USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 79 HIS : no HD1:sc= -1.3 K(o=-2.8,f=-1.4) USER MOD Set 1.2: A 80 HIS : no HD1:sc= -1.51 K(o=-2.8,f=-3.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0254 (180deg=-0.163) USER MOD Single : A 3 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.32) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -147:sc= 0.0728 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.948 X(o=-0.95,f=-0.71) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 171:sc= 0.155 USER MOD Single : A 26 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.46) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0871 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 33 TYR OH : rot -90:sc= -2.95! USER MOD Single : A 36 MET CE :methyl -111:sc= -0.3 (180deg=-4.32!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 151:sc= -0.0487 (180deg=-1.39) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 48 GLN : amide:sc= -7.58! C(o=-7.6!,f=-12!) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc=-0.00936 (180deg=-0.17) USER MOD Single : A 55 TYR OH : rot 15:sc= -1.81 USER MOD Single : A 57 LYS NZ :NH3+ 137:sc= 0.00483 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0886 USER MOD Single : A 81 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.57) USER MOD Single : A 82 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.07) USER MOD Single : A 83 HIS : no HD1:sc= 0.142 K(o=0.14,f=-1) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.122 11.694 -14.027 1.00 0.00 N ATOM 2 CA MET A 1 1.950 10.842 -13.692 1.00 0.00 C ATOM 3 C MET A 1 2.273 9.362 -13.882 1.00 0.00 C ATOM 4 O MET A 1 1.546 8.639 -14.564 1.00 0.00 O ATOM 5 CB MET A 1 0.780 11.249 -14.590 1.00 0.00 C ATOM 6 CG MET A 1 0.418 12.721 -14.488 1.00 0.00 C ATOM 7 SD MET A 1 -1.323 13.035 -14.834 1.00 0.00 S ATOM 8 CE MET A 1 -1.352 14.826 -14.829 1.00 0.00 C ATOM 0 H1 MET A 1 2.935 12.673 -13.731 1.00 0.00 H new ATOM 0 H2 MET A 1 3.964 11.337 -13.532 1.00 0.00 H new ATOM 0 H3 MET A 1 3.288 11.669 -15.053 1.00 0.00 H new ATOM 0 HA MET A 1 1.687 10.988 -12.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.029 11.016 -15.625 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.093 10.650 -14.329 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.656 13.081 -13.487 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.031 13.291 -15.186 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.365 15.174 -15.029 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.028 15.192 -13.855 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.680 15.203 -15.600 1.00 0.00 H new ATOM 20 N GLU A 2 3.368 8.918 -13.274 1.00 0.00 N ATOM 21 CA GLU A 2 3.787 7.526 -13.376 1.00 0.00 C ATOM 22 C GLU A 2 3.284 6.717 -12.184 1.00 0.00 C ATOM 23 O GLU A 2 3.711 6.933 -11.050 1.00 0.00 O ATOM 24 CB GLU A 2 5.312 7.435 -13.460 1.00 0.00 C ATOM 25 CG GLU A 2 5.908 8.254 -14.594 1.00 0.00 C ATOM 26 CD GLU A 2 7.305 8.754 -14.281 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.452 9.545 -13.326 1.00 0.00 O ATOM 28 OE2 GLU A 2 8.251 8.354 -14.991 1.00 0.00 O ATOM 0 H GLU A 2 3.981 9.502 -12.706 1.00 0.00 H new ATOM 0 HA GLU A 2 3.354 7.109 -14.285 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.740 7.771 -12.516 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.599 6.391 -13.587 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.938 7.647 -15.499 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.260 9.105 -14.802 1.00 0.00 H new ATOM 35 N ASN A 3 2.375 5.784 -12.450 1.00 0.00 N ATOM 36 CA ASN A 3 1.814 4.942 -11.400 1.00 0.00 C ATOM 37 C ASN A 3 2.079 3.467 -11.685 1.00 0.00 C ATOM 38 O ASN A 3 1.376 2.841 -12.477 1.00 0.00 O ATOM 39 CB ASN A 3 0.309 5.185 -11.272 1.00 0.00 C ATOM 40 CG ASN A 3 -0.293 4.469 -10.079 1.00 0.00 C ATOM 41 OD1 ASN A 3 -1.280 3.745 -10.208 1.00 0.00 O ATOM 42 ND2 ASN A 3 0.299 4.669 -8.907 1.00 0.00 N ATOM 0 H ASN A 3 2.012 5.592 -13.384 1.00 0.00 H new ATOM 0 HA ASN A 3 2.299 5.205 -10.460 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.123 6.255 -11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.189 4.851 -12.182 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.063 4.214 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.115 5.277 -8.845 1.00 0.00 H new ATOM 49 N ASP A 4 3.100 2.919 -11.033 1.00 0.00 N ATOM 50 CA ASP A 4 3.460 1.517 -11.216 1.00 0.00 C ATOM 51 C ASP A 4 2.570 0.610 -10.370 1.00 0.00 C ATOM 52 O ASP A 4 1.909 1.068 -9.437 1.00 0.00 O ATOM 53 CB ASP A 4 4.929 1.295 -10.851 1.00 0.00 C ATOM 54 CG ASP A 4 5.849 1.436 -12.047 1.00 0.00 C ATOM 55 OD1 ASP A 4 5.736 2.449 -12.768 1.00 0.00 O ATOM 56 OD2 ASP A 4 6.684 0.532 -12.263 1.00 0.00 O ATOM 0 H ASP A 4 3.692 3.424 -10.374 1.00 0.00 H new ATOM 0 HA ASP A 4 3.311 1.264 -12.266 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.222 2.012 -10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.047 0.301 -10.420 1.00 0.00 H new ATOM 61 N PRO A 5 2.543 -0.697 -10.684 1.00 0.00 N ATOM 62 CA PRO A 5 1.730 -1.671 -9.947 1.00 0.00 C ATOM 63 C PRO A 5 2.238 -1.895 -8.525 1.00 0.00 C ATOM 64 O PRO A 5 1.500 -2.367 -7.660 1.00 0.00 O ATOM 65 CB PRO A 5 1.870 -2.953 -10.772 1.00 0.00 C ATOM 66 CG PRO A 5 3.161 -2.798 -11.499 1.00 0.00 C ATOM 67 CD PRO A 5 3.302 -1.328 -11.780 1.00 0.00 C ATOM 0 HA PRO A 5 0.700 -1.334 -9.832 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.879 -3.836 -10.133 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.037 -3.070 -11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.994 -3.162 -10.898 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.160 -3.374 -12.424 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.347 -1.017 -11.777 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.894 -1.064 -12.756 1.00 0.00 H new ATOM 75 N THR A 6 3.501 -1.555 -8.291 1.00 0.00 N ATOM 76 CA THR A 6 4.106 -1.719 -6.974 1.00 0.00 C ATOM 77 C THR A 6 3.861 -0.495 -6.093 1.00 0.00 C ATOM 78 O THR A 6 4.153 -0.517 -4.899 1.00 0.00 O ATOM 79 CB THR A 6 5.609 -1.965 -7.110 1.00 0.00 C ATOM 80 OG1 THR A 6 6.252 -0.837 -7.677 1.00 0.00 O ATOM 81 CG2 THR A 6 5.944 -3.165 -7.969 1.00 0.00 C ATOM 0 H THR A 6 4.126 -1.164 -8.996 1.00 0.00 H new ATOM 0 HA THR A 6 3.639 -2.581 -6.498 1.00 0.00 H new ATOM 0 HB THR A 6 5.964 -2.154 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.213 -1.013 -7.754 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.026 -3.282 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.504 -4.061 -7.531 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.544 -3.017 -8.972 1.00 0.00 H new ATOM 89 N VAL A 7 3.326 0.572 -6.681 1.00 0.00 N ATOM 90 CA VAL A 7 3.050 1.792 -5.931 1.00 0.00 C ATOM 91 C VAL A 7 1.618 1.805 -5.408 1.00 0.00 C ATOM 92 O VAL A 7 0.663 1.777 -6.184 1.00 0.00 O ATOM 93 CB VAL A 7 3.275 3.050 -6.788 1.00 0.00 C ATOM 94 CG1 VAL A 7 3.304 4.293 -5.912 1.00 0.00 C ATOM 95 CG2 VAL A 7 4.557 2.929 -7.598 1.00 0.00 C ATOM 0 H VAL A 7 3.076 0.616 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 7 3.746 1.804 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 7 2.443 3.143 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.464 5.173 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.355 4.389 -5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.114 4.209 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.696 3.830 -8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.404 2.808 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.491 2.063 -8.256 1.00 0.00 H new ATOM 105 N LEU A 8 1.478 1.852 -4.089 1.00 0.00 N ATOM 106 CA LEU A 8 0.163 1.873 -3.460 1.00 0.00 C ATOM 107 C LEU A 8 -0.329 3.306 -3.281 1.00 0.00 C ATOM 108 O LEU A 8 0.423 4.182 -2.855 1.00 0.00 O ATOM 109 CB LEU A 8 0.208 1.158 -2.108 1.00 0.00 C ATOM 110 CG LEU A 8 -0.984 0.245 -1.821 1.00 0.00 C ATOM 111 CD1 LEU A 8 -0.745 -0.568 -0.559 1.00 0.00 C ATOM 112 CD2 LEU A 8 -2.261 1.062 -1.699 1.00 0.00 C ATOM 0 H LEU A 8 2.259 1.876 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.535 1.349 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.121 0.565 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.271 1.908 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.096 -0.447 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.605 -1.211 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.147 -1.182 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.605 0.105 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.100 0.397 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.158 1.778 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.441 1.597 -2.631 1.00 0.00 H new ATOM 124 N ARG A 9 -1.596 3.539 -3.611 1.00 0.00 N ATOM 125 CA ARG A 9 -2.184 4.867 -3.487 1.00 0.00 C ATOM 126 C ARG A 9 -3.681 4.778 -3.204 1.00 0.00 C ATOM 127 O ARG A 9 -4.379 3.928 -3.756 1.00 0.00 O ATOM 128 CB ARG A 9 -1.939 5.673 -4.763 1.00 0.00 C ATOM 129 CG ARG A 9 -0.508 5.587 -5.267 1.00 0.00 C ATOM 130 CD ARG A 9 -0.230 6.626 -6.340 1.00 0.00 C ATOM 131 NE ARG A 9 1.180 7.007 -6.383 1.00 0.00 N ATOM 132 CZ ARG A 9 1.654 8.011 -7.116 1.00 0.00 C ATOM 133 NH1 ARG A 9 0.837 8.737 -7.869 1.00 0.00 N ATOM 134 NH2 ARG A 9 2.950 8.291 -7.096 1.00 0.00 N ATOM 0 H ARG A 9 -2.234 2.826 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.707 5.373 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.613 5.318 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.189 6.718 -4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.181 5.730 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.322 4.591 -5.668 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.529 6.232 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.839 7.511 -6.154 1.00 0.00 H new ATOM 0 HE ARG A 9 1.839 6.472 -5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.161 8.527 