USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 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 Single : A 1 MET CE :methyl 155:sc= -0.148 (180deg=-0.659) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.131 (180deg=0.0283) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0237 USER MOD Single : A 10 SER OG : rot -120:sc= -3.51! USER MOD Single : A 12 SER OG : rot 180:sc= -0.137 USER MOD Single : A 15 LYS NZ :NH3+ 131:sc= -0.533 (180deg=-0.904) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 179:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.026) USER MOD Single : A 31 SER OG : rot 180:sc=-0.00115 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 33 TYR OH : rot -9:sc= -2.55 USER MOD Single : A 36 MET CE :methyl -155:sc= 0 (180deg=-0.859) 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 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.0569 F(o=-0.57,f=-0.057) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.945 F(o=-1.9,f=-0.95) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 4:sc= -6.45! USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0951) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.31) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0265 X(o=-0.026,f=-0.44) USER MOD Single : A 82 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.14) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.594 10.479 -14.714 1.00 0.00 N ATOM 2 CA MET A 1 8.161 10.467 -14.320 1.00 0.00 C ATOM 3 C MET A 1 7.977 9.876 -12.926 1.00 0.00 C ATOM 4 O MET A 1 8.922 9.357 -12.332 1.00 0.00 O ATOM 5 CB MET A 1 7.380 9.646 -15.348 1.00 0.00 C ATOM 6 CG MET A 1 6.885 10.464 -16.530 1.00 0.00 C ATOM 7 SD MET A 1 8.106 10.581 -17.852 1.00 0.00 S ATOM 8 CE MET A 1 8.115 8.895 -18.455 1.00 0.00 C ATOM 0 H1 MET A 1 9.670 10.403 -15.748 1.00 0.00 H new ATOM 0 H2 MET A 1 10.033 11.368 -14.399 1.00 0.00 H new ATOM 0 H3 MET A 1 10.083 9.675 -14.271 1.00 0.00 H new ATOM 0 HA MET A 1 7.789 11.491 -14.294 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.015 8.840 -15.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.526 9.180 -14.856 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.973 10.014 -16.922 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.626 11.467 -16.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.443 8.882 -19.494 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.797 8.296 -17.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.110 8.479 -18.387 1.00 0.00 H new ATOM 20 N GLU A 2 6.756 9.959 -12.409 1.00 0.00 N ATOM 21 CA GLU A 2 6.448 9.432 -11.085 1.00 0.00 C ATOM 22 C GLU A 2 5.188 8.574 -11.120 1.00 0.00 C ATOM 23 O GLU A 2 4.090 9.054 -10.839 1.00 0.00 O ATOM 24 CB GLU A 2 6.272 10.578 -10.085 1.00 0.00 C ATOM 25 CG GLU A 2 6.667 10.212 -8.664 1.00 0.00 C ATOM 26 CD GLU A 2 6.127 11.190 -7.639 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.905 12.365 -7.999 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.926 10.781 -6.476 1.00 0.00 O ATOM 0 H GLU A 2 5.963 10.387 -12.887 1.00 0.00 H new ATOM 0 HA GLU A 2 7.282 8.807 -10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.870 11.429 -10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.230 10.899 -10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.300 9.212 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.754 10.177 -8.590 1.00 0.00 H new ATOM 35 N ASN A 3 5.355 7.301 -11.466 1.00 0.00 N ATOM 36 CA ASN A 3 4.231 6.375 -11.538 1.00 0.00 C ATOM 37 C ASN A 3 4.715 4.951 -11.795 1.00 0.00 C ATOM 38 O ASN A 3 5.487 4.706 -12.722 1.00 0.00 O ATOM 39 CB ASN A 3 3.260 6.802 -12.640 1.00 0.00 C ATOM 40 CG ASN A 3 1.948 6.046 -12.579 1.00 0.00 C ATOM 41 OD1 ASN A 3 1.641 5.240 -13.457 1.00 0.00 O ATOM 42 ND2 ASN A 3 1.164 6.304 -11.538 1.00 0.00 N ATOM 0 H ASN A 3 6.258 6.888 -11.701 1.00 0.00 H new ATOM 0 HA ASN A 3 3.713 6.397 -10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.065 7.871 -12.554 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.725 6.640 -13.613 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.268 5.826 -11.444 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.458 6.980 -10.833 1.00 0.00 H new ATOM 49 N ASP A 4 4.257 4.017 -10.968 1.00 0.00 N ATOM 50 CA ASP A 4 4.644 2.618 -11.105 1.00 0.00 C ATOM 51 C ASP A 4 3.631 1.702 -10.422 1.00 0.00 C ATOM 52 O ASP A 4 2.862 2.141 -9.567 1.00 0.00 O ATOM 53 CB ASP A 4 6.037 2.393 -10.511 1.00 0.00 C ATOM 54 CG ASP A 4 7.123 2.387 -11.569 1.00 0.00 C ATOM 55 OD1 ASP A 4 6.924 1.742 -12.620 1.00 0.00 O ATOM 56 OD2 ASP A 4 8.172 3.028 -11.346 1.00 0.00 O ATOM 0 H ASP A 4 3.617 4.204 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 4 4.666 2.375 -12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.249 3.175 -9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.051 1.444 -9.974 1.00 0.00 H new ATOM 61 N PRO A 5 3.618 0.410 -10.792 1.00 0.00 N ATOM 62 CA PRO A 5 2.694 -0.569 -10.211 1.00 0.00 C ATOM 63 C PRO A 5 3.106 -0.995 -8.804 1.00 0.00 C ATOM 64 O PRO A 5 2.291 -1.512 -8.040 1.00 0.00 O ATOM 65 CB PRO A 5 2.789 -1.750 -11.175 1.00 0.00 C ATOM 66 CG PRO A 5 4.166 -1.665 -11.736 1.00 0.00 C ATOM 67 CD PRO A 5 4.502 -0.199 -11.806 1.00 0.00 C ATOM 0 HA PRO A 5 1.687 -0.167 -10.100 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.628 -2.697 -10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.036 -1.683 -11.960 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.877 -2.197 -11.104 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.213 -2.123 -12.724 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.553 -0.018 -11.582 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.313 0.208 -12.799 1.00 0.00 H new ATOM 75 N THR A 6 4.374 -0.777 -8.469 1.00 0.00 N ATOM 76 CA THR A 6 4.894 -1.139 -7.155 1.00 0.00 C ATOM 77 C THR A 6 4.754 0.021 -6.173 1.00 0.00 C ATOM 78 O THR A 6 5.686 0.334 -5.431 1.00 0.00 O ATOM 79 CB THR A 6 6.361 -1.558 -7.263 1.00 0.00 C ATOM 80 OG1 THR A 6 7.177 -0.447 -7.587 1.00 0.00 O ATOM 81 CG2 THR A 6 6.603 -2.626 -8.308 1.00 0.00 C ATOM 0 H THR A 6 5.061 -0.351 -9.091 1.00 0.00 H new ATOM 0 HA THR A 6 4.309 -1.979 -6.780 1.00 0.00 H new ATOM 0 HB THR A 6 6.618 -1.965 -6.285 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.112 -0.735 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.663 -2.877 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.025 -3.516 -8.059 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.295 -2.255 -9.286 1.00 0.00 H new ATOM 89 N VAL A 7 3.586 0.654 -6.172 1.00 0.00 N ATOM 90 CA VAL A 7 3.328 1.779 -5.281 1.00 0.00 C ATOM 91 C VAL A 7 1.884 1.771 -4.782 1.00 0.00 C ATOM 92 O VAL A 7 1.130 0.837 -5.053 1.00 0.00 O ATOM 93 CB VAL A 7 3.617 3.119 -5.974 1.00 0.00 C ATOM 94 CG1 VAL A 7 5.055 3.172 -6.468 1.00 0.00 C ATOM 95 CG2 VAL A 7 2.646 3.321 -7.112 1.00 0.00 C ATOM 0 H VAL A 7 2.803 0.407 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 7 3.999 1.668 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 7 3.486 3.927 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.237 4.130 -6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.734 3.060 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.225 2.364 -7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.853 4.272 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.756 2.510 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.627 3.327 -6.724 1.00 0.00 H new ATOM 105 N LEU A 8 1.507 2.816 -4.051 1.00 0.00 N ATOM 106 CA LEU A 8 0.156 2.926 -3.516 1.00 0.00 C ATOM 107 C LEU A 8 -0.279 4.386 -3.438 1.00 0.00 C ATOM 108 O LEU A 8 0.504 5.261 -3.067 1.00 0.00 O ATOM 109 CB LEU A 8 0.083 2.279 -2.131 1.00 0.00 C ATOM 110 CG LEU A 8 -1.064 1.289 -1.947 1.00 0.00 C ATOM 111 CD1 LEU A 8 -0.830 0.417 -0.724 1.00 0.00 C ATOM 112 CD2 LEU A 8 -2.389 2.026 -1.837 1.00 0.00 C ATOM 0 H LEU A 8 2.119 3.598 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.523 2.402 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.024 1.764 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.011 3.066 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.103 0.641 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.659 -0.281 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.099 -0.140 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.762 1.046 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.196 1.305 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.361 2.699 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.561 2.603 -2.746 1.00 0.00 H new ATOM 124 N ARG A 9 -1.534 4.641 -3.794 1.00 0.00 N ATOM 125 CA ARG A 9 -2.078 5.994 -3.770 1.00 0.00 C ATOM 126 C ARG A 9 -3.574 5.973 -3.475 1.00 0.00 C ATOM 127 O ARG A 9 -4.303 5.112 -3.969 1.00 0.00 O ATOM 128 CB ARG A 9 -1.821 6.693 -5.106 1.00 0.00 C ATOM 129 CG ARG A 9 -0.386 6.567 -5.593 1.00 0.00 C ATOM 130 CD ARG A 9 -0.072 7.592 -6.670 1.00 0.00 C ATOM 131 NE ARG A 9 1.197 7.312 -7.339 1.00 0.00 N ATOM 132 CZ ARG A 9 1.869 8.209 -8.057 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.398 9.441 -8.202 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.015 7.872 -8.633 1.00 0.00 N ATOM 0 H ARG A 9 -2.194 3.927 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.576 6.547 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.489 6.276 -5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.071 7.749 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.297 6.698 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.220 5.563 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.876 7.602 -7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.035 8.586 -6.225 1.00 0.00 H new ATOM 0 HE ARG A 9 1.590 6.375 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.516 9.705 -7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.918 10.124 -8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.381 