331 7.150 6.426 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.395 8.317 6.868 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.320 6.427 6.546 1.00 0.00 O ATOM 0 H ASP A 77 5.934 7.223 5.209 1.00 0.00 H new ATOM 0 HA ASP A 77 4.452 6.692 7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.857 7.276 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.266 5.651 5.218 1.00 0.00 H new ATOM 1169 N ARG A 78 3.959 4.069 7.106 1.00 0.00 N ATOM 1170 CA ARG A 78 4.075 2.621 7.230 1.00 0.00 C ATOM 1171 C ARG A 78 2.771 1.951 6.829 1.00 0.00 C ATOM 1172 O ARG A 78 1.693 2.521 6.997 1.00 0.00 O ATOM 1173 CB ARG A 78 4.449 2.232 8.661 1.00 0.00 C ATOM 1174 CG ARG A 78 3.574 2.889 9.717 1.00 0.00 C ATOM 1175 CD ARG A 78 4.409 3.583 10.782 1.00 0.00 C ATOM 1176 NE ARG A 78 3.621 3.911 11.968 1.00 0.00 N ATOM 1177 CZ ARG A 78 4.109 4.551 13.029 1.00 0.00 C ATOM 1178 NH1 ARG A 78 5.380 4.934 13.054 1.00 0.00 N ATOM 1179 NH2 ARG A 78 3.325 4.809 14.066 1.00 0.00 N ATOM 0 H ARG A 78 3.029 4.434 7.309 1.00 0.00 H new ATOM 0 HA ARG A 78 4.865 2.281 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.379 1.149 8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.489 2.503 8.843 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.912 3.614 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.939 2.136 10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.241 2.939 11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.838 4.495 10.368 1.00 0.00 H new ATOM 0 HE ARG A 78 2.640 3.633 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.987 4.738 12.258 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.749 5.424 13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.348 4.517 14.052 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.699 5.299 14.879 1.00 0.00 H new ATOM 1193 N ILE A 79 2.872 0.747 6.284 1.00 0.00 N ATOM 1194 CA ILE A 79 1.691 0.022 5.849 1.00 0.00 C ATOM 1195 C ILE A 79 1.839 -1.476 6.049 1.00 0.00 C ATOM 1196 O ILE A 79 2.942 -1.986 6.248 1.00 0.00 O ATOM 1197 CB ILE A 79 1.384 0.294 4.367 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.677 0.410 3.556 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.549 1.554 4.227 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.450 0.466 2.060 1.00 0.00 C ATOM 0 H ILE A 79 3.753 0.256 6.134 1.00 0.00 H new ATOM 0 HA ILE A 79 0.867 0.382 6.466 1.00 0.00 H new ATOM 0 HB ILE A 79 0.814 -0.547 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.213 1.307 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.318 -0.441 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.338 1.736 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.389 1.431 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.097 2.401 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.409 0.548 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.942 -0.442 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.835 1.333 1.818 1.00 0.00 H new ATOM 1212 N THR A 80 0.714 -2.175 5.986 1.00 0.00 N ATOM 1213 CA THR A 80 0.699 -3.621 6.150 1.00 0.00 C ATOM 1214 C THR A 80 -0.082 -4.275 5.019 1.00 0.00 C ATOM 1215 O THR A 80 -1.209 -3.879 4.718 1.00 0.00 O ATOM 1216 CB THR A 80 0.082 -3.999 7.494 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.801 -3.407 8.561 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.048 -5.494 7.735 1.00 0.00 C ATOM 0 H THR A 80 -0.204 -1.761 5.822 1.00 0.00 H new ATOM 0 HA THR A 80 1.728 -3.980 6.122 1.00 0.00 H new ATOM 0 HB THR A 80 -0.943 -3.629 7.457 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.389 -3.660 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.402 -5.696 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.542 -5.975 6.955 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.064 -5.889 7.717 1.00 0.00 H new ATOM 1226 N ILE A 81 0.522 -5.276 4.396 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.115 -5.985 3.298 1.00 0.00 C ATOM 1228 C ILE A 81 -0.688 -7.316 3.764 1.00 0.00 C ATOM 1229 O ILE A 81 -0.221 -7.897 4.741 1.00 0.00 O ATOM 1230 CB ILE A 81 0.877 -6.244 2.147 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.645 -4.966 1.812 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.143 -6.770 0.922 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.751 -3.795 1.466 1.00 0.00 C ATOM 0 H ILE A 81 1.454 -5.616 4.633 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.923 -5.349 2.937 1.00 0.00 H new ATOM 0 HB ILE A 81 1.593 -7.001 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.272 -4.695 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.313 -5.163 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.857 -6.948 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.361 -7.703 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.594 -6.036 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.365 -2.923 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.143 -4.046 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.101 -3.571 2.312 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.702 -7.795 3.059 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.329 -9.064 3.401 1.00 0.00 C ATOM 1247 C GLU A 82 -2.561 -9.901 2.147 1.00 0.00 C ATOM 1248 O GLU A 82 -3.315 -9.511 1.257 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.649 -8.827 4.144 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.627 -9.992 4.064 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.845 -9.793 4.944 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.673 -9.649 6.172 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.972 -9.780 4.405 1.00 0.00 O ATOM 0 H GLU A 82 -2.108 -7.326 2.249 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.658 -9.614 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.431 -8.621 5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.128 -7.936 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.948 -10.122 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.118 -10.910 4.357 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.905 -11.055 2.088 1.00 0.00 N ATOM 1261 CA ILE A 83 -2.040 -11.948 0.947 1.00 0.00 C ATOM 1262 C ILE A 83 -3.467 -12.471 0.837 1.00 0.00 C ATOM 1263 O ILE A 83 -3.910 -13.282 1.651 1.00 0.00 O ATOM 1264 CB ILE A 83 -1.068 -13.143 1.035 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.383 -12.651 1.061 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.291 -14.091 -0.136 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.060 -12.823 2.405 1.00 0.00 C ATOM 0 H ILE A 83 -1.276 -11.392 2.817 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.793 -11.366 0.059 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.263 -13.684 1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.954 -13.190 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.405 -11.597 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.599 -14.930 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.315 -14.463 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.119 -13.560 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.084 -12.453 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.513 -12.261 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.071 -13.879 2.674 1.00 0.00 H new ATOM 1279 N LEU A 84 -4.179 -11.999 -0.175 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.555 -12.410 -0.402 1.00 0.00 C ATOM 1281 C LEU A 84 -5.617 -13.816 -0.989 1.00 0.00 C ATOM 1282 O LEU A 84 -4.591 -14.406 -1.321 1.00 0.00 O ATOM 1283 CB LEU A 84 -6.247 -11.414 -1.332 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.973 -9.942 -1.014 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.774 -9.039 -1.937 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.289 -9.637 0.445 1.00 0.00 C ATOM 0 H LEU A 84 -3.824 -11.327 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.074 -12.424 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.932 -11.615 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.323 -11.586 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.913 -9.748 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.566 -7.996 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.493 -9.235 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.838 -9.237 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.087 -8.585 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.340 -9.849 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.666 -10.258 1.090 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.830 -14.349 -1.108 1.00 0.00 N ATOM 1299 CA LYS A 85 -7.025 -15.687 -1.649 1.00 0.00 C ATOM 1300 C LYS A 85 -7.339 -15.629 -3.139 1.00 0.00 C ATOM 1301 O LYS A 85 -8.483 -15.407 -3.538 1.00 0.00 O ATOM 1302 CB LYS A 85 -8.155 -16.401 -0.903 1.00 0.00 C ATOM 1303 CG LYS A 85 -8.434 -17.805 -1.418 1.00 0.00 C ATOM 1304 CD LYS A 85 -8.222 -18.852 -0.335 1.00 0.00 C ATOM 1305 CE LYS A 85 -6.789 -18.849 0.175 1.00 0.00 C ATOM 1306 NZ LYS A 85 -6.181 -20.207 0.129 1.00 0.00 N ATOM 0 H LYS A 85 -7.691 -13.874 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.100 -16.247 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.902 -16.455 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.065 -15.806 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.459 -17.862 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.781 -18.019 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.904 -18.662 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.466 -19.838 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.191 -18.163 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.769 -18.477 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.205 -20.162 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.736 -20.856 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.177 -20.552 -0.852 1.00 0.00 H new ATOM 1320 N GLY A 86 -6.314 -15.833 -3.954 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.490 -15.805 -5.394 1.00 0.00 C ATOM 1322 C GLY A 86 -6.932 -17.144 -5.951 1.00 0.00 C ATOM 1323 O GLY A 86 -7.463 -17.172 -7.081 1.00 0.00 O ATOM 1324 OXT GLY A 86 -6.745 -18.166 -5.258 1.00 0.00 O ATOM 0 H GLY A 86 -5.360 -16.018 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.229 -15.046 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.553 -15.510 -5.866 1.00 0.00 H new TER 1328 GLY A 86