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.207 9.505 -8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.583 7.737 -6.519 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.314 9.061 -7.658 1.00 0.00 H new ATOM 148 N SER A 10 -4.165 5.662 -2.336 1.00 0.00 N ATOM 149 CA SER A 10 -5.577 5.684 -1.974 1.00 0.00 C ATOM 150 C SER A 10 -6.439 6.130 -3.153 1.00 0.00 C ATOM 151 O SER A 10 -5.995 6.906 -3.999 1.00 0.00 O ATOM 152 CB SER A 10 -5.803 6.615 -0.780 1.00 0.00 C ATOM 153 OG SER A 10 -6.587 5.984 0.218 1.00 0.00 O ATOM 0 H SER A 10 -3.599 6.372 -1.871 1.00 0.00 H new ATOM 0 HA SER A 10 -5.871 4.671 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.842 6.911 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.299 7.526 -1.114 1.00 0.00 H new ATOM 0 HG SER A 10 -7.139 6.654 0.672 1.00 0.00 H new ATOM 159 N PRO A 11 -7.690 5.642 -3.222 1.00 0.00 N ATOM 160 CA PRO A 11 -8.616 5.991 -4.303 1.00 0.00 C ATOM 161 C PRO A 11 -9.184 7.399 -4.151 1.00 0.00 C ATOM 162 O PRO A 11 -9.592 8.022 -5.131 1.00 0.00 O ATOM 163 CB PRO A 11 -9.725 4.950 -4.160 1.00 0.00 C ATOM 164 CG PRO A 11 -9.728 4.602 -2.712 1.00 0.00 C ATOM 165 CD PRO A 11 -8.298 4.709 -2.253 1.00 0.00 C ATOM 0 HA PRO A 11 -8.128 5.988 -5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.689 5.352 -4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.529 4.074 -4.778 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.369 5.281 -2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.113 3.595 -2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.232 5.090 -1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.800 3.739 -2.264 1.00 0.00 H new ATOM 173 N SER A 12 -9.210 7.896 -2.918 1.00 0.00 N ATOM 174 CA SER A 12 -9.731 9.230 -2.643 1.00 0.00 C ATOM 175 C SER A 12 -9.085 9.825 -1.397 1.00 0.00 C ATOM 176 O SER A 12 -8.362 9.141 -0.672 1.00 0.00 O ATOM 177 CB SER A 12 -11.250 9.183 -2.469 1.00 0.00 C ATOM 178 OG SER A 12 -11.653 7.988 -1.822 1.00 0.00 O ATOM 0 H SER A 12 -8.877 7.395 -2.094 1.00 0.00 H new ATOM 0 HA SER A 12 -9.488 9.866 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.579 10.044 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.733 9.253 -3.444 1.00 0.00 H new ATOM 0 HG SER A 12 -12.628 7.983 -1.721 1.00 0.00 H new ATOM 184 N ALA A 13 -9.351 11.105 -1.156 1.00 0.00 N ATOM 185 CA ALA A 13 -8.798 11.799 0.000 1.00 0.00 C ATOM 186 C ALA A 13 -9.533 11.416 1.281 1.00 0.00 C ATOM 187 O ALA A 13 -10.758 11.508 1.357 1.00 0.00 O ATOM 188 CB ALA A 13 -8.859 13.303 -0.214 1.00 0.00 C ATOM 0 H ALA A 13 -9.948 11.683 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.757 11.496 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.443 13.811 0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.282 13.568 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.896 13.609 -0.352 1.00 0.00 H new ATOM 194 N GLY A 14 -8.775 10.989 2.286 1.00 0.00 N ATOM 195 CA GLY A 14 -9.369 10.602 3.553 1.00 0.00 C ATOM 196 C GLY A 14 -8.465 10.909 4.731 1.00 0.00 C ATOM 197 O GLY A 14 -7.957 12.023 4.858 1.00 0.00 O ATOM 0 H GLY A 14 -7.759 10.904 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.318 11.123 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.591 9.535 3.537 1.00 0.00 H new ATOM 201 N LYS A 15 -8.262 9.918 5.593 1.00 0.00 N ATOM 202 CA LYS A 15 -7.411 10.086 6.766 1.00 0.00 C ATOM 203 C LYS A 15 -6.997 8.732 7.331 1.00 0.00 C ATOM 204 O LYS A 15 -7.815 7.821 7.445 1.00 0.00 O ATOM 205 CB LYS A 15 -8.136 10.899 7.839 1.00 0.00 C ATOM 206 CG LYS A 15 -7.253 11.266 9.022 1.00 0.00 C ATOM 207 CD LYS A 15 -7.549 10.395 10.232 1.00 0.00 C ATOM 208 CE LYS A 15 -8.740 10.919 11.019 1.00 0.00 C ATOM 209 NZ LYS A 15 -8.369 12.072 11.885 1.00 0.00 N ATOM 0 H LYS A 15 -8.675 8.990 5.501 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.514 10.624 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.526 11.812 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.993 10.329 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.205 11.157 8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.407 12.314 9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.748 9.374 9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.672 10.359 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.527 11.222 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.148 10.118 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.208 12.400 12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.636 11.777 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.003 12.846 11.295 1.00 0.00 H new ATOM 223 N LEU A 16 -5.721 8.607 7.683 1.00 0.00 N ATOM 224 CA LEU A 16 -5.198 7.362 8.235 1.00 0.00 C ATOM 225 C LEU A 16 -5.790 7.085 9.613 1.00 0.00 C ATOM 226 O LEU A 16 -5.329 7.627 10.618 1.00 0.00 O ATOM 227 CB LEU A 16 -3.672 7.425 8.328 1.00 0.00 C ATOM 228 CG LEU A 16 -2.967 6.067 8.356 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.413 5.209 7.182 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.457 6.252 8.340 1.00 0.00 C ATOM 0 H LEU A 16 -5.030 9.352 7.596 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.484 6.549 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.295 7.995 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.401 7.976 9.228 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.242 5.555 9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.901 4.247 7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.490 5.049 7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.168 5.715 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.971 5.277 8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.165 6.784 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.152 6.828 9.214 1.00 0.00 H new ATOM 242 N THR A 17 -6.815 6.239 9.654 1.00 0.00 N ATOM 243 CA THR A 17 -7.470 5.891 10.909 1.00 0.00 C ATOM 244 C THR A 17 -6.633 4.897 11.713 1.00 0.00 C ATOM 245 O THR A 17 -6.468 5.049 12.923 1.00 0.00 O ATOM 246 CB THR A 17 -8.866 5.317 10.643 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.627 5.277 11.836 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.846 3.917 10.068 1.00 0.00 C ATOM 0 H THR A 17 -7.210 5.782 8.832 1.00 0.00 H new ATOM 0 HA THR A 17 -7.570 6.803 11.498 1.00 0.00 H new ATOM 0 HB THR A 17 -9.313 5.986 9.907 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.515 4.909 11.645 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.868 3.576 9.906 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.310 3.921 9.119 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.345 3.245 10.765 1.00 0.00 H new ATOM 256 N GLN A 18 -6.109 3.878 11.035 1.00 0.00 N ATOM 257 CA GLN A 18 -5.295 2.862 11.693 1.00 0.00 C ATOM 258 C GLN A 18 -4.556 2.006 10.666 1.00 0.00 C ATOM 259 O GLN A 18 -4.426 2.391 9.504 1.00 0.00 O ATOM 260 CB GLN A 18 -6.176 1.982 12.586 1.00 0.00 C ATOM 261 CG GLN A 18 -5.779 2.012 14.053 1.00 0.00 C ATOM 262 CD GLN A 18 -4.314 1.690 14.268 1.00 0.00 C ATOM 263 OE1 GLN A 18 -3.473 2.586 14.341 1.00 0.00 O ATOM 264 NE2 GLN A 18 -4.000 0.403 14.371 1.00 0.00 N ATOM 0 H GLN A 18 -6.234 3.735 10.033 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.551 3.364 12.312 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.212 2.306 12.492 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.130 0.954 12.227 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.994 2.999 14.463 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.389 1.297 14.605 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.729 -0.307 14.305 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.029 0.125 14.517 1.00 0.00 H new ATOM 273 N TYR A 19 -4.073 0.844 11.100 1.00 0.00 N ATOM 274 CA TYR A 19 -3.349 -0.062 10.215 1.00 0.00 C ATOM 275 C TYR A 19 -3.549 -1.513 10.641 1.00 0.00 C ATOM 276 O TYR A 19 -3.546 -1.827 11.831 1.00 0.00 O ATOM 277 CB TYR A 19 -1.858 0.279 10.210 1.00 0.00 C ATOM 278 CG TYR A 19 -1.193 0.106 11.557 1.00 0.00 C ATOM 279 CD1 TYR A 19 -1.208 1.128 12.497 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.551 -1.081 11.889 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.601 0.974 13.729 1.00 0.00 C ATOM 282 CE2 TYR A 19 0.058 -1.243 13.119 1.00 0.00 C ATOM 283 CZ TYR A 19 0.030 -0.213 14.035 1.00 0.00 C ATOM 284 OH TYR A 19 0.635 -0.371 15.261 1.00 0.00 O ATOM 0 H TYR A 19 -4.170 0.509 12.058 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.746 0.060 9.207 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.352 -0.353 9.480 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.731 1.310 9.881 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.702 2.059 12.261 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.528 -1.890 11.174 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.621 1.779 14.448 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.553 -2.172 13.361 1.00 0.00 H new ATOM 0 HH TYR A 19 1.032 -1.265 15.317 1.00 0.00 H new ATOM 294 N THR A 20 -3.728 -2.392 9.660 1.00 0.00 N ATOM 295 CA THR A 20 -3.936 -3.810 9.930 1.00 0.00 C ATOM 296 C THR A 20 -2.630 -4.599 9.839 1.00 0.00 C ATOM 297 O THR A 20 -2.590 -5.783 10.173 1.00 0.00 O ATOM 298 CB THR A 20 -4.960 -4.390 8.952 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.365 -4.632 7.689 1.00 0.00 O ATOM 300 CG2 THR A 20 -6.155 -3.487 8.731 1.00 0.00 C ATOM 0 H THR A 20 -3.733 -2.147 8.670 1.00 0.00 H new ATOM 0 HA THR A 20 -4.314 -3.899 10.949 1.00 0.00 H new ATOM 0 HB THR A 20 -5.305 -5.317 9.411 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.987 -5.138 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.842 -3.958 8.027 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.665 -3.320 9.680 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.820 -2.532 8.327 1.00 0.00 H new ATOM 308 N VAL A 21 -1.563 -3.945 9.385 1.00 0.00 N ATOM 309 CA VAL A 21 -0.268 -4.603 9.256 1.00 0.00 C ATOM 310 C VAL A 21 0.878 -3.616 9.446 1.00 0.00 C ATOM 311 O VAL A 21 0.806 -2.469 9.004 1.00 0.00 O ATOM 312 CB VAL A 21 -0.120 -5.285 7.884 1.00 0.00 C ATOM 313 CG1 VAL A 21 -1.141 -6.402 7.729 1.00 0.00 C ATOM 314 CG2 VAL A 21 -0.257 -4.268 6.761 1.00 0.00 C ATOM 0 H VAL A 21 -1.571 -2.965 9.102 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.222 -5.360 10.039 1.00 0.00 H new ATOM 0 HB VAL A 21 0.876 -5.723 7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.021 -6.872 6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.988 -7.146 8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.147 -5.990 7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.149 -4.771 5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.238 -3.796 6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.518 -3.508 6.862 1.00 0.00 H new ATOM 324 N GLU A 22 1.937 -4.072 10.108 1.00 0.00 N ATOM 325 CA GLU A 22 3.104 -3.235 10.361 1.00 0.00 C ATOM 326 C GLU A 22 3.846 -2.925 9.065 1.00 0.00 C ATOM 327 O GLU A 22 3.436 -3.352 7.985 1.00 0.00 O ATOM 328 CB GLU A 22 4.047 -3.927 11.347 1.00 0.00 C ATOM 329 CG GLU A 22 4.637 -5.224 10.815 1.00 0.00 C ATOM 330 CD GLU A 22 4.531 -6.364 11.808 1.00 0.00 C ATOM 331 OE1 GLU A 22 3.475 -7.031 11.836 1.00 0.00 O ATOM 332 OE2 GLU A 22 5.504 -6.591 12.558 1.00 0.00 O ATOM 0 H GLU A 22 2.011 -5.019 10.480 1.00 0.00 H new ATOM 0 HA GLU A 22 2.759 -2.296 10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.859 -3.245 11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.506 -4.135 12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.124 -5.501 9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.685 -5.065 10.561 1.00 0.00 H new ATOM 339 N ASP A 23 4.942 -2.182 9.181 1.00 0.00 N ATOM 340 CA ASP A 23 5.745 -1.817 8.020 1.00 0.00 C ATOM 341 C ASP A 23 6.269 -3.061 7.309 1.00 0.00 C ATOM 342 O ASP A 23 6.959 -3.886 7.909 1.00 0.00 O ATOM 343 CB ASP A 23 6.914 -0.926 8.442 1.00 0.00 C ATOM 344 CG ASP A 23 7.718 -0.428 7.257 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.205 0.434 6.512 1.00 0.00 O ATOM 346 OD2 ASP A 23 8.860 -0.899 7.073 1.00 0.00 O ATOM 0 H ASP A 23 5.294 -1.821 10.068 1.00 0.00 H new ATOM 0 HA ASP A 23 5.109 -1.265 7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.533 -0.073 9.003 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.568 -1.483 9.113 1.00 0.00 H new ATOM 351 N GLY A 24 5.935 -3.191 6.030 1.00 0.00 N ATOM 352 CA GLY A 24 6.379 -4.338 5.260 1.00 0.00 C ATOM 353 C GLY A 24 5.540 -5.573 5.524 1.00 0.00 C ATOM 354 O GLY A 24 6.015 -6.698 5.374 1.00 0.00 O ATOM 0 H GLY A 24 5.365 -2.522 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.340 -4.096 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.421 -4.552 5.500 1.00 0.00 H new ATOM 358 N GLY A 25 4.288 -5.362 5.919 1.00 0.00 N ATOM 359 CA GLY A 25 3.401 -6.475 6.198 1.00 0.00 C ATOM 360 C GLY A 25 3.048 -7.263 4.951 1.00 0.00 C ATOM 361 O GLY A 25 2.370 -6.753 4.059 1.00 0.00 O ATOM 0 H GLY A 25 3.873 -4.440 6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.873 -7.139 6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.487 -6.100 6.658 1.00 0.00 H new ATOM 365 N HIS A 26 3.508 -8.508 4.890 1.00 0.00 N ATOM 366 CA HIS A 26 3.237 -9.367 3.743 1.00 0.00 C ATOM 367 C HIS A 26 1.740 -9.614 3.587 1.00 0.00 C ATOM 368 O HIS A 26 1.097 -10.171 4.477 1.00 0.00 O ATOM 369 CB HIS A 26 3.972 -10.700 3.893 1.00 0.00 C ATOM 370 CG HIS A 26 4.390 -11.304 2.588 1.00 0.00 C ATOM 371 ND1 HIS A 26 3.587 -11.305 1.467 1.00 0.00 N ATOM 372 CD2 HIS A 26 5.537 -11.929 2.228 1.00 0.00 C ATOM 373 CE1 HIS A 26 4.221 -11.905 0.474 1.00 0.00 C ATOM 374 NE2 HIS A 26 5.405 -12.292 0.910 1.00 0.00 N ATOM 0 H HIS A 26 4.070 -8.945 5.621 1.00 0.00 H new ATOM 0 HA HIS A 26 3.597 -8.859 2.849 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.855 -10.551 4.514 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.327 -11.404 4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.395 -12.108 2.859 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.836 -12.053 -0.524 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.109 -12.782 0.357 1.00 0.00 H new ATOM 383 N VAL A 27 1.191 -9.197 2.450 1.00 0.00 N ATOM 384 CA VAL A 27 -0.230 -9.373 2.177 1.00 0.00 C ATOM 385 C VAL A 27 -0.478 -9.627 0.694 1.00 0.00 C ATOM 386 O VAL A 27 0.126 -8.985 -0.165 1.00 0.00 O ATOM 387 CB VAL A 27 -1.044 -8.142 2.617 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.962 -7.956 4.124 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.561 -6.895 1.892 1.00 0.00 C ATOM 0 H VAL A 27 1.710 -8.735 1.703 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.556 -10.240 2.752 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.088 -8.308 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.544 -7.081 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.362 -8.839 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.078 -7.814 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.148 -6.036 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.490 -6.724 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.679 -7.031 0.817 1.00 0.00 H new ATOM 399 N GLU A 28 -1.371 -10.566 0.400 1.00 0.00 N ATOM 400 CA GLU A 28 -1.698 -10.902 -0.981 1.00 0.00 C ATOM 401 C GLU A 28 -2.754 -9.949 -1.536 1.00 0.00 C ATOM 402 O GLU A 28 -3.459 -9.281 -0.780 1.00 0.00 O ATOM 403 CB GLU A 28 -2.193 -12.348 -1.075 1.00 0.00 C ATOM 404 CG GLU A 28 -3.574 -12.563 -0.473 1.00 0.00 C ATOM 405 CD GLU A 28 -3.584 -13.632 0.602 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.893 -14.658 0.426 1.00 0.00 O ATOM 407 OE2 GLU A 28 -4.282 -13.444 1.621 1.00 0.00 O ATOM 0 H GLU A 28 -1.881 -11.107 1.098 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.792 -10.799 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.212 -12.649 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.481 -13.000 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.931 -11.624 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.271 -12.842 -1.263 1.00 0.00 H new ATOM 414 N ALA A 29 -2.857 -9.894 -2.861 1.00 0.00 N ATOM 415 CA ALA A 29 -3.827 -9.025 -3.521 1.00 0.00 C ATOM 416 C ALA A 29 -5.214 -9.163 -2.898 1.00 0.00 C ATOM 417 O ALA A 29 -5.744 -10.268 -2.779 1.00 0.00 O ATOM 418 CB ALA A 29 -3.882 -9.333 -5.010 1.00 0.00 C ATOM 0 H ALA A 29 -2.280 -10.442 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.502 -7.994 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.609 -8.678 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.899 -9.170 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.177 -10.372 -5.156 1.00 0.00 H new ATOM 424 N GLY A 30 -5.797 -8.035 -2.505 1.00 0.00 N ATOM 425 CA GLY A 30 -7.117 -8.054 -1.902 1.00 0.00 C ATOM 426 C GLY A 30 -7.071 -7.939 -0.391 1.00 0.00 C ATOM 427 O GLY A 30 -8.027 -7.477 0.232 1.00 0.00 O ATOM 0 H GLY A 30 -5.379 -7.109 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.709 -7.233 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.624 -8.979 -2.177 1.00 0.00 H new ATOM 431 N SER A 31 -5.958 -8.361 0.202 1.00 0.00 N ATOM 432 CA SER A 31 -5.795 -8.304 1.650 1.00 0.00 C ATOM 433 C SER A 31 -5.613 -6.865 2.121 1.00 0.00 C ATOM 434 O SER A 31 -4.805 -6.118 1.569 1.00 0.00 O ATOM 435 CB SER A 31 -4.596 -9.150 2.083 1.00 0.00 C ATOM 436 OG SER A 31 -4.234 -8.873 3.425 1.00 0.00 O ATOM 0 H SER A 31 -5.157 -8.746 -0.298 1.00 0.00 H new ATOM 0 HA SER A 31 -6.699 -8.706 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.837 -10.208 1.979 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.750 -8.950 1.426 1.00 0.00 H new ATOM 0 HG SER A 31 -3.466 -9.427 3.678 1.00 0.00 H new ATOM 442 N SER A 32 -6.369 -6.482 3.145 1.00 0.00 N ATOM 443 CA SER A 32 -6.292 -5.132 3.690 1.00 0.00 C ATOM 444 C SER A 32 -4.939 -4.890 4.352 1.00 0.00 C ATOM 445 O SER A 32 -4.439 -5.735 5.094 1.00 0.00 O ATOM 446 CB SER A 32 -7.416 -4.902 4.701 1.00 0.00 C ATOM 447 OG SER A 32 -7.542 -6.003 5.584 1.00 0.00 O ATOM 0 H SER A 32 -7.042 -7.088 3.614 1.00 0.00 H new ATOM 0 HA SER A 32 -6.405 -4.427 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.216 -3.995 5.272 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.357 -4.745 4.174 1.00 0.00 H new ATOM 0 HG SER A 32 -8.266 -5.830 6.221 1.00 0.00 H new ATOM 453 N TYR A 33 -4.354 -3.729 4.079 1.00 0.00 N ATOM 454 CA TYR A 33 -3.058 -3.371 4.649 1.00 0.00 C ATOM 455 C TYR A 33 -3.181 -2.185 5.606 1.00 0.00 C ATOM 456 O TYR A 33 -2.240 -1.864 6.332 1.00 0.00 O ATOM 457 CB TYR A 33 -2.063 -3.041 3.533 1.00 0.00 C ATOM 458 CG TYR A 33 -2.374 -1.754 2.801 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.868 -0.540 3.248 1.00 0.00 C ATOM 460 CD2 TYR A 33 -3.175 -1.753 1.667 1.00 0.00 C ATOM 461 CE1 TYR A 33 -2.151 0.639 2.584 1.00 0.00 C ATOM 462 CE2 TYR A 33 -3.462 -0.579 0.997 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.948 0.614 1.460 1.00 0.00 C ATOM 464 OH TYR A 33 -3.232 1.785 0.796 1.00 0.00 O ATOM 0 H TYR A 33 -4.756 -3.019 3.467 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.693 -4.228 5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.062 -2.973 3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.049 -3.862 2.816 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.243 -0.517 4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.581 -2.685 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.750 1.575 2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.086 -0.596 0.115 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.049 2.181 1.166 1.00 0.00 H new ATOM 474 N ALA A 34 -4.342 -1.535 5.599 1.00 0.00 N ATOM 475 CA ALA A 34 -4.580 -0.386 6.463 1.00 0.00 C ATOM 476 C ALA A 34 -6.036 0.052 6.396 1.00 0.00 C ATOM 477 O ALA A 34 -6.878 -0.641 5.825 1.00 0.00 O ATOM 478 CB ALA A 34 -3.662 0.764 6.076 