6.926 -8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.531 8.559 -9.183 1.00 0.00 H new ATOM 148 N SER A 10 -4.025 6.924 -2.664 1.00 0.00 N ATOM 149 CA SER A 10 -5.434 7.014 -2.300 1.00 0.00 C ATOM 150 C SER A 10 -6.285 7.409 -3.505 1.00 0.00 C ATOM 151 O SER A 10 -5.847 8.182 -4.358 1.00 0.00 O ATOM 152 CB SER A 10 -5.627 8.028 -1.171 1.00 0.00 C ATOM 153 OG SER A 10 -5.528 7.403 0.097 1.00 0.00 O ATOM 0 H SER A 10 -3.435 7.643 -2.246 1.00 0.00 H new ATOM 0 HA SER A 10 -5.757 6.031 -1.956 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.877 8.815 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.602 8.506 -1.270 1.00 0.00 H new ATOM 0 HG SER A 10 -6.367 7.526 0.589 1.00 0.00 H new ATOM 159 N PRO A 11 -7.519 6.881 -3.592 1.00 0.00 N ATOM 160 CA PRO A 11 -8.430 7.183 -4.699 1.00 0.00 C ATOM 161 C PRO A 11 -9.021 8.586 -4.599 1.00 0.00 C ATOM 162 O PRO A 11 -9.416 9.177 -5.604 1.00 0.00 O ATOM 163 CB PRO A 11 -9.527 6.129 -4.546 1.00 0.00 C ATOM 164 CG PRO A 11 -9.544 5.814 -3.091 1.00 0.00 C ATOM 165 CD PRO A 11 -8.121 5.950 -2.618 1.00 0.00 C ATOM 0 HA PRO A 11 -7.924 7.158 -5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.492 6.510 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.310 5.242 -5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.201 6.497 -2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.919 4.806 -2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.072 6.345 -1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.607 4.989 -2.612 1.00 0.00 H new ATOM 173 N SER A 12 -9.079 9.114 -3.380 1.00 0.00 N ATOM 174 CA SER A 12 -9.622 10.447 -3.151 1.00 0.00 C ATOM 175 C SER A 12 -9.015 11.075 -1.900 1.00 0.00 C ATOM 176 O SER A 12 -8.216 10.448 -1.205 1.00 0.00 O ATOM 177 CB SER A 12 -11.145 10.384 -3.017 1.00 0.00 C ATOM 178 OG SER A 12 -11.729 9.732 -4.131 1.00 0.00 O ATOM 0 H SER A 12 -8.757 8.639 -2.537 1.00 0.00 H new ATOM 0 HA SER A 12 -9.365 11.069 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.411 9.855 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.548 11.393 -2.930 1.00 0.00 H new ATOM 0 HG SER A 12 -12.702 9.704 -4.020 1.00 0.00 H new ATOM 184 N ALA A 13 -9.400 12.316 -1.620 1.00 0.00 N ATOM 185 CA ALA A 13 -8.893 13.028 -0.453 1.00 0.00 C ATOM 186 C ALA A 13 -9.556 12.529 0.826 1.00 0.00 C ATOM 187 O ALA A 13 -10.771 12.638 0.990 1.00 0.00 O ATOM 188 CB ALA A 13 -9.110 14.525 -0.614 1.00 0.00 C ATOM 0 H ALA A 13 -10.061 12.849 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.823 12.833 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.727 15.045 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.583 14.876 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.175 14.729 -0.720 1.00 0.00 H new ATOM 194 N GLY A 14 -8.749 11.984 1.731 1.00 0.00 N ATOM 195 CA GLY A 14 -9.275 11.478 2.985 1.00 0.00 C ATOM 196 C GLY A 14 -8.383 11.811 4.164 1.00 0.00 C ATOM 197 O GLY A 14 -7.892 12.934 4.282 1.00 0.00 O ATOM 0 H GLY A 14 -7.740 11.884 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.267 11.896 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.392 10.397 2.916 1.00 0.00 H new ATOM 201 N LYS A 15 -8.172 10.833 5.039 1.00 0.00 N ATOM 202 CA LYS A 15 -7.332 11.028 6.216 1.00 0.00 C ATOM 203 C LYS A 15 -6.901 9.687 6.802 1.00 0.00 C ATOM 204 O LYS A 15 -7.714 8.777 6.955 1.00 0.00 O ATOM 205 CB LYS A 15 -8.078 11.844 7.273 1.00 0.00 C ATOM 206 CG LYS A 15 -7.197 12.294 8.426 1.00 0.00 C ATOM 207 CD LYS A 15 -7.325 11.364 9.622 1.00 0.00 C ATOM 208 CE LYS A 15 -8.435 11.811 10.559 1.00 0.00 C ATOM 209 NZ LYS A 15 -9.751 11.226 10.181 1.00 0.00 N ATOM 0 H LYS A 15 -8.571 9.898 4.956 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.440 11.575 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.518 12.721 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.901 11.248 7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.158 12.327 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.471 13.307 8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.526 10.350 9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.380 11.334 10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.188 11.519 11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.504 12.899 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.202 10.813 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.363 11.971 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.609 10.485 9.465 1.00 0.00 H new ATOM 223 N LEU A 16 -5.617 9.574 7.127 1.00 0.00 N ATOM 224 CA LEU A 16 -5.078 8.344 7.696 1.00 0.00 C ATOM 225 C LEU A 16 -5.628 8.108 9.100 1.00 0.00 C ATOM 226 O LEU A 16 -5.138 8.680 10.074 1.00 0.00 O ATOM 227 CB LEU A 16 -3.549 8.405 7.736 1.00 0.00 C ATOM 228 CG LEU A 16 -2.835 7.093 7.407 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.330 6.530 6.083 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.329 7.304 7.368 1.00 0.00 C ATOM 0 H LEU A 16 -4.931 10.319 7.006 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.385 7.513 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.214 9.168 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.240 8.728 8.730 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.063 6.371 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.810 5.597 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.402 6.342 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.134 7.247 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.835 6.361 7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.085 8.042 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.986 7.660 8.339 1.00 0.00 H new ATOM 242 N THR A 17 -6.651 7.264 9.197 1.00 0.00 N ATOM 243 CA THR A 17 -7.270 6.955 10.482 1.00 0.00 C ATOM 244 C THR A 17 -6.396 6.006 11.300 1.00 0.00 C ATOM 245 O THR A 17 -6.170 6.227 12.489 1.00 0.00 O ATOM 246 CB THR A 17 -8.657 6.341 10.271 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.349 6.233 11.502 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.617 4.964 9.645 1.00 0.00 C ATOM 0 H THR A 17 -7.069 6.782 8.401 1.00 0.00 H new ATOM 0 HA THR A 17 -7.374 7.887 11.037 1.00 0.00 H new ATOM 0 HB THR A 17 -9.169 7.017 9.586 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.233 5.840 11.347 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.634 4.589 9.525 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.134 5.022 8.670 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.055 4.288 10.289 1.00 0.00 H new ATOM 256 N GLN A 18 -5.910 4.949 10.656 1.00 0.00 N ATOM 257 CA GLN A 18 -5.064 3.967 11.327 1.00 0.00 C ATOM 258 C GLN A 18 -4.380 3.051 10.314 1.00 0.00 C ATOM 259 O GLN A 18 -4.300 3.374 9.128 1.00 0.00 O ATOM 260 CB GLN A 18 -5.898 3.139 12.309 1.00 0.00 C ATOM 261 CG GLN A 18 -5.198 2.878 13.633 1.00 0.00 C ATOM 262 CD GLN A 18 -6.156 2.861 14.807 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.113 3.737 15.671 1.00 0.00 O ATOM 264 NE2 GLN A 18 -7.029 1.861 14.845 1.00 0.00 N ATOM 0 H GLN A 18 -6.087 4.751 9.671 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.290 4.502 11.878 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.838 3.656 12.500 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.148 2.185 11.846 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.676 1.923 13.581 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.442 3.646 13.797 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.030 1.156 14.108 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.699 1.798 15.612 1.00 0.00 H new ATOM 273 N TYR A 19 -3.887 1.909 10.786 1.00 0.00 N ATOM 274 CA TYR A 19 -3.210 0.951 9.919 1.00 0.00 C ATOM 275 C TYR A 19 -3.387 -0.473 10.436 1.00 0.00 C ATOM 276 O TYR A 19 -3.329 -0.719 11.641 1.00 0.00 O ATOM 277 CB TYR A 19 -1.722 1.285 9.819 1.00 0.00 C ATOM 278 CG TYR A 19 -1.043 1.435 11.162 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.477 0.339 11.802 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.967 2.672 11.789 1.00 0.00 C ATOM 281 CE1 TYR A 19 0.144 0.472 13.030 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.347 2.814 13.016 1.00 0.00 C ATOM 283 CZ TYR A 19 0.206 1.711 13.632 1.00 0.00 C ATOM 284 OH TYR A 19 0.824 1.847 14.854 1.00 0.00 O ATOM 0 H TYR A 19 -3.944 1.625 11.764 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.659 1.018 8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.220 0.501 9.253 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.603 2.211 9.256 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.523 -0.632 11.332 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.400 3.538 11.310 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.578 -0.390 13.515 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.296 3.783 13.490 1.00 0.00 H new ATOM 0 HH TYR A 19 0.782 2.784 15.139 1.00 0.00 H new ATOM 294 N THR A 20 -3.607 -1.408 9.517 1.00 0.00 N ATOM 295 CA THR A 20 -3.797 -2.809 9.877 1.00 0.00 C ATOM 296 C THR A 20 -2.496 -3.602 9.754 1.00 0.00 C ATOM 297 O THR A 20 -2.449 -4.783 10.098 1.00 0.00 O ATOM 298 CB THR A 20 -4.874 -3.442 8.993 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.350 -3.765 7.718 1.00 0.00 O ATOM 300 CG2 THR A 20 -6.078 -2.550 8.782 1.00 0.00 C ATOM 0 H THR A 20 -3.658 -1.220 8.516 1.00 0.00 H new ATOM 0 HA THR A 20 -4.117 -2.841 10.919 1.00 0.00 H new ATOM 0 HB THR A 20 -5.195 -4.337 9.527 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.048 -4.187 7.175 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.802 -3.060 8.147 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.536 -2.324 9.745 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.764 -1.623 8.302 1.00 0.00 H new ATOM 308 N VAL A 21 -1.442 -2.955 9.261 1.00 0.00 N ATOM 309 CA VAL A 21 -0.153 -3.617 9.099 1.00 0.00 C ATOM 310 C VAL A 21 1.001 -2.632 9.248 1.00 0.00 C ATOM 311 O VAL A 21 0.911 -1.482 8.817 1.00 0.00 O ATOM 312 CB VAL A 21 -0.045 -4.311 7.729 1.00 0.00 C ATOM 313 CG1 VAL A 21 -1.072 -5.427 7.613 1.00 0.00 C ATOM 314 CG2 VAL A 21 -0.212 -3.304 6.600 1.00 0.00 C ATOM 0 H VAL A 21 -1.456 -1.978 8.969 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.087 -4.368 9.886 1.00 0.00 H new ATOM 0 HB VAL A 21 0.949 -4.751 7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.980 -5.906 6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.898 -6.164 8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.074 -5.012 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.132 -3.816 5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.190 -2.829 6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.567 -2.545 6.672 1.00 0.00 H new ATOM 324 N GLU A 22 2.086 -3.092 9.862 1.00 0.00 N ATOM 325 CA GLU A 22 3.263 -2.257 10.071 1.00 0.00 C ATOM 326 C GLU A 22 3.953 -1.947 8.747 1.00 0.00 C ATOM 327 O GLU A 22 3.472 -2.329 7.680 1.00 0.00 O ATOM 328 CB GLU A 22 4.243 -2.952 11.017 1.00 0.00 C ATOM 329 CG GLU A 22 4.813 -4.247 10.457 1.00 0.00 C ATOM 330 CD GLU A 22 4.618 -5.424 11.393 1.00 0.00 C ATOM 331 OE1 GLU A 22 3.540 -6.053 11.339 1.00 0.00 O ATOM 332 OE2 GLU A 22 5.543 -5.717 12.180 1.00 0.00 O ATOM 0 H GLU A 22 2.174 -4.041 10.224 1.00 0.00 H new ATOM 0 HA GLU A 22 2.937 -1.318 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.063 -2.271 11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.738 -3.164 11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.337 -4.465 9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.877 -4.116 10.261 1.00 0.00 H new ATOM 339 N ASP A 23 5.085 -1.254 8.823 1.00 0.00 N ATOM 340 CA ASP A 23 5.844 -0.896 7.631 1.00 0.00 C ATOM 341 C ASP A 23 6.277 -2.145 6.871 1.00 0.00 C ATOM 342 O ASP A 23 6.633 -3.158 7.473 1.00 0.00 O ATOM 343 CB ASP A 23 7.070 -0.064 8.011 1.00 0.00 C ATOM 344 CG ASP A 23 7.846 0.409 6.798 1.00 0.00 C ATOM 345 OD1 ASP A 23 8.584 -0.409 6.209 1.00 0.00 O ATOM 346 OD2 ASP A 23 7.717 1.598 6.438 1.00 0.00 O ATOM 0 H ASP A 23 5.496 -0.929 9.698 1.00 0.00 H new ATOM 0 HA ASP A 23 5.199 -0.302 6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.753 0.800 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.725 -0.657 8.649 1.00 0.00 H new ATOM 351 N GLY A 24 6.244 -2.068 5.545 1.00 0.00 N ATOM 352 CA GLY A 24 6.634 -3.200 4.726 1.00 0.00 C ATOM 353 C GLY A 24 5.787 -4.429 4.996 1.00 0.00 C ATOM 354 O GLY A 24 6.241 -5.558 4.811 1.00 0.00 O ATOM 0 H GLY A 24 5.954 -1.241 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.551 -2.929 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.682 -3.436 4.913 1.00 0.00 H new ATOM 358 N GLY A 25 4.552 -4.209 5.438 1.00 0.00 N ATOM 359 CA GLY A 25 3.659 -5.316 5.730 1.00 0.00 C ATOM 360 C GLY A 25 3.302 -6.117 4.493 1.00 0.00 C ATOM 361 O GLY A 25 2.597 -5.629 3.610 1.00 0.00 O ATOM 0 H GLY A 25 4.154 -3.284 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.128 -5.974 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.746 -4.932 6.186 1.00 0.00 H new ATOM 365 N HIS A 26 3.793 -7.350 4.430 1.00 0.00 N ATOM 366 CA HIS A 26 3.524 -8.225 3.293 1.00 0.00 C ATOM 367 C HIS A 26 2.036 -8.538 3.180 1.00 0.00 C ATOM 368 O HIS A 26 1.436 -9.090 4.102 1.00 0.00 O ATOM 369 CB HIS A 26 4.323 -9.523 3.422 1.00 0.00 C ATOM 370 CG HIS A 26 4.338 -10.343 2.169 1.00 0.00 C ATOM 371 ND1 HIS A 26 5.495 -10.653 1.486 1.00 0.00 N ATOM 372 CD2 HIS A 26 3.328 -10.919 1.474 1.00 0.00 C ATOM 373 CE1 HIS A 26 5.197 -11.383 0.426 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.889 -11.558 0.396 1.00 0.00 N ATOM 0 H HIS A 26 4.380 -7.767 5.153 1.00 0.00 H new ATOM 0 HA HIS A 26 3.833 -7.703 2.387 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.349 -9.283 3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.903 -10.120 4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.277 -10.882 1.722 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.903 -11.771 -0.293 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.378 -12.083 -0.313 1.00 0.00 H new ATOM 383 N VAL A 27 1.448 -8.183 2.042 1.00 0.00 N ATOM 384 CA VAL A 27 0.030 -8.429 1.808 1.00 0.00 C ATOM 385 C VAL A 27 -0.249 -8.708 0.334 1.00 0.00 C ATOM 386 O VAL A 27 0.350 -8.093 -0.549 1.00 0.00 O ATOM 387 CB VAL A 27 -0.832 -7.235 2.263 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.627 -6.962 3.745 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.515 -5.997 1.436 1.00 0.00 C ATOM 0 H VAL A 27 1.931 -7.725 1.269 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.236 -9.307 2.397 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.880 -7.488 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.244 -6.116 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.912 -7.843 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.422 -6.731 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.134 -5.166 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.537 -5.738 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.720 -6.199 0.385 1.00 0.00 H new ATOM 399 N GLU A 28 -1.166 -9.635 0.075 1.00 0.00 N ATOM 400 CA GLU A 28 -1.529 -9.988 -1.292 1.00 0.00 C ATOM 401 C GLU A 28 -2.593 -9.036 -1.831 1.00 0.00 C ATOM 402 O GLU A 28 -3.291 -8.373 -1.063 1.00 0.00 O ATOM 403 CB GLU A 28 -2.034 -11.433 -1.354 1.00 0.00 C ATOM 404 CG GLU A 28 -3.411 -11.627 -0.737 1.00 0.00 C ATOM 405 CD GLU A 28 -3.428 -12.706 0.328 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.752 -12.530 1.363 1.00 0.00 O ATOM 407 OE2 GLU A 28 -4.118 -13.728 0.127 1.00 0.00 O ATOM 0 H GLU A 28 -1.670 -10.154 0.793 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.639 -9.900 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.064 -11.754 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.322 -12.080 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.745 -10.686 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.123 -11.885 -1.521 1.00 0.00 H new ATOM 414 N ALA A 29 -2.713 -8.973 -3.154 1.00 0.00 N ATOM 415 CA ALA A 29 -3.695 -8.102 -3.795 1.00 0.00 C ATOM 416 C ALA A 29 -5.073 -8.251 -3.155 1.00 0.00 C ATOM 417 O ALA A 29 -5.559 -9.365 -2.957 1.00 0.00 O ATOM 418 CB ALA A 29 -3.770 -8.397 -5.285 1.00 0.00 C ATOM 0 H ALA A 29 -2.143 -9.514 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.370 -7.071 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.506 -7.740 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.794 -8.227 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.064 -9.436 -5.436 1.00 0.00 H new ATOM 424 N GLY A 30 -5.697 -7.122 -2.833 1.00 0.00 N ATOM 425 CA GLY A 30 -7.012 -7.152 -2.220 1.00 0.00 C ATOM 426 C GLY A 30 -6.952 -7.057 -0.707 1.00 0.00 C ATOM 427 O GLY A 30 -7.909 -6.618 -0.069 1.00 0.00 O ATOM 0 H GLY A 30 -5.316 -6.188 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.609 -6.327 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.520 -8.074 -2.503 1.00 0.00 H new ATOM 431 N SER A 31 -5.827 -7.469 -0.132 1.00 0.00 N ATOM 432 CA SER A 31 -5.649 -7.429 1.314 1.00 0.00 C ATOM 433 C SER A 31 -5.483 -5.993 1.803 1.00 0.00 C ATOM 434 O SER A 31 -4.622 -5.258 1.319 1.00 0.00 O ATOM 435 CB SER A 31 -4.434 -8.262 1.723 1.00 0.00 C ATOM 436 OG SER A 31 -4.153 -8.112 3.104 1.00 0.00 O ATOM 0 H SER A 31 -5.025 -7.834 -0.646 1.00 0.00 H new ATOM 0 HA SER A 31 -6.542 -7.850 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.617 -9.313 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.567 -7.957 1.137 1.00 0.00 H new ATOM 0 HG SER A 31 -3.373 -8.656 3.340 1.00 0.00 H new ATOM 442 N SER A 32 -6.312 -5.601 2.764 1.00 0.00 N ATOM 443 CA SER A 32 -6.258 -4.254 3.319 1.00 0.00 C ATOM 444 C SER A 32 -4.959 -4.035 4.088 1.00 0.00 C ATOM 445 O SER A 32 -4.507 -4.910 4.827 1.00 0.00 O ATOM 446 CB SER A 32 -7.456 -4.008 4.237 1.00 0.00 C ATOM 447 OG SER A 32 -8.521 -4.892 3.934 1.00 0.00 O ATOM 0 H SER A 32 -7.030 -6.198 3.175 1.00 0.00 H new ATOM 0 HA SER A 32 -6.294 -3.546 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.155 -4.139 5.276 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.794 -2.977 4.131 1.00 0.00 H new ATOM 0 HG SER A 32 -9.274 -4.715 4.536 1.00 0.00 H new ATOM 453 N TYR A 33 -4.363 -2.861 3.907 1.00 0.00 N ATOM 454 CA TYR A 33 -3.114 -2.524 4.583 1.00 0.00 C ATOM 455 C TYR A 33 -3.313 -1.383 5.582 1.00 0.00 C ATOM 456 O TYR A 33 -2.454 -1.133 6.428 1.00 0.00 O ATOM 457 CB TYR A 33 -2.043 -2.142 3.557 1.00 0.00 C ATOM 458 CG TYR A 33 -2.277 -0.799 2.901 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.790 0.369 3.475 1.00 0.00 C ATOM 460 CD2 TYR A 33 -2.983 -0.699 1.709 1.00 0.00 C ATOM 461 CE1 TYR A 33 -2.001 1.598 2.879 1.00 0.00 C ATOM 462 CE2 TYR A 33 -3.198 0.526 1.107 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.705 1.672 1.696 1.00 0.00 C ATOM 464 OH TYR A 33 -2.914 2.895 1.101 1.00 0.00 O ATOM 0 H TYR A 33 -4.724 -2.127 3.298 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.784 -3.404 5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.070 -2.131 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.002 -2.911 2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.238 0.316 4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.370 -1.594 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.616 2.497 3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.749 0.586 0.180 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.630 3.608 1.710 1.00 0.00 H new ATOM 474 N ALA A 34 -4.446 -0.692 5.478 1.00 0.00 N ATOM 475 CA ALA A 34 -4.747 0.420 6.370 1.00 0.00 C ATOM 476 C ALA A 34 -6.177 0.909 6.169 1.00 0.00 C ATOM 477 O ALA A 34 -6.978 0.255 5.502 1.00 0.00 O ATOM 478 CB ALA A 34 -3.760 1.556 6.145 1.00 0.00 C ATOM 0 H ALA A 34 -5.169 -0.884 4.785 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.652 0.070 