1.00 0.00 C ATOM 0 H ALA A 34 -5.132 -1.786 5.004 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.361 -0.680 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.850 1.616 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.623 0.451 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.854 1.051 5.042 1.00 0.00 H new ATOM 484 N GLU A 35 -6.327 1.204 6.985 1.00 0.00 N ATOM 485 CA GLU A 35 -7.683 1.735 6.996 1.00 0.00 C ATOM 486 C GLU A 35 -7.665 3.259 6.959 1.00 0.00 C ATOM 487 O GLU A 35 -6.662 3.883 7.306 1.00 0.00 O ATOM 488 CB GLU A 35 -8.427 1.246 8.241 1.00 0.00 C ATOM 489 CG GLU A 35 -9.935 1.417 8.162 1.00 0.00 C ATOM 490 CD GLU A 35 -10.634 1.027 9.450 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.416 1.708 10.474 1.00 0.00 O ATOM 492 OE2 GLU A 35 -11.401 0.041 9.434 1.00 0.00 O ATOM 0 H GLU A 35 -5.641 1.789 7.462 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.202 1.376 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.198 0.192 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.055 1.787 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.167 2.456 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.323 0.810 7.344 1.00 0.00 H new ATOM 499 N MET A 36 -8.775 3.855 6.536 1.00 0.00 N ATOM 500 CA MET A 36 -8.871 5.307 6.458 1.00 0.00 C ATOM 501 C MET A 36 -10.306 5.777 6.677 1.00 0.00 C ATOM 502 O MET A 36 -11.220 5.380 5.953 1.00 0.00 O ATOM 503 CB MET A 36 -8.350 5.807 5.107 1.00 0.00 C ATOM 504 CG MET A 36 -9.279 5.512 3.939 1.00 0.00 C ATOM 505 SD MET A 36 -8.581 6.013 2.354 1.00 0.00 S ATOM 506 CE MET A 36 -9.793 7.216 1.815 1.00 0.00 C ATOM 0 H MET A 36 -9.616 3.358 6.244 1.00 0.00 H new ATOM 0 HA MET A 36 -8.252 5.726 7.251 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.189 6.883 5.167 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.380 5.350 4.911 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.498 4.444 3.914 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.227 6.028 4.094 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.341 6.822 0.959 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.489 7.421 2.629 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.288 8.138 1.528 1.00 0.00 H new ATOM 516 N GLU A 37 -10.494 6.626 7.682 1.00 0.00 N ATOM 517 CA GLU A 37 -11.813 7.156 8.001 1.00 0.00 C ATOM 518 C GLU A 37 -12.066 8.464 7.258 1.00 0.00 C ATOM 519 O GLU A 37 -11.529 9.510 7.622 1.00 0.00 O ATOM 520 CB GLU A 37 -11.945 7.379 9.509 1.00 0.00 C ATOM 521 CG GLU A 37 -13.384 7.471 9.987 1.00 0.00 C ATOM 522 CD GLU A 37 -13.492 7.545 11.498 1.00 0.00 C ATOM 523 OE1 GLU A 37 -13.004 6.616 12.174 1.00 0.00 O ATOM 524 OE2 GLU A 37 -14.066 8.532 12.004 1.00 0.00 O ATOM 0 H GLU A 37 -9.747 6.962 8.290 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.558 6.427 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.448 6.563 10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.422 8.296 9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.853 8.352 9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.938 6.604 9.629 1.00 0.00 H new ATOM 531 N VAL A 38 -12.887 8.396 6.217 1.00 0.00 N ATOM 532 CA VAL A 38 -13.214 9.574 5.424 1.00 0.00 C ATOM 533 C VAL A 38 -14.464 10.263 5.970 1.00 0.00 C ATOM 534 O VAL A 38 -15.183 9.695 6.792 1.00 0.00 O ATOM 535 CB VAL A 38 -13.425 9.200 3.939 1.00 0.00 C ATOM 536 CG1 VAL A 38 -14.642 8.303 3.772 1.00 0.00 C ATOM 537 CG2 VAL A 38 -13.549 10.448 3.079 1.00 0.00 C ATOM 0 H VAL A 38 -13.338 7.537 5.902 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.373 10.264 5.492 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.549 8.644 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.769 8.054 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.501 7.388 4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.530 8.824 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.697 10.160 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.400 11.039 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.639 11.041 3.165 1.00 0.00 H new ATOM 547 N MET A 39 -14.714 11.490 5.521 1.00 0.00 N ATOM 548 CA MET A 39 -15.872 12.250 5.981 1.00 0.00 C ATOM 549 C MET A 39 -17.168 11.473 5.761 1.00 0.00 C ATOM 550 O MET A 39 -18.154 11.683 6.467 1.00 0.00 O ATOM 551 CB MET A 39 -15.944 13.596 5.258 1.00 0.00 C ATOM 552 CG MET A 39 -14.610 14.323 5.191 1.00 0.00 C ATOM 553 SD MET A 39 -14.713 16.029 5.766 1.00 0.00 S ATOM 554 CE MET A 39 -15.320 16.847 4.292 1.00 0.00 C ATOM 0 H MET A 39 -14.132 11.978 4.841 1.00 0.00 H new ATOM 0 HA MET A 39 -15.754 12.422 7.051 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.312 13.435 4.245 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.670 14.232 5.764 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.878 13.785 5.793 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.247 14.312 4.163 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.436 17.913 4.489 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.610 16.704 3.478 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.284 16.423 4.011 1.00 0.00 H new ATOM 564 N LYS A 40 -17.159 10.572 4.785 1.00 0.00 N ATOM 565 CA LYS A 40 -18.330 9.766 4.482 1.00 0.00 C ATOM 566 C LYS A 40 -18.498 8.651 5.513 1.00 0.00 C ATOM 567 O LYS A 40 -19.356 8.730 6.392 1.00 0.00 O ATOM 568 CB LYS A 40 -18.203 9.177 3.077 1.00 0.00 C ATOM 569 CG LYS A 40 -19.366 8.289 2.682 1.00 0.00 C ATOM 570 CD LYS A 40 -20.450 9.080 1.969 1.00 0.00 C ATOM 571 CE LYS A 40 -21.037 8.298 0.805 1.00 0.00 C ATOM 572 NZ LYS A 40 -21.921 7.192 1.268 1.00 0.00 N ATOM 0 H LYS A 40 -16.352 10.383 4.191 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.214 10.402 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.118 9.991 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.280 8.600 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.011 7.489 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.783 7.816 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.241 9.332 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.036 10.020 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.605 8.973 0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.229 7.888 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.301 6.683 0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.373 6.534 1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.707 7.585 1.825 1.00 0.00 H new ATOM 586 N MET A 41 -17.671 7.617 5.401 1.00 0.00 N ATOM 587 CA MET A 41 -17.723 6.489 6.323 1.00 0.00 C ATOM 588 C MET A 41 -16.350 5.840 6.462 1.00 0.00 C ATOM 589 O MET A 41 -15.379 6.283 5.847 1.00 0.00 O ATOM 590 CB MET A 41 -18.744 5.456 5.841 1.00 0.00 C ATOM 591 CG MET A 41 -19.560 4.840 6.965 1.00 0.00 C ATOM 592 SD MET A 41 -21.246 4.444 6.462 1.00 0.00 S ATOM 593 CE MET A 41 -22.167 5.013 7.889 1.00 0.00 C ATOM 0 H MET A 41 -16.955 7.537 4.679 1.00 0.00 H new ATOM 0 HA MET A 41 -18.030 6.862 7.300 1.00 0.00 H new ATOM 0 HB2 MET A 41 -19.420 5.930 5.129 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.222 4.663 5.305 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.066 3.933 7.312 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.589 5.530 7.808 1.00 0.00 H new ATOM 0 HE1 MET A 41 -23.231 4.836 7.730 1.00 0.00 H new ATOM 0 HE2 MET A 41 -21.838 4.470 8.775 1.00 0.00 H new ATOM 0 HE3 MET A 41 -21.994 6.080 8.032 1.00 0.00 H new ATOM 603 N ILE A 42 -16.274 4.788 7.269 1.00 0.00 N ATOM 604 CA ILE A 42 -15.018 4.078 7.482 1.00 0.00 C ATOM 605 C ILE A 42 -14.757 3.087 6.351 1.00 0.00 C ATOM 606 O ILE A 42 -15.676 2.418 5.878 1.00 0.00 O ATOM 607 CB ILE A 42 -15.017 3.327 8.829 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.660 2.662 9.071 1.00 0.00 C ATOM 609 CG2 ILE A 42 -16.133 2.293 8.863 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.497 3.629 9.033 1.00 0.00 C ATOM 0 H ILE A 42 -17.067 4.408 7.786 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.225 4.825 7.498 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.193 4.049 9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.676 2.164 10.041 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.504 1.889 8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -16.118 1.772 9.821 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.094 2.791 8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.988 1.574 8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.568 3.088 9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.455 4.109 8.055 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.630 4.388 9.804 1.00 0.00 H new ATOM 622 N MET A 43 -13.503 3.000 5.920 1.00 0.00 N ATOM 623 CA MET A 43 -13.133 2.090 4.841 1.00 0.00 C ATOM 624 C MET A 43 -11.731 1.530 5.050 1.00 0.00 C ATOM 625 O MET A 43 -10.897 2.150 5.711 1.00 0.00 O ATOM 626 CB MET A 43 -13.212 2.808 3.492 1.00 0.00 C ATOM 627 CG MET A 43 -12.224 3.955 3.355 1.00 0.00 C ATOM 628 SD MET A 43 -12.250 4.703 1.715 1.00 0.00 S ATOM 629 CE MET A 43 -13.898 5.404 1.689 1.00 0.00 C ATOM 0 H MET A 43 -12.729 3.545 6.299 1.00 0.00 H new ATOM 0 HA MET A 43 -13.838 1.258 4.847 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.032 2.087 2.695 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.223 3.191 3.352 1.00 0.00 H new ATOM 0 HG2 MET A 43 -12.452 4.716 4.101 1.00 0.00 H new ATOM 0 HG3 MET A 43 -11.219 3.591 3.568 1.00 0.00 H new ATOM 0 HE1 MET A 43 -13.909 6.283 1.044 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.602 4.665 1.307 1.00 0.00 H new ATOM 0 HE3 MET A 43 -14.187 5.692 2.700 1.00 0.00 H new ATOM 639 N THR A 44 -11.477 0.356 4.480 1.00 0.00 N ATOM 640 CA THR A 44 -10.174 -0.289 4.603 1.00 0.00 C ATOM 641 C THR A 44 -9.510 -0.435 3.238 1.00 0.00 C ATOM 642 O THR A 44 -10.148 -0.837 2.265 1.00 0.00 O ATOM 643 CB THR A 44 -10.318 -1.665 5.261 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.610 -1.824 5.820 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.309 -1.910 6.361 1.00 0.00 C ATOM 0 H THR A 44 -12.156 -0.168 3.928 1.00 0.00 H new ATOM 0 HA THR A 44 -9.544 0.341 5.231 1.00 0.00 H new ATOM 0 HB THR A 44 -10.144 -2.385 4.462 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.681 -2.710 6.233 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.466 -2.902 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.301 -1.846 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.432 -1.159 7.141 1.00 0.00 H new ATOM 653 N LEU A 45 -8.224 -0.105 3.174 1.00 0.00 N ATOM 654 CA LEU A 45 -7.473 -0.200 1.928 1.00 0.00 C ATOM 655 C LEU A 45 -6.785 -1.556 1.814 1.00 0.00 C ATOM 656 O LEU A 45 -6.431 -2.170 2.821 1.00 0.00 O ATOM 657 CB LEU A 45 -6.434 0.920 1.844 1.00 0.00 C ATOM 658 CG LEU A 45 -6.962 2.266 1.338 1.00 0.00 C ATOM 659 CD1 LEU A 45 -7.738 2.087 0.042 1.00 0.00 C ATOM 660 CD2 LEU A 45 -7.830 2.932 2.397 1.00 0.00 C ATOM 0 H LEU A 45 -7.681 0.230 3.970 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.175 -0.095 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.001 1.067 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.626 0.595 1.188 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.109 2.914 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.104 3.055 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.084 1.658 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.583 1.420 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.196 3.887 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.676 2.287 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.240 3.100 3.298 1.00 0.00 H new ATOM 672 N ASN A 46 -6.599 -2.017 0.583 1.00 0.00 N ATOM 673 CA ASN A 46 -5.953 -3.301 0.338 1.00 0.00 C ATOM 674 C ASN A 46 -4.915 -3.186 -0.774 1.00 0.00 C ATOM 675 O ASN A 46 -4.751 -2.126 -1.377 1.00 0.00 O ATOM 676 CB ASN A 46 -6.995 -4.358 -0.029 1.00 0.00 C ATOM 677 CG ASN A 46 -7.961 -3.873 -1.092 1.00 0.00 C ATOM 678 OD1 ASN A 46 -7.768 -4.122 -2.282 1.00 0.00 O ATOM 679 ND2 ASN A 46 -9.008 -3.176 -0.667 1.00 0.00 N ATOM 0 H ASN A 46 -6.886 -1.521 -0.261 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.445 -3.604 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.489 -5.255 -0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.553 -4.639 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.692 -2.823 -1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.129 -2.993 0.329 1.00 0.00 H new ATOM 686 N VAL A 47 -4.219 -4.286 -1.039 1.00 0.00 N ATOM 687 CA VAL A 47 -3.198 -4.312 -2.079 1.00 0.00 C ATOM 688 C VAL A 47 -3.785 -4.778 -3.407 1.00 0.00 C ATOM 689 O VAL A 47 -4.658 -5.645 -3.440 1.00 0.00 O ATOM 690 CB VAL A 47 -2.031 -5.240 -1.695 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.292 -4.693 -0.483 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.535 -6.651 -1.429 1.00 0.00 C ATOM 0 H VAL A 47 -4.343 -5.171 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.824 -3.294 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.333 -5.281 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.470 -5.361 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.896 -3.704 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.979 -4.621 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.696 -7.292 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.255 -6.632 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.016 -7.041 -2.326 1.00 0.00 H new ATOM 702 N GLN A 48 -3.300 -4.199 -4.500 1.00 0.00 N ATOM 703 CA GLN A 48 -3.781 -4.560 -5.831 1.00 0.00 C ATOM 704 C GLN A 48 -3.031 -5.772 -6.385 1.00 0.00 C ATOM 705 O GLN A 48 -3.411 -6.325 -7.417 1.00 0.00 O ATOM 706 CB GLN A 48 -3.649 -3.375 -6.794 1.00 0.00 C ATOM 707 CG GLN A 48 -2.315 -2.648 -6.708 1.00 0.00 C ATOM 708 CD GLN A 48 -1.131 -3.563 -6.950 1.00 0.00 C ATOM 709 OE1 GLN A 48 -1.075 -4.270 -7.956 1.00 0.00 O ATOM 710 NE2 GLN A 48 -0.177 -3.553 -6.027 1.00 0.00 N ATOM 0 H GLN A 48 -2.577 -3.480 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.834 -4.825 -5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.790 -3.732 -7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.451 -2.665 -6.591 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.299 -1.840 -7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.219 -2.190 -5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.265 -2.951 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.644 -4.148 -6.136 1.00 0.00 H new ATOM 719 N GLU A 49 -1.967 -6.182 -5.699 1.00 0.00 N ATOM 720 CA GLU A 49 -1.175 -7.328 -6.133 1.00 0.00 C ATOM 721 C GLU A 49 -0.452 -7.969 -4.954 1.00 0.00 C ATOM 722 O GLU A 49 -0.309 -7.360 -3.894 1.00 0.00 O ATOM 723 CB GLU A 49 -0.162 -6.902 -7.197 1.00 0.00 C ATOM 724 CG GLU A 49 -0.702 -6.975 -8.616 1.00 0.00 C ATOM 725 CD GLU A 49 0.318 -6.543 -9.651 1.00 0.00 C ATOM 726 OE1 GLU A 49 1.527 -6.568 -9.339 1.00 0.00 O ATOM 727 OE2 GLU A 49 -0.092 -6.179 -10.773 1.00 0.00 O ATOM 0 H GLU A 49 -1.635 -5.739 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.854 -8.064 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.160 -5.881 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.721 -7.536 -7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.019 -7.996 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.586 -6.343 -8.697 1.00 0.00 H new ATOM 734 N ARG A 50 0.004 -9.203 -5.146 1.00 0.00 N ATOM 735 CA ARG A 50 0.714 -9.928 -4.099 1.00 0.00 C ATOM 736 C ARG A 50 2.075 -9.296 -3.827 1.00 0.00 C ATOM 737 O ARG A 50 2.884 -9.125 -4.738 1.00 0.00 O ATOM 738 CB ARG A 50 0.890 -11.395 -4.496 1.00 0.00 C ATOM 739 CG ARG A 50 -0.306 -12.267 -4.150 1.00 0.00 C ATOM 740 CD ARG A 50 -1.381 -12.189 -5.221 1.00 0.00 C ATOM 741 NE ARG A 50 -1.120 -13.106 -6.328 1.00 0.00 N ATOM 742 CZ ARG A 50 -1.326 -14.420 -6.266 1.00 0.00 C ATOM 743 NH1 ARG A 50 -1.794 -14.974 -5.155 1.00 0.00 N ATOM 744 NH2 ARG A 50 -1.064 -15.182 -7.319 1.00 0.00 N ATOM 0 H ARG A 50 -0.106 -9.722 -6.017 1.00 0.00 H new ATOM 0 HA ARG A 50 0.120 -9.874 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.073 -11.453 -5.569 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.775 -11.793 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.018 -13.301 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.722 -11.953 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.350 -12.421 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.440 -11.169 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.759 -12.717 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.998 -14.393 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.950 -15.981 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.705 -14.762 -8.176 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.222 -16.189 -7.272 1.00 0.00 H new ATOM 758 N GLY A 51 2.320 -8.950 -2.567 1.00 0.00 N ATOM 759 CA GLY A 51 3.584 -8.341 -2.198 1.00 0.00 C ATOM 760 C GLY A 51 3.583 -7.818 -0.775 1.00 0.00 C ATOM 761 O GLY A 51 2.583 -7.932 -0.065 1.00 0.00 O ATOM 0 H GLY A 51 1.666 -9.081 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.383 -9.073 -2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.802 -7.522 -2.883 1.00 0.00 H new ATOM 765 N ARG A 52 4.706 -7.244 -0.357 1.00 0.00 N ATOM 766 CA ARG A 52 4.831 -6.702 0.991 1.00 0.00 C ATOM 767 C ARG A 52 4.521 -5.208 1.007 1.00 0.00 C ATOM 768 O ARG A 52 5.145 -4.427 0.289 1.00 0.00 O ATOM 769 CB ARG A 52 6.240 -6.950 1.535 1.00 0.00 C ATOM 770 CG ARG A 52 6.352 -8.212 2.376 1.00 0.00 C ATOM 771 CD ARG A 52 7.625 -8.982 2.061 1.00 0.00 C ATOM 772 NE ARG A 52 8.811 -8.131 2.126 1.00 0.00 N ATOM 773 CZ ARG A 52 10.031 -8.531 1.775 1.00 0.00 C ATOM 774 NH1 ARG A 52 10.231 -9.767 1.335 1.00 0.00 N ATOM 775 NH2 ARG A 52 11.055 -7.693 1.865 1.00 0.00 N ATOM 0 H ARG A 52 5.542 -7.142 -0.932 1.00 0.00 H new ATOM 0 HA ARG A 52 4.109 -7.211 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.937 -7.017 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.545 -6.094 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.338 -7.948 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.486 -8.849 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.732 -9.808 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.547 -9.419 1.066 1.00 0.00 H new ATOM 0 HE ARG A 52 8.697 -7.174 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.447 -10.416 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.168 -10.068 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.908 -6.742 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.990 -7.999 1.596 1.00 0.00 H new ATOM 789 N VAL A 53 3.554 -4.818 1.831 1.00 0.00 N ATOM 790 CA VAL A 53 3.162 -3.418 1.940 1.00 0.00 C ATOM 791 C VAL A 53 4.097 -2.657 2.872 1.00 0.00 C ATOM 792 O VAL A 53 4.312 -3.058 4.015 1.00 0.00 O ATOM 793 CB VAL A 53 1.716 -3.277 2.453 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.282 -1.819 2.445 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.771 -4.125 1.618 1.00 0.00 C ATOM 0 H VAL A 53 3.028 -5.452 2.433 1.00 0.00 H new ATOM 0 HA VAL A 53 3.227 -2.993 0.938 1.00 0.00 H new ATOM 0 HB VAL A 53 1.680 -3.635 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.258 -1.742 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.942 -1.239 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.334 -1.429 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.246 -4.014 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.811 -3.799 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.069 -5.172 1.682 1.00 0.00 H new ATOM 805 N LYS A 54 4.646 -1.553 2.377 1.00 0.00 N ATOM 806 CA LYS A 54 5.556 -0.732 3.165 1.00 0.00 C ATOM 807 C LYS A 54 4.970 0.657 3.393 1.00 0.00 C ATOM 808 O LYS A 54 4.733 1.404 2.445 1.00 0.00 O ATOM 809 CB LYS A 54 6.912 -0.619 2.465 1.00 0.00 C ATOM 810 CG LYS A 54 7.853 -1.772 2.772 1.00 0.00 C ATOM 811 CD LYS A 54 8.615 -1.539 4.067 1.00 0.00 C ATOM 812 CE LYS A 54 9.911 -2.333 4.100 1.00 0.00 C ATOM 813 NZ LYS A 54 10.929 -1.774 3.169 1.00 0.00 N ATOM 0 H LYS A 54 4.476 -1.206 1.433 1.00 0.00 H new ATOM 0 HA LYS A 54 5.696 -1.213 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.752 -0.568 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.388 0.316 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.283 -2.698 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.559 -1.896 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.835 -0.477 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.991 -1.823 4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.309 -2.335 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.708 -3.371 3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.868 -2.144 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.696 -2.050 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.934 -0.737 3.243 1.00 0.00 H new ATOM 827 N TYR A 55 4.732 0.993 4.656 1.00 0.00 N ATOM 828 CA TYR A 55 4.169 2.291 5.010 1.00 0.00 C ATOM 829 C TYR A 55 5.050 3.432 4.507 1.00 0.00 C ATOM 830 O TYR A 55 6.240 3.494 4.816 1.00 0.00 O ATOM 831 CB TYR A 55 3.993 2.394 6.528 1.00 0.00 C ATOM 832 CG TYR A 55 2.552 2.541 6.962 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.557 1.740 6.416 1.00 0.00 C ATOM 834 CD2 TYR A 55 2.188 3.479 7.920 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.239 1.872 6.810 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.872 3.616 8.320 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.098 2.810 7.762 1.00 0.00 C ATOM 838 OH TYR A 55 -1.409 2.944 8.158 1.00 0.00 O ATOM 0 H TYR A 55 4.920 0.384 5.452 1.00 0.00 H new ATOM 0 HA TYR A 55 3.195 2.378 4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.416 1.505 6.995 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.563 3.248 6.894 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.818 1.002 5.672 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.945 4.111 8.359 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.523 1.243 6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.605 4.350 9.066 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.922 2.164 7.860 1.00 0.00 H new ATOM 848 N ILE A 56 4.453 4.339 3.739 1.00 0.00 N ATOM 849 CA ILE A 56 5.178 5.485 3.202 1.00 0.00 C ATOM 850 C ILE A 56 4.812 6.752 3.967 1.00 0.00 C ATOM 851 O ILE A 56 5.680 7.453 4.487 1.00 0.00 O ATOM 852 CB ILE A 56 4.892 5.676 1.690 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.917 4.907 0.854 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.902 7.151 1.303 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.985 3.432 1.181 1.00 0.00 C ATOM 0 H ILE A 56 3.469 4.302 3.475 1.00 0.00 H new ATOM 0 HA ILE A 56 6.244 5.290 3.324 1.00 0.00 H new ATOM 0 HB ILE A 56 3.896 5.281 1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.674 5.025 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.902 5.349 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.698 7.249 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.136 7.681 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.879 7.579 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.733 2.953 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.259 3.304 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.012 2.974 1.002 1.00 0.00 H new ATOM 867 N LYS A 57 3.519 7.034 4.030 1.00 0.00 N ATOM 868 CA LYS A 57 3.023 8.210 4.729 1.00 0.00 C ATOM 869 C LYS A 57 3.148 8.036 6.240 1.00 0.00 C ATOM 870 O LYS A 57 3.557 6.979 6.720 1.00 0.00 O ATOM 871 CB LYS A 57 1.567 8.460 4.341 1.00 0.00 C ATOM 872 CG LYS A 57 1.379 9.649 3.412 1.00 0.00 C ATOM 873 CD LYS A 57 1.826 10.946 4.066 1.00 0.00 C ATOM 874 CE LYS A 57 0.689 11.607 4.828 1.00 0.00 C ATOM 875 NZ LYS A 57 0.004 12.647 4.012 1.00 0.00 N ATOM 0 H LYS A 57 2.791 6.461 3.603 1.00 0.00 H new ATOM 0 HA LYS A 57 3.625 9.071 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.170 7.567 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.981 8.621 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.947 9.489 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.330 9.727 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.653 10.745 4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.200 11.629 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.034 10.849 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.078 12.059 5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.025 12.562 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.313 13.590 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.245 12.516 3.009 1.00 0.00 H new ATOM 889 N ARG A 58 2.795 9.079 6.985 1.00 0.00 N ATOM 890 CA ARG A 58 2.871 9.038 8.441 1.00 0.00 C ATOM 891 C ARG A 58 1.538 8.599 9.046 1.00 0.00 C ATOM 892 O ARG A 58 0.492 8.704 8.406 1.00 0.00 O ATOM 893 CB ARG A 58 3.270 10.409 8.991 1.00 0.00 C ATOM 894 CG ARG A 58 4.729 10.493 9.411 1.00 0.00 C ATOM 895 CD ARG A 58 4.885 11.184 10.756 1.00 0.00 C ATOM 896 NE ARG A 58 6.178 11.852 10.883 1.00 0.00 N ATOM 897 CZ ARG A 58 6.653 12.338 12.028 1.00 0.00 C ATOM 898 NH1 ARG A 58 5.944 12.232 13.146 1.00 0.00 N ATOM 899 NH2 ARG A 58 7.839 12.930 12.056 1.00 0.00 N ATOM 0 H ARG A 58 2.454 9.962 6.605 1.00 0.00 H new ATOM 0 HA ARG A 58 3.631 8.308 8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.074 11.167 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.639 10.645 9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.151 9.489 9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.295 11.036 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.086 11.914 10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.776 10.451 11.555 1.00 0.00 H new ATOM 0 HE ARG A 58 6.751 11.952 10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.031 11.777 13.130 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.312 12.606 14.021 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.388 13.013 11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.203 13.302 12.933 1.00 0.00 H new ATOM 913 N PRO A 59 1.561 8.101 10.295 1.00 0.00 N ATOM 914 CA PRO A 59 0.350 7.646 10.986 1.00 0.00 C ATOM 915 C PRO A 59 -0.556 8.805 11.389 1.00 0.00 C ATOM 916 O PRO A 59 -0.105 9.780 11.991 1.00 0.00 O ATOM 917 CB PRO A 59 0.895 6.937 12.227 1.00 0.00 C ATOM 918 CG PRO A 59 2.212 7.582 12.482 1.00 0.00 C ATOM 919 CD PRO A 59 2.767 7.942 11.130 1.00 0.00 C ATOM 0 HA PRO A 59 -0.267 7.009 10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.224 7.056 13.078 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.005 5.866 12.055 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.098 8.469 13.105 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.882 6.904 13.011 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.353 8.860 11.168 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.423 7.161 10.744 1.00 0.00 H new ATOM 927 N GLY A 60 -1.835 8.691 11.049 1.00 0.00 N ATOM 928 CA GLY A 60 -2.789 9.735 11.379 1.00 0.00 C ATOM 929 C GLY A 60 -2.885 10.805 10.304 1.00 0.00 C ATOM 930 O GLY A 60 -3.859 11.556 10.255 1.00 0.00 O ATOM 0 H GLY A 60 -2.229 7.893 10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.772 9.289 11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.501 10.199 12.323 1.00 0.00 H new ATOM 934 N ALA A 61 -1.872 10.877 9.445 1.00 0.00 N ATOM 935 CA ALA A 61 -1.844 11.862 8.370 1.00 0.00 C ATOM 936 C ALA A 61 -3.080 11.760 7.484 1.00 0.00 C ATOM 937 O ALA A 61 -3.645 10.680 7.309 1.00 0.00 O ATOM 938 CB ALA A 61 -0.584 11.690 7.537 1.00 0.00 C ATOM 0 H ALA A 61 -1.058 10.263 9.473 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.842 12.853 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.573 12.430 6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.292 11.827 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.567 10.689 7.105 1.00 0.00 H new ATOM 944 N VAL A 62 -3.491 12.892 6.921 1.00 0.00 N ATOM 945 CA VAL A 62 -4.655 12.933 6.045 1.00 0.00 C ATOM 946 C VAL A 62 -4.304 12.433 4.648 1.00 0.00 C ATOM 947 O VAL A 62 -3.355 12.912 4.027 1.00 0.00 O ATOM 948 CB VAL A 62 -5.227 14.359 5.938 1.00 0.00 C ATOM 949 CG1 VAL A 62 -6.543 14.352 5.177 1.00 0.00 C ATOM 950 CG2 VAL A 62 -5.405 14.968 7.321 1.00 0.00 C ATOM 0 H VAL A 62 -3.034 13.794 7.057 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.408 12.280 6.486 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.518 14.974 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.931 15.368 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.380 13.961 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.262 13.722 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.810 15.975 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.092 14.354 7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.440 15.011 7.826 1.00 0.00 H new ATOM 960 N LEU A 63 -5.074 11.467 4.158 1.00 0.00 N ATOM 961 CA LEU A 63 -4.841 10.903 2.833 1.00 0.00 C ATOM 962 C LEU A 63 -5.489 11.764 1.754 1.00 0.00 C ATOM 963 O LEU A 63 -6.496 12.428 1.996 1.00 0.00 O ATOM 964 CB LEU A 63 -5.388 9.476 2.760 1.00 0.00 C ATOM 965 CG LEU A 63 -5.098 8.608 3.986 1.00 0.00 C ATOM 966 CD1 LEU A 63 -5.624 7.197 3.776 1.00 0.00 C ATOM 967 CD2 LEU A 63 -3.606 8.585 4.281 1.00 0.00 C ATOM 0 H LEU A 63 -5.864 11.059 4.658 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.765 10.882 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.467 9.524 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.969 8.987 1.880 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.611 9.041 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.409 6.594 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.701 7.231 