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.995 2.381 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.748 1.203 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.829 1.899 5.112 1.00 0.00 H new ATOM 484 N GLU A 35 -6.489 2.064 6.748 1.00 0.00 N ATOM 485 CA GLU A 35 -7.824 2.641 6.633 1.00 0.00 C ATOM 486 C GLU A 35 -7.749 4.160 6.524 1.00 0.00 C ATOM 487 O GLU A 35 -6.704 4.759 6.777 1.00 0.00 O ATOM 488 CB GLU A 35 -8.679 2.252 7.842 1.00 0.00 C ATOM 489 CG GLU A 35 -8.937 0.759 7.955 1.00 0.00 C ATOM 490 CD GLU A 35 -8.584 0.207 9.323 1.00 0.00 C ATOM 491 OE1 GLU A 35 -8.549 0.996 10.290 1.00 0.00 O ATOM 492 OE2 GLU A 35 -8.340 -1.014 9.426 1.00 0.00 O ATOM 0 H GLU A 35 -5.836 2.619 7.301 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.285 2.247 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.185 2.596 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.635 2.773 7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.988 0.559 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.357 0.235 7.195 1.00 0.00 H new ATOM 499 N MET A 36 -8.864 4.776 6.148 1.00 0.00 N ATOM 500 CA MET A 36 -8.923 6.226 6.009 1.00 0.00 C ATOM 501 C MET A 36 -10.337 6.740 6.259 1.00 0.00 C ATOM 502 O MET A 36 -11.285 6.331 5.589 1.00 0.00 O ATOM 503 CB MET A 36 -8.449 6.647 4.616 1.00 0.00 C ATOM 504 CG MET A 36 -9.388 6.225 3.497 1.00 0.00 C ATOM 505 SD MET A 36 -8.519 5.856 1.961 1.00 0.00 S ATOM 506 CE MET A 36 -9.845 6.031 0.771 1.00 0.00 C ATOM 0 H MET A 36 -9.738 4.295 5.934 1.00 0.00 H new ATOM 0 HA MET A 36 -8.261 6.665 6.756 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.335 7.731 4.593 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.464 6.219 4.432 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.950 5.346 3.812 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.113 7.019 3.318 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.621 5.434 -0.113 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.779 5.687 1.214 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.943 7.079 0.486 1.00 0.00 H new ATOM 516 N GLU A 37 -10.472 7.639 7.228 1.00 0.00 N ATOM 517 CA GLU A 37 -11.770 8.210 7.567 1.00 0.00 C ATOM 518 C GLU A 37 -12.038 9.473 6.756 1.00 0.00 C ATOM 519 O GLU A 37 -11.454 10.526 7.016 1.00 0.00 O ATOM 520 CB GLU A 37 -11.838 8.525 9.062 1.00 0.00 C ATOM 521 CG GLU A 37 -13.256 8.621 9.600 1.00 0.00 C ATOM 522 CD GLU A 37 -13.319 9.283 10.963 1.00 0.00 C ATOM 523 OE1 GLU A 37 -12.573 8.853 11.867 1.00 0.00 O ATOM 524 OE2 GLU A 37 -14.115 10.232 11.126 1.00 0.00 O ATOM 0 H GLU A 37 -9.698 7.988 7.793 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.537 7.475 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.301 7.752 9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.322 9.467 9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.870 9.185 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.684 7.621 9.666 1.00 0.00 H new ATOM 531 N VAL A 38 -12.925 9.361 5.774 1.00 0.00 N ATOM 532 CA VAL A 38 -13.274 10.495 4.924 1.00 0.00 C ATOM 533 C VAL A 38 -14.477 11.242 5.490 1.00 0.00 C ATOM 534 O VAL A 38 -15.103 10.790 6.449 1.00 0.00 O ATOM 535 CB VAL A 38 -13.592 10.049 3.479 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.296 11.170 2.495 1.00 0.00 C ATOM 537 CG2 VAL A 38 -12.810 8.794 3.112 1.00 0.00 C ATOM 0 H VAL A 38 -13.416 8.497 5.546 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.407 11.156 4.903 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.655 9.814 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.526 10.836 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.907 12.039 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.242 11.440 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.051 8.501 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.742 8.996 3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.077 7.987 3.794 1.00 0.00 H new ATOM 547 N MET A 39 -14.798 12.386 4.894 1.00 0.00 N ATOM 548 CA MET A 39 -15.927 13.189 5.347 1.00 0.00 C ATOM 549 C MET A 39 -17.223 12.387 5.284 1.00 0.00 C ATOM 550 O MET A 39 -18.144 12.614 6.068 1.00 0.00 O ATOM 551 CB MET A 39 -16.055 14.455 4.497 1.00 0.00 C ATOM 552 CG MET A 39 -14.731 15.167 4.264 1.00 0.00 C ATOM 553 SD MET A 39 -14.690 16.819 4.988 1.00 0.00 S ATOM 554 CE MET A 39 -14.027 16.459 6.612 1.00 0.00 C ATOM 0 H MET A 39 -14.293 12.777 4.098 1.00 0.00 H new ATOM 0 HA MET A 39 -15.746 13.474 6.383 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.492 14.193 3.533 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.747 15.142 4.985 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.923 14.570 4.687 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.546 15.240 3.192 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.941 17.383 7.183 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.693 15.771 7.133 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.042 16.003 6.510 1.00 0.00 H new ATOM 564 N LYS A 40 -17.285 11.446 4.347 1.00 0.00 N ATOM 565 CA LYS A 40 -18.466 10.607 4.185 1.00 0.00 C ATOM 566 C LYS A 40 -18.508 9.517 5.251 1.00 0.00 C ATOM 567 O LYS A 40 -19.306 9.580 6.186 1.00 0.00 O ATOM 568 CB LYS A 40 -18.480 9.973 2.792 1.00 0.00 C ATOM 569 CG LYS A 40 -18.997 10.903 1.706 1.00 0.00 C ATOM 570 CD LYS A 40 -20.503 11.084 1.798 1.00 0.00 C ATOM 571 CE LYS A 40 -20.993 12.168 0.852 1.00 0.00 C ATOM 572 NZ LYS A 40 -22.479 12.256 0.828 1.00 0.00 N ATOM 0 H LYS A 40 -16.532 11.246 3.689 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.348 11.238 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.469 9.656 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.099 9.076 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.507 11.873 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.737 10.501 0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.999 10.142 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.778 11.341 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.578 13.129 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.625 11.965 -0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.772 13.007 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.876 11.347 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.829 12.475 1.782 1.00 0.00 H new ATOM 586 N MET A 41 -17.643 8.518 5.104 1.00 0.00 N ATOM 587 CA MET A 41 -17.580 7.414 6.054 1.00 0.00 C ATOM 588 C MET A 41 -16.175 6.821 6.109 1.00 0.00 C ATOM 589 O MET A 41 -15.257 7.312 5.453 1.00 0.00 O ATOM 590 CB MET A 41 -18.590 6.329 5.672 1.00 0.00 C ATOM 591 CG MET A 41 -19.981 6.568 6.234 1.00 0.00 C ATOM 592 SD MET A 41 -20.976 5.065 6.288 1.00 0.00 S ATOM 593 CE MET A 41 -22.614 5.732 6.007 1.00 0.00 C ATOM 0 H MET A 41 -16.976 8.451 4.335 1.00 0.00 H new ATOM 0 HA MET A 41 -17.829 7.802 7.042 1.00 0.00 H new ATOM 0 HB2 MET A 41 -18.652 6.268 4.585 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.225 5.364 6.025 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.896 6.979 7.240 1.00 0.00 H new ATOM 0 HG3 MET A 41 -20.491 7.315 5.626 1.00 0.00 H new ATOM 0 HE1 MET A 41 -23.343 4.921 6.012 1.00 0.00 H new ATOM 0 HE2 MET A 41 -22.857 6.444 6.796 1.00 0.00 H new ATOM 0 HE3 MET A 41 -22.640 6.237 5.042 1.00 0.00 H new ATOM 603 N ILE A 42 -16.017 5.761 6.895 1.00 0.00 N ATOM 604 CA ILE A 42 -14.726 5.097 7.035 1.00 0.00 C ATOM 605 C ILE A 42 -14.484 4.130 5.879 1.00 0.00 C ATOM 606 O ILE A 42 -15.427 3.578 5.313 1.00 0.00 O ATOM 607 CB ILE A 42 -14.635 4.328 8.369 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.274 3.639 8.506 1.00 0.00 C ATOM 609 CG2 ILE A 42 -15.760 3.310 8.470 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.102 4.595 8.461 1.00 0.00 C ATOM 0 H ILE A 42 -16.767 5.343 7.445 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.961 5.873 7.022 1.00 0.00 H new ATOM 0 HB ILE A 42 -14.738 5.043 9.185 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.248 3.090 9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.165 2.907 7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.683 2.775 9.417 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.720 3.823 8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.684 2.601 7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.172 4.036 8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.102 5.127 7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.186 5.312 9.277 1.00 0.00 H new ATOM 622 N MET A 43 -13.216 3.931 5.533 1.00 0.00 N ATOM 623 CA MET A 43 -12.858 3.031 4.443 1.00 0.00 C ATOM 624 C MET A 43 -11.553 2.299 4.740 1.00 0.00 C ATOM 625 O MET A 43 -10.804 2.682 5.639 1.00 0.00 O ATOM 626 CB MET A 43 -12.731 3.810 3.132 1.00 0.00 C ATOM 627 CG MET A 43 -14.056 4.014 2.416 1.00 0.00 C ATOM 628 SD MET A 43 -14.573 2.561 1.482 1.00 0.00 S ATOM 629 CE MET A 43 -13.691 2.815 -0.056 1.00 0.00 C ATOM 0 H MET A 43 -12.422 4.379 5.990 1.00 0.00 H new ATOM 0 HA MET A 43 -13.652 2.290 4.345 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.285 4.783 3.339 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.047 3.280 2.469 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.825 4.263 3.147 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.972 4.865 1.740 1.00 0.00 H new ATOM 0 HE1 MET A 43 -13.909 1.995 -0.740 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.007 3.757 -0.505 1.00 0.00 H new ATOM 0 HE3 MET A 43 -12.619 2.848 0.140 1.00 0.00 H new ATOM 639 N THR A 44 -11.290 1.242 3.978 1.00 0.00 N ATOM 640 CA THR A 44 -10.077 0.450 4.155 1.00 0.00 C ATOM 641 C THR A 44 -9.234 0.456 2.883 1.00 0.00 C ATOM 642 O THR A 44 -9.738 0.190 1.792 1.00 0.00 O ATOM 643 CB THR A 44 -10.432 -0.990 4.537 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.805 -1.099 4.870 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.633 -1.513 5.711 1.00 0.00 C ATOM 0 H THR A 44 -11.902 0.913 3.231 1.00 0.00 H new ATOM 0 HA THR A 44 -9.495 0.899 4.960 1.00 0.00 H new ATOM 0 HB THR A 44 -10.191 -1.588 3.658 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.011 -2.027 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.934 -2.538 5.929 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.571 -1.491 5.467 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.818 -0.887 6.584 1.00 0.00 H new ATOM 653 N LEU A 45 -7.948 0.758 3.031 1.00 0.00 N ATOM 654 CA LEU A 45 -7.037 0.794 1.893 1.00 0.00 C ATOM 655 C LEU A 45 -6.355 -0.557 1.705 1.00 0.00 C ATOM 656 O LEU A 45 -5.904 -1.175 2.669 1.00 0.00 O ATOM 657 CB LEU A 45 -5.984 1.886 2.087 1.00 0.00 C ATOM 658 CG LEU A 45 -6.541 3.293 2.312 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.689 3.575 3.799 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.645 4.333 1.656 1.00 0.00 C ATOM 0 H LEU A 45 -7.514 0.981 3.927 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.619 1.018 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.359 1.619 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.337 1.904 1.210 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.527 3.351 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.086 4.580 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.372 2.849 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.715 3.498 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.057 5.328 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.645 4.276 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.590 4.142 0.584 1.00 0.00 H new ATOM 672 N ASN A 46 -6.283 -1.010 0.458 1.00 0.00 N ATOM 673 CA ASN A 46 -5.655 -2.288 0.146 1.00 0.00 C ATOM 674 C ASN A 46 -4.713 -2.156 -1.046 1.00 0.00 C ATOM 675 O ASN A 46 -4.626 -1.097 -1.667 1.00 0.00 O ATOM 676 CB ASN A 46 -6.722 -3.345 -0.148 1.00 0.00 C ATOM 677 CG ASN A 46 -7.620 -2.954 -1.305 1.00 0.00 C ATOM 678 OD1 ASN A 46 -8.505 -1.993 -1.069 1.00 0.00 O flip ATOM 679 ND2 ASN A 46 -7.518 -3.509 -2.400 1.00 0.00 N flip ATOM 0 H ASN A 46 -6.651 -0.512 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.073 -2.599 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.236 -4.294 -0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.330 -3.501 0.743 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.823 -4.243 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.128 -3.234 -3.170 1.00 0.00 H new ATOM 686 N VAL A 47 -4.011 -3.240 -1.361 1.00 0.00 N ATOM 687 CA VAL A 47 -3.076 -3.246 -2.480 1.00 0.00 C ATOM 688 C VAL A 47 -3.753 -3.747 -3.752 1.00 0.00 C ATOM 689 O VAL A 47 -4.677 -4.558 -3.697 1.00 0.00 O ATOM 690 CB VAL A 47 -1.852 -4.132 -2.183 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.035 -3.548 -1.042 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.286 -5.555 -1.864 1.00 0.00 C ATOM 0 H VAL A 47 -4.072 -4.125 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.744 -2.218 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.223 -4.160 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.174 -4.187 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.691 -2.550 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.653 -3.487 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.407 -6.166 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.938 -5.549 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.824 -5.971 -2.716 1.00 0.00 H new ATOM 702 N GLN A 48 -3.288 -3.258 -4.897 1.00 0.00 N ATOM 703 CA GLN A 48 -3.852 -3.659 -6.182 1.00 0.00 C ATOM 704 C GLN A 48 -3.206 -4.945 -6.698 1.00 0.00 C ATOM 705 O GLN A 48 -3.704 -5.562 -7.640 1.00 0.00 O ATOM 706 CB GLN A 48 -3.691 -2.534 -7.212 1.00 0.00 C ATOM 707 CG GLN A 48 -2.270 -2.361 -7.731 1.00 0.00 C ATOM 708 CD GLN A 48 -1.387 -1.584 -6.774 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.535 -2.296 -6.046 1.00 0.00 O flip ATOM 710 NE2 GLN A 48 -1.471 -0.359 -6.690 1.00 0.00 N flip ATOM 0 H GLN A 48 -2.524 -2.585 -4.962 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.914 -3.853 -6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.352 -2.732 -8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.019 -1.596 -6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.831 -3.343 -7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.299 -1.846 -8.691 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.141 0.147 -7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.871 0.150 -6.041 1.00 0.00 H new ATOM 719 N GLU A 49 -2.097 -5.345 -6.081 1.00 0.00 N ATOM 720 CA GLU A 49 -1.394 -6.555 -6.488 1.00 0.00 C ATOM 721 C GLU A 49 -0.595 -7.138 -5.328 1.00 0.00 C ATOM 722 O GLU A 49 -0.449 -6.507 -4.281 1.00 0.00 O ATOM 723 CB GLU A 49 -0.461 -6.256 -7.664 1.00 0.00 C ATOM 724 CG GLU A 49 -1.122 -6.423 -9.022 1.00 0.00 C ATOM 725 CD GLU A 49 -0.146 -6.250 -10.170 1.00 0.00 C ATOM 726 OE1 GLU A 49 0.924 -6.894 -10.142 1.00 0.00 O ATOM 727 OE2 GLU A 49 -0.452 -5.470 -11.097 1.00 0.00 O ATOM 0 H GLU A 49 -1.668 -4.849 -5.300 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.137 -7.289 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.090 -5.235 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.405 -6.916 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.576 -7.412 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.928 -5.696 -9.122 1.00 0.00 H new ATOM 734 N ARG A 50 -0.081 -8.348 -5.522 1.00 0.00 N ATOM 735 CA ARG A 50 0.703 -9.020 -4.493 1.00 0.00 C ATOM 736 C ARG A 50 2.036 -8.312 -4.276 1.00 0.00 C ATOM 737 O ARG A 50 2.769 -8.044 -5.228 1.00 0.00 O ATOM 738 CB ARG A 50 0.946 -10.481 -4.879 1.00 0.00 C ATOM 739 CG ARG A 50 -0.174 -11.416 -4.455 1.00 0.00 C ATOM 740 CD ARG A 50 -1.292 -11.450 -5.484 1.00 0.00 C ATOM 741 NE ARG A 50 -1.101 -12.517 -6.464 1.00 0.00 N ATOM 742 CZ ARG A 50 -1.244 -13.811 -6.188 1.00 0.00 C ATOM 743 NH1 ARG A 50 -1.577 -14.203 -4.964 1.00 0.00 N ATOM 744 NH2 ARG A 50 -1.054 -14.716 -7.138 1.00 0.00 N ATOM 0 H ARG A 50 -0.194 -8.883 -6.383 1.00 0.00 H new ATOM 0 HA ARG A 50 0.138 -8.987 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.073 -10.546 -5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.879 -10.817 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.223 -12.421 -4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.573 -11.094 -3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.247 -11.590 -4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.341 -10.490 -5.998 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.843 -12.255 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.725 -13.511 -4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.685 -15.196 -4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.798 -14.420 -8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.164 -15.708 -6.927 1.00 0.00 H new ATOM 758 N GLY A 51 2.345 -8.013 -3.019 1.00 0.00 N ATOM 759 CA GLY A 51 3.590 -7.339 -2.702 1.00 0.00 C ATOM 760 C GLY A 51 3.616 -6.812 -1.282 1.00 0.00 C ATOM 761 O GLY A 51 2.638 -6.944 -0.546 1.00 0.00 O ATOM 0 H GLY A 51 1.756 -8.225 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.421 -8.030 -2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.739 -6.512 -3.396 1.00 0.00 H new ATOM 765 N ARG A 52 4.738 -6.217 -0.892 1.00 0.00 N ATOM 766 CA ARG A 52 4.885 -5.675 0.450 1.00 0.00 C ATOM 767 C ARG A 52 4.510 -4.200 0.493 1.00 0.00 C ATOM 768 O ARG A 52 4.981 -3.402 -0.318 1.00 0.00 O ATOM 769 CB ARG A 52 6.318 -5.865 0.938 1.00 0.00 C ATOM 770 CG ARG A 52 6.577 -7.248 1.501 1.00 0.00 C ATOM 771 CD ARG A 52 7.669 -7.220 2.552 1.00 0.00 C ATOM 772 NE ARG A 52 8.477 -8.438 2.537 1.00 0.00 N ATOM 773 CZ ARG A 52 9.549 -8.626 3.304 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.945 -7.681 4.147 1.00 0.00 N ATOM 775 NH2 ARG A 52 10.226 -9.763 3.227 1.00 0.00 N ATOM 0 H ARG A 52 5.558 -6.099 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 52 4.206 -6.216 1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.004 -5.682 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.536 -5.121 1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.660 -7.643 1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.863 -7.923 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.312 -6.356 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.220 -7.095 3.537 1.00 0.00 H new ATOM 0 HE ARG A 52 8.204 -9.188 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.427 -6.804 4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.767 -7.831 4.732 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.926 -10.493 2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.047 -9.908 3.814 1.00 0.00 H new ATOM 789 N VAL A 53 3.658 -3.847 1.447 1.00 0.00 N ATOM 790 CA VAL A 53 3.212 -2.468 1.604 1.00 0.00 C ATOM 791 C VAL A 53 4.209 -1.652 2.419 1.00 0.00 C ATOM 792 O VAL A 53 4.508 -1.985 3.565 1.00 0.00 O ATOM 793 CB VAL A 53 1.832 -2.394 2.283 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.332 -0.958 2.331 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.835 -3.286 1.560 1.00 0.00 C ATOM 0 H VAL A 53 3.261 -4.498 2.125 1.00 0.00 H new ATOM 0 HA VAL A 53 3.138 -2.049 0.601 1.00 0.00 H new ATOM 0 HB VAL A 53 1.934 -2.752 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.356 -0.929 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.035 -0.347 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.246 -0.568 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.135 -3.222 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.738 -2.959 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.186 -4.318 1.583 1.00 0.00 H new ATOM 805 N LYS A 54 4.713 -0.578 1.823 1.00 0.00 N ATOM 806 CA LYS A 54 5.669 0.292 2.495 1.00 0.00 C ATOM 807 C LYS A 54 5.060 1.669 2.736 1.00 0.00 C ATOM 808 O LYS A 54 4.926 2.469 1.812 1.00 0.00 O ATOM 809 CB LYS A 54 6.948 0.420 1.665 1.00 0.00 C ATOM 810 CG LYS A 54 7.939 -0.708 1.899 1.00 0.00 C ATOM 811 CD LYS A 54 9.247 -0.461 1.164 1.00 0.00 C ATOM 812 CE LYS A 54 10.157 -1.677 1.223 1.00 0.00 C ATOM 813 NZ LYS A 54 9.862 -2.645 0.131 1.00 0.00 N ATOM 0 H LYS A 54 4.475 -0.289 0.874 1.00 0.00 H new ATOM 0 HA LYS A 54 5.919 -0.152 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.684 0.447 0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.429 1.370 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.133 -0.807 2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.505 -1.650 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.039 -0.211 0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.756 0.397 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.196 -1.356 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.040 -2.171 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.504 -3.460 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.878 -2.971 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.998 -2.181 -0.790 1.00 0.00 H new ATOM 827 N TYR A 55 4.682 1.931 3.982 1.00 0.00 N ATOM 828 CA TYR A 55 4.074 3.205 4.348 1.00 0.00 C ATOM 829 C TYR A 55 4.982 4.380 3.997 1.00 0.00 C ATOM 830 O TYR A 55 6.175 4.371 4.298 1.00 0.00 O ATOM 831 CB TYR A 55 3.754 3.227 5.843 1.00 0.00 C ATOM 832 CG TYR A 55 2.411 2.620 6.181 1.00 0.00 C ATOM 833 CD1 TYR A 55 2.003 1.426 5.601 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.554 3.241 7.080 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.776 0.868 5.907 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.326 2.689 7.391 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.058 1.503 6.802 1.00 0.00 C ATOM 838 OH TYR A 55 -1.279 0.950 7.109 1.00 0.00 O ATOM 0 H TYR A 55 4.786 1.277 4.757 1.00 0.00 H new ATOM 0 HA TYR A 55 3.151 3.308 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.533 2.688 6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.777 4.258 6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.655 0.926 4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.852 4.170 7.543 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.472 -0.061 5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.330 3.184 8.092 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.370 0.086 6.655 1.00 0.00 H new ATOM 848 N ILE A 56 4.400 5.396 3.367 1.00 0.00 N ATOM 849 CA ILE A 56 5.143 6.590 2.982 1.00 0.00 C ATOM 850 C ILE A 56 4.769 7.760 3.885 1.00 0.00 C ATOM 851 O ILE A 56 5.619 8.332 4.568 1.00 0.00 O ATOM 852 CB ILE A 56 4.886 6.962 1.499 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.891 6.250 0.590 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.961 8.470 1.282 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.931 4.751 0.784 1.00 0.00 C ATOM 0 H ILE A 56 3.413 5.415 3.112 1.00 0.00 H new ATOM 0 HA ILE A 56 6.205 6.373 3.098 1.00 0.00 H new ATOM 0 HB ILE A 56 3.878 6.634 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.644 6.466 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.885 6.658 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.776 8.696 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.209 8.964 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.952 8.829 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.665 4.316 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.208 4.525 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.948 4.330 0.572 1.00 0.00 H new ATOM 867 N LYS A 57 3.490 8.105 3.881 1.00 0.00 N ATOM 868 CA LYS A 57 2.988 9.201 4.695 1.00 0.00 C ATOM 869 C LYS A 57 2.974 8.817 6.173 1.00 0.00 C ATOM 870 O LYS A 57 3.056 7.638 6.518 1.00 0.00 O ATOM 871 CB LYS A 57 1.583 9.579 4.233 1.00 0.00 C ATOM 872 CG LYS A 57 1.534 10.852 3.403 1.00 0.00 C ATOM 873 CD LYS A 57 2.023 12.055 4.193 1.00 0.00 C ATOM 874 CE LYS A 57 2.816 13.011 3.317 1.00 0.00 C ATOM 875 NZ LYS A 57 2.032 13.460 2.133 1.00 0.00 N ATOM 0 H LYS A 57 2.778 7.638 3.320 1.00 0.00 H new ATOM 0 HA LYS A 57 3.650 10.059 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.170 8.758 3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.943 9.701 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.147 10.729 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.512 11.028 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.170 12.578 4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.645 11.719 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.115 13.879 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.731 12.522 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.545 14.222 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.899 12.661 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.104 13.811 2.444 1.00 0.00 H new ATOM 889 N ARG A 58 2.870 9.818 7.041 1.00 0.00 N ATOM 890 CA ARG A 58 2.846 9.582 8.480 1.00 0.00 C ATOM 891 C ARG A 58 1.412 9.446 8.988 1.00 0.00 C ATOM 892 O ARG A 58 0.464 9.831 8.303 1.00 0.00 O ATOM 893 CB ARG A 58 3.554 10.721 9.217 1.00 0.00 C ATOM 894 CG ARG A 58 5.031 10.460 9.464 1.00 0.00 C ATOM 895 CD ARG A 58 5.857 10.707 8.212 1.00 0.00 C ATOM 896 NE ARG A 58 5.748 12.088 7.748 1.00 0.00 N ATOM 897 CZ ARG A 58 6.058 12.482 6.515 1.00 0.00 C ATOM 898 NH1 ARG A 58 6.496 11.605 5.620 1.00 0.00 N ATOM 899 NH2 ARG A 58 5.928 13.757 6.175 1.00 0.00 N ATOM 0 H ARG A 58 2.801 10.800 6.773 1.00 0.00 H new ATOM 0 HA ARG A 58 3.372 8.648 8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.447 11.639 8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.058 10.888 10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.386 11.104 10.268 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.169 9.431 9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.902 10.474 8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.528 10.032 7.422 1.00 0.00 H new ATOM 0 HE ARG A 58 5.415 12.791 8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.597 10.623 5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.732 11.913 4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.591 14.435 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.165 14.060 5.230 1.00 0.00 H new ATOM 913 N PRO A 59 1.234 8.896 10.202 1.00 0.00 N ATOM 914 CA PRO A 59 -0.093 8.713 10.800 1.00 0.00 C ATOM 915 C PRO A 59 -0.779 10.043 11.095 1.00 0.00 C ATOM 916 O PRO A 59 -0.156 10.975 11.602 1.00 0.00 O ATOM 917 CB PRO A 59 0.196 7.959 12.102 1.00 0.00 C ATOM 918 CG PRO A 59 1.621 8.263 12.413 1.00 0.00 C ATOM 919 CD PRO A 59 2.310 8.413 11.086 1.00 0.00 C ATOM 0 HA PRO A 59 -0.770 8.182 10.131 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.463 8.290 12.905 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.038 6.887 11.981 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.706 9.176 13.002 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.072 7.462 12.999 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.136 9.122 11.139 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.723 7.467 10.737 1.00 0.00 H new ATOM 927 N GLY A 60 -2.066 10.122 10.771 1.00 0.00 N ATOM 928 CA GLY A 60 -2.817 11.342 11.005 1.00 0.00 C ATOM 929 C GLY A 60 -2.823 12.265 9.800 1.00 0.00 C ATOM 930 O GLY A 60 -3.728 13.083 9.642 1.00 0.00 O ATOM 0 H GLY A 60 -2.602 9.363 10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.844 11.087 11.268 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.391 11.868 11.859 1.00 0.00 H new ATOM 934 N ALA A 61 -1.809 12.134 8.948 1.00 0.00 N ATOM 935 CA ALA A 61 -1.699 12.962 7.753 1.00 0.00 C ATOM 936 C ALA A 61 -2.942 12.840 6.878 1.00 0.00 C ATOM 937 O ALA A 61 -3.495 11.753 6.716 1.00 0.00 O ATOM 938 CB ALA A 61 -0.456 12.583 6.962 1.00 0.00 C ATOM 0 H ALA A 61 -1.052 11.461 9.065 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.614 14.001 8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.386 13.209 6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.429 12.732 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.519 11.536 6.665 1.00 0.00 H new ATOM 944 N VAL A 62 -3.372 13.963 6.312 1.00 0.00 N ATOM 945 CA VAL A 62 -4.546 13.982 5.449 1.00 0.00 C ATOM 946 C VAL A 62 -4.208 13.462 4.056 1.00 0.00 C ATOM 947 O VAL A 62 -3.275 13.942 3.413 1.00 0.00 O ATOM 948 CB VAL A 62 -5.132 15.401 5.326 1.00 0.00 C ATOM 949 CG1 VAL A 62 -6.464 15.368 4.592 1.00 0.00 C ATOM 950 CG2 VAL A 62 -5.287 16.035 6.700 1.00 0.00 C ATOM 0 H VAL A 62 -2.925 14.871 6.436 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.289 13.331 5.910 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.440 16.011 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.862 16.380 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.319 14.958 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.167 14.742 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.702 17.037 6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.957 15.427 7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.313 16.096 7.185 1.00 0.00 H new ATOM 960 N LEU A 63 -4.971 12.476 3.595 1.00 0.00 N ATOM 961 CA LEU A 63 -4.749 11.891 2.278 1.00 0.00 C ATOM 962 C LEU A 63 -5.415 12.729 1.192 1.00 0.00 C ATOM 963 O LEU A 63 -6.517 13.244 1.379 1.00 0.00 O ATOM 964 CB LEU A 63 -5.286 10.459 2.236 1.00 0.00 C ATOM 965 CG LEU A 63 -5.025 9.632 3.495 1.00 0.00 C ATOM 966 CD1 LEU A 63 -5.675 8.262 3.377 1.00 0.00 C ATOM 967 CD2 LEU A 63 -3.530 9.495 3.742 1.00 0.00 C ATOM 0 H LEU A 63 -5.748 12.066 4.114 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.675 11.874 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.361 10.496 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.841 9.945 1.384 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.468 10.150 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.479 7.687 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.751 8.380 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.262 