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.139 6.754 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.418 7.963 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.072 8.176 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.258 9.599 4.475 1.00 0.00 H new ATOM 979 N GLU A 64 -4.903 11.746 0.561 1.00 0.00 N ATOM 980 CA GLU A 64 -5.423 12.524 -0.558 1.00 0.00 C ATOM 981 C GLU A 64 -5.617 11.644 -1.788 1.00 0.00 C ATOM 982 O GLU A 64 -4.879 10.682 -1.997 1.00 0.00 O ATOM 983 CB GLU A 64 -4.476 13.679 -0.888 1.00 0.00 C ATOM 984 CG GLU A 64 -3.989 14.436 0.337 1.00 0.00 C ATOM 985 CD GLU A 64 -3.696 15.894 0.042 1.00 0.00 C ATOM 986 OE1 GLU A 64 -4.463 16.510 -0.727 1.00 0.00 O ATOM 987 OE2 GLU A 64 -2.699 16.420 0.581 1.00 0.00 O ATOM 0 H GLU A 64 -4.068 11.201 0.344 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.392 12.930 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.614 13.288 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.984 14.374 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.742 14.372 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.087 13.958 0.720 1.00 0.00 H new ATOM 994 N ALA A 65 -6.615 11.979 -2.598 1.00 0.00 N ATOM 995 CA ALA A 65 -6.905 11.219 -3.807 1.00 0.00 C ATOM 996 C ALA A 65 -5.722 11.249 -4.769 1.00 0.00 C ATOM 997 O ALA A 65 -5.562 12.193 -5.542 1.00 0.00 O ATOM 998 CB ALA A 65 -8.154 11.761 -4.486 1.00 0.00 C ATOM 0 H ALA A 65 -7.237 12.772 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.083 10.182 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.358 11.183 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.002 11.682 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.999 12.806 -4.752 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.896 10.209 -4.714 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.737 10.137 -5.585 1.00 0.00 C ATOM 1006 C GLY A 66 -2.439 9.981 -4.814 1.00 0.00 C ATOM 1007 O GLY A 66 -1.448 9.486 -5.351 1.00 0.00 O ATOM 0 H GLY A 66 -5.008 9.416 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.853 9.296 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.688 11.040 -6.194 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.444 10.404 -3.554 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.257 10.308 -2.711 1.00 0.00 C ATOM 1013 C CYS A 67 -0.888 8.850 -2.454 1.00 0.00 C ATOM 1014 O CYS A 67 -1.755 7.977 -2.415 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.491 11.029 -1.383 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.014 11.166 -0.348 1.00 0.00 S ATOM 0 H CYS A 67 -3.256 10.816 -3.094 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.429 10.786 -3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.873 12.029 -1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.264 10.500 -0.826 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.311 11.792 0.752 1.00 0.00 H new ATOM 1022 N VAL A 68 0.405 8.594 -2.278 1.00 0.00 N ATOM 1023 CA VAL A 68 0.889 7.243 -2.023 1.00 0.00 C ATOM 1024 C VAL A 68 0.725 6.872 -0.552 1.00 0.00 C ATOM 1025 O VAL A 68 1.373 7.451 0.320 1.00 0.00 O ATOM 1026 CB VAL A 68 2.370 7.091 -2.416 1.00 0.00 C ATOM 1027 CG1 VAL A 68 2.786 5.628 -2.376 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.623 7.690 -3.793 1.00 0.00 C ATOM 0 H VAL A 68 1.136 9.305 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 68 0.289 6.571 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 68 2.977 7.636 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.836 5.540 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.646 5.237 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.175 5.057 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.675 7.573 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.007 7.177 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.368 8.750 -3.781 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.148 5.906 -0.283 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.400 5.462 1.083 1.00 0.00 C ATOM 1040 C VAL A 69 0.651 4.456 1.544 1.00 0.00 C ATOM 1041 O VAL A 69 0.941 4.353 2.736 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.796 4.825 1.218 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -2.109 4.524 2.676 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.858 5.732 0.614 1.00 0.00 C ATOM 0 H VAL A 69 -0.692 5.416 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.348 6.349 1.715 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.799 3.884 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.099 4.075 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.366 3.832 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.087 5.449 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.837 5.265 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.856 6.691 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.643 5.891 -0.443 1.00 0.00 H new ATOM 1054 N ALA A 70 1.215 3.711 0.598 1.00 0.00 N ATOM 1055 CA ALA A 70 2.227 2.713 0.921 1.00 0.00 C ATOM 1056 C ALA A 70 2.966 2.247 -0.331 1.00 0.00 C ATOM 1057 O ALA A 70 2.907 2.894 -1.376 1.00 0.00 O ATOM 1058 CB ALA A 70 1.584 1.529 1.629 1.00 0.00 C ATOM 0 H ALA A 70 0.989 3.780 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 70 2.957 3.173 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.348 0.788 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.110 1.869 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.833 1.080 0.979 1.00 0.00 H new ATOM 1064 N ARG A 71 3.662 1.119 -0.215 1.00 0.00 N ATOM 1065 CA ARG A 71 4.413 0.564 -1.334 1.00 0.00 C ATOM 1066 C ARG A 71 4.271 -0.954 -1.379 1.00 0.00 C ATOM 1067 O ARG A 71 4.414 -1.633 -0.362 1.00 0.00 O ATOM 1068 CB ARG A 71 5.890 0.951 -1.225 1.00 0.00 C ATOM 1069 CG ARG A 71 6.293 2.074 -2.166 1.00 0.00 C ATOM 1070 CD ARG A 71 6.088 1.682 -3.621 1.00 0.00 C ATOM 1071 NE ARG A 71 7.319 1.189 -4.233 1.00 0.00 N ATOM 1072 CZ ARG A 71 7.702 -0.087 -4.218 1.00 0.00 C ATOM 1073 NH1 ARG A 71 6.956 -1.008 -3.622 1.00 0.00 N ATOM 1074 NH2 ARG A 71 8.838 -0.442 -4.803 1.00 0.00 N ATOM 0 H ARG A 71 3.721 0.572 0.644 1.00 0.00 H new ATOM 0 HA ARG A 71 4.006 0.976 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.104 1.253 -0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.504 0.075 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.707 2.966 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.339 2.330 -2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.318 0.913 -3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.724 2.544 -4.181 1.00 0.00 H new ATOM 0 HE ARG A 71 7.924 1.864 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.081 -0.742 -3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.257 -1.982 -3.616 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.416 0.261 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.133 -1.418 -4.793 1.00 0.00 H new ATOM 1088 N LEU A 72 3.983 -1.480 -2.565 1.00 0.00 N ATOM 1089 CA LEU A 72 3.814 -2.916 -2.747 1.00 0.00 C ATOM 1090 C LEU A 72 5.115 -3.570 -3.201 1.00 0.00 C ATOM 1091 O LEU A 72 5.691 -3.193 -4.221 1.00 0.00 O ATOM 1092 CB LEU A 72 2.708 -3.196 -3.767 1.00 0.00 C ATOM 1093 CG LEU A 72 1.497 -3.954 -3.218 1.00 0.00 C ATOM 1094 CD1 LEU A 72 1.938 -5.225 -2.510 1.00 0.00 C ATOM 1095 CD2 LEU A 72 0.697 -3.066 -2.278 1.00 0.00 C ATOM 0 H LEU A 72 3.862 -0.931 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 72 3.532 -3.344 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.367 -2.247 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.132 -3.768 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 72 0.857 -4.234 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.063 -5.750 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.468 -5.868 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.600 -4.970 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.161 -3.620 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.328 -2.756 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.349 -2.185 -2.818 1.00 0.00 H new ATOM 1107 N GLU A 73 5.565 -4.558 -2.439 1.00 0.00 N ATOM 1108 CA GLU A 73 6.792 -5.279 -2.758 1.00 0.00 C ATOM 1109 C GLU A 73 6.490 -6.502 -3.618 1.00 0.00 C ATOM 1110 O GLU A 73 6.362 -7.615 -3.108 1.00 0.00 O ATOM 1111 CB GLU A 73 7.508 -5.703 -1.473 1.00 0.00 C ATOM 1112 CG GLU A 73 8.778 -4.914 -1.198 1.00 0.00 C ATOM 1113 CD GLU A 73 10.002 -5.538 -1.839 1.00 0.00 C ATOM 1114 OE1 GLU A 73 9.836 -6.324 -2.795 1.00 0.00 O ATOM 1115 OE2 GLU A 73 11.127 -5.241 -1.384 1.00 0.00 O ATOM 0 H GLU A 73 5.097 -4.880 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 73 7.444 -4.612 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.826 -5.584 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.755 -6.763 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.657 -3.896 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.932 -4.844 -0.121 1.00 0.00 H new ATOM 1122 N LEU A 74 6.373 -6.289 -4.925 1.00 0.00 N ATOM 1123 CA LEU A 74 6.081 -7.377 -5.851 1.00 0.00 C ATOM 1124 C LEU A 74 7.197 -8.417 -5.843 1.00 0.00 C ATOM 1125 O LEU A 74 8.338 -8.123 -6.201 1.00 0.00 O ATOM 1126 CB LEU A 74 5.884 -6.832 -7.267 1.00 0.00 C ATOM 1127 CG LEU A 74 4.439 -6.488 -7.632 1.00 0.00 C ATOM 1128 CD1 LEU A 74 3.830 -5.561 -6.591 1.00 0.00 C ATOM 1129 CD2 LEU A 74 4.377 -5.854 -9.014 1.00 0.00 C ATOM 0 H LEU A 74 6.476 -5.375 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 74 5.160 -7.859 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.495 -5.937 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.257 -7.568 -7.979 1.00 0.00 H new ATOM 0 HG LEU A 74 3.859 -7.411 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.802 -5.328 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.841 -6.050 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.410 -4.640 -6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.342 -5.615 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.972 -4.941 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.773 -6.551 -9.752 1.00 0.00 H new ATOM 1141 N ASP A 75 6.857 -9.634 -5.435 1.00 0.00 N ATOM 1142 CA ASP A 75 7.824 -10.723 -5.381 1.00 0.00 C ATOM 1143 C ASP A 75 8.154 -11.225 -6.784 1.00 0.00 C ATOM 1144 O ASP A 75 7.858 -12.368 -7.133 1.00 0.00 O ATOM 1145 CB ASP A 75 7.284 -11.872 -4.527 1.00 0.00 C ATOM 1146 CG ASP A 75 8.385 -12.779 -4.015 1.00 0.00 C ATOM 1147 OD1 ASP A 75 9.544 -12.321 -3.936 1.00 0.00 O ATOM 1148 OD2 ASP A 75 8.088 -13.949 -3.691 1.00 0.00 O ATOM 0 H ASP A 75 5.916 -9.892 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 75 8.739 -10.343 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.731 -11.464 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.579 -12.458 -5.116 1.00 0.00 H new ATOM 1153 N ASP A 76 8.768 -10.361 -7.584 1.00 0.00 N ATOM 1154 CA ASP A 76 9.137 -10.714 -8.950 1.00 0.00 C ATOM 1155 C ASP A 76 10.375 -11.605 -8.966 1.00 0.00 C ATOM 1156 O ASP A 76 11.264 -11.465 -8.127 1.00 0.00 O ATOM 1157 CB ASP A 76 9.394 -9.450 -9.774 1.00 0.00 C ATOM 1158 CG ASP A 76 8.115 -8.704 -10.101 1.00 0.00 C ATOM 1159 OD1 ASP A 76 7.347 -9.189 -10.958 1.00 0.00 O ATOM 1160 OD2 ASP A 76 7.883 -7.633 -9.501 1.00 0.00 O ATOM 0 H ASP A 76 9.021 -9.411 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 76 8.308 -11.266 -9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.065 -8.791 -9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.901 -9.720 -10.700 1.00 0.00 H new ATOM 1165 N LEU A 77 10.423 -12.523 -9.926 1.00 0.00 N ATOM 1166 CA LEU A 77 11.550 -13.440 -10.052 1.00 0.00 C ATOM 1167 C LEU A 77 12.676 -12.811 -10.866 1.00 0.00 C ATOM 1168 O LEU A 77 13.852 -13.095 -10.640 1.00 0.00 O ATOM 1169 CB LEU A 77 11.100 -14.747 -10.707 1.00 0.00 C ATOM 1170 CG LEU A 77 11.967 -15.965 -10.387 1.00 0.00 C ATOM 1171 CD1 LEU A 77 11.698 -16.456 -8.973 1.00 0.00 C ATOM 1172 CD2 LEU A 77 11.716 -17.076 -11.396 1.00 0.00 C ATOM 0 H LEU A 77 9.694 -12.652 -10.628 1.00 0.00 H new ATOM 0 HA LEU A 77 11.926 -13.653 -9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.077 -14.957 -10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.083 -14.607 -11.788 1.00 0.00 H new ATOM 0 HG LEU A 77 13.014 -15.670 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.324 -17.323 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.928 -15.662 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.649 -16.735 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.341 -17.936 -11.154 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.667 -17.369 -11.361 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.960 -16.720 -12.397 1.00 0.00 H new ATOM 1184 N GLU A 78 12.307 -11.956 -11.814 1.00 0.00 N ATOM 1185 CA GLU A 78 13.286 -11.287 -12.662 1.00 0.00 C ATOM 1186 C GLU A 78 14.018 -10.194 -11.889 1.00 0.00 C ATOM 1187 O GLU A 78 13.769 -9.005 -12.086 1.00 0.00 O ATOM 1188 CB GLU A 78 12.602 -10.688 -13.893 1.00 0.00 C ATOM 1189 CG GLU A 78 13.575 -10.204 -14.955 1.00 0.00 C ATOM 1190 CD GLU A 78 14.329 -11.342 -15.616 1.00 0.00 C ATOM 1191 OE1 GLU A 78 13.790 -12.468 -15.655 1.00 0.00 O ATOM 1192 OE2 GLU A 78 15.458 -11.107 -16.095 1.00 0.00 O ATOM 0 H GLU A 78 11.337 -11.710 -12.014 1.00 0.00 H new ATOM 0 HA GLU A 78 14.016 -12.029 -12.987 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.942 -11.436 -14.331 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.975 -9.854 -13.580 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.029 -9.645 -15.715 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.288 -9.515 -14.503 1.00 0.00 H new ATOM 1199 N HIS A 79 14.923 -10.607 -11.007 1.00 0.00 N ATOM 1200 CA HIS A 79 15.692 -9.664 -10.203 1.00 0.00 C ATOM 1201 C HIS A 79 16.704 -10.395 -9.327 1.00 0.00 C ATOM 1202 O HIS A 79 16.340 -11.257 -8.527 1.00 0.00 O ATOM 1203 CB HIS A 79 14.758 -8.825 -9.330 1.00 0.00 C ATOM 1204 CG HIS A 79 15.280 -7.451 -9.043 1.00 0.00 C ATOM 1205 ND1 HIS A 79 15.409 -6.946 -7.767 1.00 0.00 N ATOM 1206 CD2 HIS A 79 15.708 -6.474 -9.877 1.00 0.00 C ATOM 1207 CE1 HIS A 79 15.892 -5.718 -7.828 1.00 0.00 C ATOM 1208 NE2 HIS A 79 16.082 -5.408 -9.097 1.00 0.00 N ATOM 0 H HIS A 79 15.142 -11.588 -10.831 1.00 0.00 H new ATOM 0 HA HIS A 79 16.234 -9.005 -10.881 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.790 -8.741 -9.824 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.590 -9.345 -8.387 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.748 -6.524 -10.955 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.097 -5.077 -6.983 1.00 0.00 H new ATOM 0 HE2 HIS A 79 16.447 -4.520 -9.442 1.00 0.00 H new ATOM 1217 N HIS A 80 17.977 -10.046 -9.483 1.00 0.00 N ATOM 1218 CA HIS A 80 19.043 -10.668 -8.706 1.00 0.00 C ATOM 1219 C HIS A 80 19.111 -12.168 -8.978 1.00 0.00 C ATOM 1220 O HIS A 80 19.327 -12.966 -8.066 1.00 0.00 O ATOM 1221 CB HIS A 80 18.825 -10.418 -7.212 1.00 0.00 C ATOM 1222 CG HIS A 80 18.584 -8.980 -6.875 1.00 0.00 C ATOM 1223 ND1 HIS A 80 18.032 -8.568 -5.680 1.00 0.00 N ATOM 1224 CD2 HIS A 80 18.823 -7.851 -7.585 1.00 0.00 C ATOM 1225 CE1 HIS A 80 17.941 -7.250 -5.670 1.00 0.00 C ATOM 1226 NE2 HIS A 80 18.415 -6.791 -6.813 1.00 0.00 N ATOM 0 H HIS A 80 18.296 -9.335 -10.141 1.00 0.00 H new ATOM 0 HA HIS A 80 19.989 -10.219 -9.009 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.974 -11.010 -6.873 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.698 -10.770 -6.662 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.254 -7.795 -8.574 1.00 0.00 H new ATOM 0 HE1 HIS A 80 17.546 -6.650 -4.864 1.00 0.00 H new ATOM 0 HE2 HIS A 80 18.469 -5.808 -7.080 1.00 0.00 H new ATOM 1235 N HIS A 81 18.927 -12.544 -10.240 1.00 0.00 N ATOM 1236 CA HIS A 81 18.969 -13.948 -10.632 1.00 0.00 C ATOM 1237 C HIS A 81 20.362 -14.530 -10.420 1.00 0.00 C ATOM 1238 O HIS A 81 21.362 -13.935 -10.820 1.00 0.00 O ATOM 1239 CB HIS A 81 18.556 -14.102 -12.097 1.00 0.00 C ATOM 1240 CG HIS A 81 19.473 -13.405 -13.053 1.00 0.00 C ATOM 1241 ND1 HIS A 81 20.570 -14.015 -13.626 1.00 0.00 N ATOM 1242 CD2 HIS A 81 19.452 -12.141 -13.539 1.00 0.00 C ATOM 1243 CE1 HIS A 81 21.184 -13.157 -14.421 1.00 0.00 C ATOM 1244 NE2 HIS A 81 20.525 -12.013 -14.386 1.00 0.00 N ATOM 0 H HIS A 81 18.748 -11.897 -11.008 1.00 0.00 H new ATOM 0 HA HIS A 81 18.267 -14.497 -10.004 1.00 0.00 H new ATOM 0 HB2 HIS A 81 18.522 -15.162 -12.347 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.546 -13.712 -12.224 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.726 -11.376 -13.304 1.00 0.00 H new ATOM 0 HE1 HIS A 81 22.073 -13.357 -15.001 1.00 0.00 H new ATOM 0 HE2 HIS A 81 20.773 -11.170 -14.905 1.00 0.00 H new ATOM 1253 N HIS A 82 20.420 -15.698 -9.787 1.00 0.00 N ATOM 1254 CA HIS A 82 21.692 -16.361 -9.522 1.00 0.00 C ATOM 1255 C HIS A 82 21.925 -17.506 -10.502 1.00 0.00 C ATOM 1256 O HIS A 82 23.065 -17.824 -10.840 1.00 0.00 O ATOM 1257 CB HIS A 82 21.727 -16.887 -8.086 1.00 0.00 C ATOM 1258 CG HIS A 82 20.687 -17.927 -7.804 1.00 0.00 C ATOM 1259 ND1 HIS A 82 19.472 -17.638 -7.219 1.00 0.00 N ATOM 1260 CD2 HIS A 82 20.685 -19.262 -8.031 1.00 0.00 C ATOM 1261 CE1 HIS A 82 18.768 -18.750 -7.097 1.00 0.00 C ATOM 1262 NE2 HIS A 82 19.481 -19.749 -7.583 1.00 0.00 N ATOM 0 H HIS A 82 19.602 -16.204 -9.448 1.00 0.00 H new ATOM 0 HA HIS A 82 22.489 -15.629 -9.653 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.713 -17.307 -7.885 1.00 0.00 H new ATOM 0 HB3 HIS A 82 21.590 -16.052 -7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.481 -19.837 -8.480 1.00 0.00 H new ATOM 0 HE1 HIS A 82 17.778 -18.828 -6.672 1.00 0.00 H new ATOM 0 HE2 HIS A 82 19.186 -20.725 -7.620 1.00 0.00 H new ATOM 1271 N HIS A 83 20.838 -18.122 -10.954 1.00 0.00 N ATOM 1272 CA HIS A 83 20.925 -19.232 -11.895 1.00 0.00 C ATOM 1273 C HIS A 83 20.816 -18.736 -13.334 1.00 0.00 C ATOM 1274 O HIS A 83 20.186 -17.713 -13.602 1.00 0.00 O ATOM 1275 CB HIS A 83 19.825 -20.256 -11.611 1.00 0.00 C ATOM 1276 CG HIS A 83 18.441 -19.710 -11.780 1.00 0.00 C ATOM 1277 ND1 HIS A 83 17.811 -18.946 -10.820 1.00 0.00 N ATOM 1278 CD2 HIS A 83 17.563 -19.821 -12.805 1.00 0.00 C ATOM 1279 CE1 HIS A 83 16.607 -18.611 -11.247 1.00 0.00 C ATOM 1280 NE2 HIS A 83 16.432 -19.128 -12.449 1.00 0.00 N ATOM 0 H HIS A 83 19.887 -17.871 -10.684 1.00 0.00 H new ATOM 0 HA HIS A 83 21.897 -19.709 -11.767 1.00 0.00 H new ATOM 0 HB2 HIS A 83 19.954 -21.110 -12.277 1.00 0.00 H new ATOM 0 HB3 HIS A 83 19.939 -20.626 -10.592 1.00 0.00 H new ATOM 0 HD2 HIS A 83 17.722 -20.355 -13.730 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.888 -18.015 -10.705 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.593 -19.029 -13.021 1.00 0.00 H new ATOM 1289 N HIS A 84 21.433 -19.469 -14.255 1.00 0.00 N ATOM 1290 CA HIS A 84 21.405 -19.104 -15.667 1.00 0.00 C ATOM 1291 C HIS A 84 20.139 -19.626 -16.339 1.00 0.00 C ATOM 1292 O HIS A 84 19.444 -18.823 -16.995 1.00 0.00 O ATOM 1293 CB HIS A 84 22.640 -19.653 -16.382 1.00 0.00 C ATOM 1294 CG HIS A 84 22.967 -18.931 -17.652 1.00 0.00 C ATOM 1295 ND1 HIS A 84 23.558 -17.685 -17.680 1.00 0.00 N ATOM 1296 CD2 HIS A 84 22.784 -19.287 -18.946 1.00 0.00 C ATOM 1297 CE1 HIS A 84 23.722 -17.306 -18.934 1.00 0.00 C ATOM 1298 NE2 HIS A 84 23.262 -18.260 -19.722 1.00 0.00 N ATOM 1299 OXT HIS A 84 19.854 -20.835 -16.204 1.00 0.00 O ATOM 0 H HIS A 84 21.958 -20.319 -14.049 1.00 0.00 H new ATOM 0 HA HIS A 84 21.408 -18.016 -15.735 1.00 0.00 H new ATOM 0 HB2 HIS A 84 23.496 -19.593 -15.709 1.00 0.00 H new ATOM 0 HB3 HIS A 84 22.482 -20.708 -16.604 1.00 0.00 H new ATOM 0 HD2 HIS A 84 22.344 -20.207 -19.301 1.00 0.00 H new ATOM 0 HE1 HIS A 84 24.159 -16.373 -19.260 1.00 0.00 H new ATOM 0 HE2 HIS A 84 23.262 -18.238 -20.742 1.00 0.00 H new TER 1308 HIS A 84