7.736 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.363 8.903 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.064 8.999 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.090 10.484 3.871 1.00 0.00 H new ATOM 979 N GLU A 64 -4.739 12.862 0.055 1.00 0.00 N ATOM 980 CA GLU A 64 -5.262 13.636 -1.061 1.00 0.00 C ATOM 981 C GLU A 64 -5.394 12.761 -2.306 1.00 0.00 C ATOM 982 O GLU A 64 -4.705 11.750 -2.443 1.00 0.00 O ATOM 983 CB GLU A 64 -4.350 14.837 -1.339 1.00 0.00 C ATOM 984 CG GLU A 64 -4.407 15.345 -2.771 1.00 0.00 C ATOM 985 CD GLU A 64 -3.735 16.694 -2.940 1.00 0.00 C ATOM 986 OE1 GLU A 64 -3.694 17.464 -1.957 1.00 0.00 O ATOM 987 OE2 GLU A 64 -3.249 16.980 -4.054 1.00 0.00 O ATOM 0 H GLU A 64 -3.825 12.442 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.254 14.004 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.623 15.650 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.322 14.560 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.928 14.620 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.448 15.420 -3.084 1.00 0.00 H new ATOM 994 N ALA A 65 -6.284 13.159 -3.209 1.00 0.00 N ATOM 995 CA ALA A 65 -6.507 12.414 -4.441 1.00 0.00 C ATOM 996 C ALA A 65 -5.243 12.372 -5.294 1.00 0.00 C ATOM 997 O ALA A 65 -4.828 13.386 -5.855 1.00 0.00 O ATOM 998 CB ALA A 65 -7.656 13.027 -5.227 1.00 0.00 C ATOM 0 H ALA A 65 -6.862 13.993 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.768 11.390 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.812 12.461 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.564 12.999 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.416 14.061 -5.475 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.636 11.194 -5.386 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.426 11.044 -6.173 1.00 0.00 C ATOM 1006 C GLY A 66 -2.177 10.946 -5.315 1.00 0.00 C ATOM 1007 O GLY A 66 -1.141 10.465 -5.772 1.00 0.00 O ATOM 0 H GLY A 66 -4.960 10.341 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.508 10.150 -6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.331 11.892 -6.851 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.274 11.405 -4.071 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.142 11.365 -3.153 1.00 0.00 C ATOM 1013 C CYS A 67 -0.738 9.926 -2.848 1.00 0.00 C ATOM 1014 O CYS A 67 -1.579 9.027 -2.825 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.485 12.097 -1.854 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.049 12.765 -0.981 1.00 0.00 S ATOM 0 H CYS A 67 -3.124 11.808 -3.676 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.301 11.865 -3.633 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.171 12.913 -2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.013 11.411 -1.191 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.441 13.367 0.102 1.00 0.00 H new ATOM 1022 N VAL A 68 0.553 9.716 -2.616 1.00 0.00 N ATOM 1023 CA VAL A 68 1.069 8.387 -2.314 1.00 0.00 C ATOM 1024 C VAL A 68 0.862 8.036 -0.845 1.00 0.00 C ATOM 1025 O VAL A 68 1.579 8.524 0.029 1.00 0.00 O ATOM 1026 CB VAL A 68 2.567 8.277 -2.651 1.00 0.00 C ATOM 1027 CG1 VAL A 68 3.043 6.839 -2.518 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.837 8.808 -4.051 1.00 0.00 C ATOM 0 H VAL A 68 1.261 10.450 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 68 0.512 7.684 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 68 3.126 8.885 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.104 6.783 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.886 6.497 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.480 6.205 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.901 8.723 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.267 8.228 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.537 9.854 -4.107 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.124 7.186 -0.581 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.431 6.767 0.781 1.00 0.00 C ATOM 1040 C VAL A 69 0.485 5.635 1.234 1.00 0.00 C ATOM 1041 O VAL A 69 0.694 5.438 2.432 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.896 6.307 0.916 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -2.833 7.504 0.928 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.263 5.345 -0.204 1.00 0.00 C ATOM 0 H VAL A 69 -0.725 6.773 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.270 7.638 1.417 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.004 5.780 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.863 7.159 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.587 8.150 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.722 8.062 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.301 5.033 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.137 5.842 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.614 4.470 -0.160 1.00 0.00 H new ATOM 1054 N ALA A 70 1.028 4.888 0.277 1.00 0.00 N ATOM 1055 CA ALA A 70 1.914 3.777 0.594 1.00 0.00 C ATOM 1056 C ALA A 70 2.694 3.318 -0.633 1.00 0.00 C ATOM 1057 O ALA A 70 2.753 4.018 -1.644 1.00 0.00 O ATOM 1058 CB ALA A 70 1.109 2.621 1.166 1.00 0.00 C ATOM 0 H ALA A 70 0.870 5.033 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 70 2.634 4.120 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.778 1.793 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.601 2.946 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.371 2.294 0.434 1.00 0.00 H new ATOM 1064 N ARG A 71 3.291 2.134 -0.535 1.00 0.00 N ATOM 1065 CA ARG A 71 4.067 1.570 -1.630 1.00 0.00 C ATOM 1066 C ARG A 71 3.797 0.076 -1.760 1.00 0.00 C ATOM 1067 O ARG A 71 3.027 -0.493 -0.986 1.00 0.00 O ATOM 1068 CB ARG A 71 5.561 1.815 -1.405 1.00 0.00 C ATOM 1069 CG ARG A 71 6.083 3.069 -2.087 1.00 0.00 C ATOM 1070 CD ARG A 71 6.429 2.809 -3.544 1.00 0.00 C ATOM 1071 NE ARG A 71 7.856 2.562 -3.733 1.00 0.00 N ATOM 1072 CZ ARG A 71 8.802 3.473 -3.511 1.00 0.00 C ATOM 1073 NH1 ARG A 71 8.476 4.690 -3.093 1.00 0.00 N ATOM 1074 NH2 ARG A 71 10.076 3.166 -3.708 1.00 0.00 N ATOM 0 H ARG A 71 3.251 1.545 0.297 1.00 0.00 H new ATOM 0 HA ARG A 71 3.765 2.062 -2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.751 1.888 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.121 0.954 -1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.332 3.857 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.967 3.429 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.862 1.950 -3.903 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.127 3.665 -4.147 1.00 0.00 H new ATOM 0 HE ARG A 71 8.145 1.638 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.497 4.931 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.205 5.384 -2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.332 2.232 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.801 3.863 -3.538 1.00 0.00 H new ATOM 1088 N LEU A 72 4.426 -0.557 -2.744 1.00 0.00 N ATOM 1089 CA LEU A 72 4.242 -1.983 -2.968 1.00 0.00 C ATOM 1090 C LEU A 72 5.548 -2.647 -3.394 1.00 0.00 C ATOM 1091 O LEU A 72 6.484 -1.978 -3.834 1.00 0.00 O ATOM 1092 CB LEU A 72 3.169 -2.210 -4.034 1.00 0.00 C ATOM 1093 CG LEU A 72 1.890 -2.880 -3.531 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.199 -4.252 -2.950 1.00 0.00 C ATOM 1095 CD2 LEU A 72 1.200 -2.003 -2.497 1.00 0.00 C ATOM 0 H LEU A 72 5.066 -0.105 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 72 3.921 -2.435 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.908 -1.248 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.593 -2.822 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 72 1.214 -3.010 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.277 -4.714 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.648 -4.880 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.894 -4.146 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.292 -2.496 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.870 -1.840 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.943 -1.044 -2.946 1.00 0.00 H new ATOM 1107 N GLU A 73 5.599 -3.968 -3.263 1.00 0.00 N ATOM 1108 CA GLU A 73 6.785 -4.731 -3.636 1.00 0.00 C ATOM 1109 C GLU A 73 6.389 -6.063 -4.264 1.00 0.00 C ATOM 1110 O GLU A 73 6.274 -7.076 -3.575 1.00 0.00 O ATOM 1111 CB GLU A 73 7.669 -4.972 -2.411 1.00 0.00 C ATOM 1112 CG GLU A 73 9.157 -4.939 -2.719 1.00 0.00 C ATOM 1113 CD GLU A 73 9.978 -5.728 -1.718 1.00 0.00 C ATOM 1114 OE1 GLU A 73 9.497 -5.928 -0.583 1.00 0.00 O ATOM 1115 OE2 GLU A 73 11.102 -6.146 -2.069 1.00 0.00 O ATOM 0 H GLU A 73 4.831 -4.534 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 73 7.348 -4.153 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.445 -4.217 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.418 -5.940 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.326 -5.340 -3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.499 -3.904 -2.729 1.00 0.00 H new ATOM 1122 N LEU A 74 6.176 -6.051 -5.576 1.00 0.00 N ATOM 1123 CA LEU A 74 5.786 -7.256 -6.298 1.00 0.00 C ATOM 1124 C LEU A 74 6.863 -8.330 -6.202 1.00 0.00 C ATOM 1125 O LEU A 74 7.944 -8.195 -6.776 1.00 0.00 O ATOM 1126 CB LEU A 74 5.507 -6.928 -7.766 1.00 0.00 C ATOM 1127 CG LEU A 74 4.356 -5.949 -8.004 1.00 0.00 C ATOM 1128 CD1 LEU A 74 4.259 -5.590 -9.479 1.00 0.00 C ATOM 1129 CD2 LEU A 74 3.045 -6.540 -7.509 1.00 0.00 C ATOM 0 H LEU A 74 6.267 -5.220 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 74 4.877 -7.642 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.413 -6.514 -8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.289 -7.856 -8.295 1.00 0.00 H new ATOM 0 HG LEU A 74 4.555 -5.037 -7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.435 -4.893 -9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.191 -5.126 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.082 -6.493 -10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.236 -5.831 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.838 -7.467 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.119 -6.747 -6.441 1.00 0.00 H new ATOM 1141 N ASP A 75 6.556 -9.399 -5.476 1.00 0.00 N ATOM 1142 CA ASP A 75 7.491 -10.505 -5.304 1.00 0.00 C ATOM 1143 C ASP A 75 7.583 -11.337 -6.578 1.00 0.00 C ATOM 1144 O ASP A 75 7.196 -12.506 -6.600 1.00 0.00 O ATOM 1145 CB ASP A 75 7.060 -11.387 -4.130 1.00 0.00 C ATOM 1146 CG ASP A 75 8.107 -12.421 -3.769 1.00 0.00 C ATOM 1147 OD1 ASP A 75 9.301 -12.060 -3.706 1.00 0.00 O ATOM 1148 OD2 ASP A 75 7.734 -13.593 -3.550 1.00 0.00 O ATOM 0 H ASP A 75 5.665 -9.523 -4.996 1.00 0.00 H new ATOM 0 HA ASP A 75 8.476 -10.090 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.859 -10.759 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.127 -11.891 -4.381 1.00 0.00 H new ATOM 1153 N ASP A 76 8.094 -10.726 -7.640 1.00 0.00 N ATOM 1154 CA ASP A 76 8.233 -11.410 -8.921 1.00 0.00 C ATOM 1155 C ASP A 76 9.415 -12.374 -8.899 1.00 0.00 C ATOM 1156 O ASP A 76 10.570 -11.955 -8.824 1.00 0.00 O ATOM 1157 CB ASP A 76 8.411 -10.392 -10.049 1.00 0.00 C ATOM 1158 CG ASP A 76 9.530 -9.408 -9.769 1.00 0.00 C ATOM 1159 OD1 ASP A 76 9.375 -8.580 -8.847 1.00 0.00 O ATOM 1160 OD2 ASP A 76 10.560 -9.464 -10.472 1.00 0.00 O ATOM 0 H ASP A 76 8.419 -9.759 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 76 7.324 -11.984 -9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.619 -10.919 -10.980 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.478 -9.846 -10.193 1.00 0.00 H new ATOM 1165 N LEU A 77 9.116 -13.667 -8.966 1.00 0.00 N ATOM 1166 CA LEU A 77 10.151 -14.694 -8.954 1.00 0.00 C ATOM 1167 C LEU A 77 10.680 -14.949 -10.361 1.00 0.00 C ATOM 1168 O LEU A 77 10.625 -16.071 -10.867 1.00 0.00 O ATOM 1169 CB LEU A 77 9.601 -15.990 -8.359 1.00 0.00 C ATOM 1170 CG LEU A 77 10.585 -16.774 -7.490 1.00 0.00 C ATOM 1171 CD1 LEU A 77 10.757 -16.100 -6.137 1.00 0.00 C ATOM 1172 CD2 LEU A 77 10.115 -18.210 -7.316 1.00 0.00 C ATOM 0 H LEU A 77 8.164 -14.029 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 77 10.976 -14.339 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.722 -15.752 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.268 -16.633 -9.174 1.00 0.00 H new ATOM 0 HG LEU A 77 11.553 -16.787 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.461 -16.672 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.139 -15.089 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.794 -16.055 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.827 -18.753 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.136 -18.217 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.044 -18.690 -8.292 1.00 0.00 H new ATOM 1184 N GLU A 78 11.192 -13.899 -10.988 1.00 0.00 N ATOM 1185 CA GLU A 78 11.733 -14.002 -12.338 1.00 0.00 C ATOM 1186 C GLU A 78 13.071 -14.733 -12.335 1.00 0.00 C ATOM 1187 O GLU A 78 13.437 -15.383 -13.315 1.00 0.00 O ATOM 1188 CB GLU A 78 11.901 -12.610 -12.950 1.00 0.00 C ATOM 1189 CG GLU A 78 12.858 -11.717 -12.177 1.00 0.00 C ATOM 1190 CD GLU A 78 13.045 -10.361 -12.829 1.00 0.00 C ATOM 1191 OE1 GLU A 78 13.272 -10.319 -14.056 1.00 0.00 O ATOM 1192 OE2 GLU A 78 12.965 -9.342 -12.112 1.00 0.00 O ATOM 0 H GLU A 78 11.245 -12.964 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 78 11.029 -14.575 -12.941 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.260 -12.713 -13.974 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.926 -12.125 -13.002 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.482 -11.580 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.825 -12.213 -12.094 1.00 0.00 H new ATOM 1199 N HIS A 79 13.798 -14.624 -11.228 1.00 0.00 N ATOM 1200 CA HIS A 79 15.095 -15.276 -11.098 1.00 0.00 C ATOM 1201 C HIS A 79 14.936 -16.791 -11.010 1.00 0.00 C ATOM 1202 O HIS A 79 13.823 -17.312 -11.069 1.00 0.00 O ATOM 1203 CB HIS A 79 15.826 -14.756 -9.859 1.00 0.00 C ATOM 1204 CG HIS A 79 17.313 -14.692 -10.025 1.00 0.00 C ATOM 1205 ND1 HIS A 79 18.191 -15.386 -9.218 1.00 0.00 N ATOM 1206 CD2 HIS A 79 18.078 -14.012 -10.911 1.00 0.00 C ATOM 1207 CE1 HIS A 79 19.430 -15.135 -9.601 1.00 0.00 C ATOM 1208 NE2 HIS A 79 19.389 -14.305 -10.626 1.00 0.00 N ATOM 0 H HIS A 79 13.510 -14.090 -10.408 1.00 0.00 H new ATOM 0 HA HIS A 79 15.683 -15.042 -11.985 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.452 -13.761 -9.617 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.590 -15.399 -9.011 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.723 -13.360 -11.696 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.325 -15.540 -9.152 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.200 -13.940 -11.126 1.00 0.00 H new ATOM 1217 N HIS A 80 16.057 -17.492 -10.869 1.00 0.00 N ATOM 1218 CA HIS A 80 16.042 -18.947 -10.774 1.00 0.00 C ATOM 1219 C HIS A 80 16.472 -19.405 -9.384 1.00 0.00 C ATOM 1220 O HIS A 80 17.255 -18.733 -8.713 1.00 0.00 O ATOM 1221 CB HIS A 80 16.961 -19.558 -11.832 1.00 0.00 C ATOM 1222 CG HIS A 80 16.619 -19.147 -13.231 1.00 0.00 C ATOM 1223 ND1 HIS A 80 17.495 -18.469 -14.053 1.00 0.00 N ATOM 1224 CD2 HIS A 80 15.488 -19.324 -13.955 1.00 0.00 C ATOM 1225 CE1 HIS A 80 16.917 -18.245 -15.220 1.00 0.00 C ATOM 1226 NE2 HIS A 80 15.700 -18.755 -15.186 1.00 0.00 N ATOM 0 H HIS A 80 16.987 -17.076 -10.818 1.00 0.00 H new ATOM 0 HA HIS A 80 15.022 -19.287 -10.950 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.990 -19.269 -11.618 1.00 0.00 H new ATOM 0 HB3 HIS A 80 16.913 -20.645 -11.759 1.00 0.00 H new ATOM 0 HD2 HIS A 80 14.587 -19.820 -13.625 1.00 0.00 H new ATOM 0 HE1 HIS A 80 17.364 -17.732 -16.059 1.00 0.00 H new ATOM 0 HE2 HIS A 80 15.026 -18.730 -15.951 1.00 0.00 H new ATOM 1235 N HIS A 81 15.956 -20.554 -8.959 1.00 0.00 N ATOM 1236 CA HIS A 81 16.288 -21.103 -7.649 1.00 0.00 C ATOM 1237 C HIS A 81 16.728 -22.559 -7.766 1.00 0.00 C ATOM 1238 O HIS A 81 16.861 -23.091 -8.867 1.00 0.00 O ATOM 1239 CB HIS A 81 15.087 -20.994 -6.708 1.00 0.00 C ATOM 1240 CG HIS A 81 13.897 -21.780 -7.163 1.00 0.00 C ATOM 1241 ND1 HIS A 81 13.736 -23.124 -6.898 1.00 0.00 N ATOM 1242 CD2 HIS A 81 12.803 -21.405 -7.869 1.00 0.00 C ATOM 1243 CE1 HIS A 81 12.597 -23.541 -7.421 1.00 0.00 C ATOM 1244 NE2 HIS A 81 12.012 -22.518 -8.015 1.00 0.00 N ATOM 0 H HIS A 81 15.307 -21.123 -9.502 1.00 0.00 H new ATOM 0 HA HIS A 81 17.115 -20.524 -7.238 1.00 0.00 H new ATOM 0 HB2 HIS A 81 15.381 -21.337 -5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 81 14.805 -19.946 -6.612 1.00 0.00 H new ATOM 0 HD2 HIS A 81 12.592 -20.415 -8.247 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.210 -24.548 -7.371 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.117 -22.549 -8.504 1.00 0.00 H new ATOM 1253 N HIS A 82 16.953 -23.197 -6.622 1.00 0.00 N ATOM 1254 CA HIS A 82 17.378 -24.591 -6.596 1.00 0.00 C ATOM 1255 C HIS A 82 16.606 -25.377 -5.541 1.00 0.00 C ATOM 1256 O HIS A 82 16.173 -24.821 -4.531 1.00 0.00 O ATOM 1257 CB HIS A 82 18.880 -24.683 -6.319 1.00 0.00 C ATOM 1258 CG HIS A 82 19.699 -23.743 -7.147 1.00 0.00 C ATOM 1259 ND1 HIS A 82 20.032 -22.470 -6.734 1.00 0.00 N ATOM 1260 CD2 HIS A 82 20.255 -23.895 -8.373 1.00 0.00 C ATOM 1261 CE1 HIS A 82 20.756 -21.880 -7.669 1.00 0.00 C ATOM 1262 NE2 HIS A 82 20.906 -22.724 -8.673 1.00 0.00 N ATOM 0 H HIS A 82 16.848 -22.771 -5.701 1.00 0.00 H new ATOM 0 HA HIS A 82 17.168 -25.026 -7.573 1.00 0.00 H new ATOM 0 HB2 HIS A 82 19.060 -24.476 -5.264 1.00 0.00 H new ATOM 0 HB3 HIS A 82 19.214 -25.704 -6.505 1.00 0.00 H new ATOM 0 HD2 HIS A 82 20.197 -24.774 -8.998 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.157 -20.878 -7.620 1.00 0.00 H new ATOM 0 HE2 HIS A 82 21.422 -22.536 -9.533 1.00 0.00 H new ATOM 1271 N HIS A 83 16.437 -26.673 -5.781 1.00 0.00 N ATOM 1272 CA HIS A 83 15.717 -27.536 -4.851 1.00 0.00 C ATOM 1273 C HIS A 83 16.682 -28.277 -3.931 1.00 0.00 C ATOM 1274 O HIS A 83 16.313 -28.692 -2.833 1.00 0.00 O ATOM 1275 CB HIS A 83 14.854 -28.539 -5.618 1.00 0.00 C ATOM 1276 CG HIS A 83 13.930 -29.327 -4.742 1.00 0.00 C ATOM 1277 ND1 HIS A 83 14.276 -30.537 -4.179 1.00 0.00 N ATOM 1278 CD2 HIS A 83 12.665 -29.071 -4.331 1.00 0.00 C ATOM 1279 CE1 HIS A 83 13.265 -30.992 -3.461 1.00 0.00 C ATOM 1280 NE2 HIS A 83 12.276 -30.121 -3.537 1.00 0.00 N ATOM 0 H HIS A 83 16.789 -27.149 -6.612 1.00 0.00 H new ATOM 0 HA HIS A 83 15.073 -26.906 -4.237 1.00 0.00 H new ATOM 0 HB2 HIS A 83 14.266 -28.004 -6.364 1.00 0.00 H new ATOM 0 HB3 HIS A 83 15.504 -29.227 -6.158 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.073 -28.203 -4.581 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.250 -31.919 -2.906 1.00 0.00 H new ATOM 0 HE2 HIS A 83 11.369 -30.213 -3.080 1.00 0.00 H new ATOM 1289 N HIS A 84 17.920 -28.439 -4.386 1.00 0.00 N ATOM 1290 CA HIS A 84 18.938 -29.130 -3.603 1.00 0.00 C ATOM 1291 C HIS A 84 19.876 -28.133 -2.929 1.00 0.00 C ATOM 1292 O HIS A 84 20.398 -27.244 -3.634 1.00 0.00 O ATOM 1293 CB HIS A 84 19.739 -30.079 -4.495 1.00 0.00 C ATOM 1294 CG HIS A 84 20.444 -31.161 -3.737 1.00 0.00 C ATOM 1295 ND1 HIS A 84 19.819 -32.316 -3.318 1.00 0.00 N ATOM 1296 CD2 HIS A 84 21.730 -31.259 -3.323 1.00 0.00 C ATOM 1297 CE1 HIS A 84 20.689 -33.078 -2.678 1.00 0.00 C ATOM 1298 NE2 HIS A 84 21.855 -32.460 -2.668 1.00 0.00 N ATOM 1299 OXT HIS A 84 20.079 -28.250 -1.702 1.00 0.00 O ATOM 0 H HIS A 84 18.243 -28.101 -5.293 1.00 0.00 H new ATOM 0 HA HIS A 84 18.435 -29.708 -2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 84 19.067 -30.535 -5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 84 20.474 -29.503 -5.057 1.00 0.00 H new ATOM 0 HD2 HIS A 84 22.511 -30.529 -3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 84 20.481 -34.042 -2.238 1.00 0.00 H new ATOM 0 HE2 HIS A 84 22.711 -32.817 -2.243 1.00 0.00 H new TER 1308 HIS A 84