USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 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 -163:sc=-0.00285 (180deg=-0.335) USER MOD Single : A 1 MET N :NH3+ -125:sc= 2.19 (180deg=0.564) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0863 USER MOD Single : A 6 ASN : amide:sc= 0.582 K(o=0.58,f=-4.9!) USER MOD Single : A 9 GLN : amide:sc= -0.292 K(o=-0.29,f=-3.4!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 140:sc= 0 USER MOD Single : A 16 SER OG : rot 90:sc= -0.195 USER MOD Single : A 21 MET CE :methyl -119:sc= -0.392 (180deg=-1.66) USER MOD Single : A 22 THR OG1 : rot 69:sc= 1.28 USER MOD Single : A 26 CYS SG : rot 32:sc= 0.329 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.516 USER MOD Single : A 30 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.154 K(o=0.15,f=-2.8!) USER MOD Single : A 37 TYR OH : rot 71:sc= 0.0529 USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0564) USER MOD Single : A 48 THR OG1 : rot 62:sc= 1.17 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 47:sc= 0.381 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=-0.042) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.177 10.379 -0.434 1.00 0.00 N ATOM 2 CA MET A 1 7.554 9.771 -1.728 1.00 0.00 C ATOM 3 C MET A 1 6.347 9.713 -2.692 1.00 0.00 C ATOM 4 O MET A 1 5.215 9.474 -2.259 1.00 0.00 O ATOM 5 CB MET A 1 8.140 8.353 -1.496 1.00 0.00 C ATOM 6 CG MET A 1 7.161 7.306 -0.927 1.00 0.00 C ATOM 7 SD MET A 1 6.682 7.634 0.785 1.00 0.00 S ATOM 8 CE MET A 1 8.203 7.240 1.651 1.00 0.00 C ATOM 0 H1 MET A 1 7.808 11.180 -0.230 1.00 0.00 H new ATOM 0 H2 MET A 1 6.194 10.716 -0.482 1.00 0.00 H new ATOM 0 H3 MET A 1 7.264 9.669 0.321 1.00 0.00 H new ATOM 0 HA MET A 1 8.316 10.397 -2.192 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.528 7.982 -2.444 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.987 8.438 -0.816 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.266 7.279 -1.549 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.620 6.319 -0.986 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.992 7.099 2.711 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.628 6.324 1.241 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.914 8.057 1.528 1.00 0.00 H new ATOM 20 N LEU A 2 6.588 9.942 -3.993 1.00 0.00 N ATOM 21 CA LEU A 2 5.561 9.781 -5.027 1.00 0.00 C ATOM 22 C LEU A 2 5.487 8.283 -5.391 1.00 0.00 C ATOM 23 O LEU A 2 6.441 7.718 -5.917 1.00 0.00 O ATOM 24 CB LEU A 2 5.876 10.681 -6.262 1.00 0.00 C ATOM 25 CG LEU A 2 4.754 10.828 -7.360 1.00 0.00 C ATOM 26 CD1 LEU A 2 4.995 12.078 -8.230 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.644 9.582 -8.270 1.00 0.00 C ATOM 0 H LEU A 2 7.494 10.242 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 2 4.587 10.105 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.123 11.678 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.770 10.288 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 2 3.812 10.932 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.208 12.157 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.986 12.967 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.962 11.995 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.856 9.738 -9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.593 9.420 -8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.405 8.708 -7.663 1.00 0.00 H new ATOM 39 N VAL A 3 4.347 7.672 -5.060 1.00 0.00 N ATOM 40 CA VAL A 3 4.052 6.241 -5.288 1.00 0.00 C ATOM 41 C VAL A 3 3.003 6.077 -6.400 1.00 0.00 C ATOM 42 O VAL A 3 2.556 7.067 -6.987 1.00 0.00 O ATOM 43 CB VAL A 3 3.535 5.589 -3.951 1.00 0.00 C ATOM 44 CG1 VAL A 3 4.583 5.745 -2.842 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.165 6.155 -3.496 1.00 0.00 C ATOM 0 H VAL A 3 3.576 8.167 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 3 4.966 5.737 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 3 3.381 4.529 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.212 5.290 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.508 5.253 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.776 6.804 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.860 5.668 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.252 7.229 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.419 5.966 -4.268 1.00 0.00 H new ATOM 55 N THR A 4 2.636 4.821 -6.706 1.00 0.00 N ATOM 56 CA THR A 4 1.606 4.505 -7.702 1.00 0.00 C ATOM 57 C THR A 4 0.577 3.532 -7.095 1.00 0.00 C ATOM 58 O THR A 4 0.840 2.338 -6.960 1.00 0.00 O ATOM 59 CB THR A 4 2.262 3.909 -8.991 1.00 0.00 C ATOM 60 OG1 THR A 4 3.229 4.839 -9.515 1.00 0.00 O ATOM 61 CG2 THR A 4 1.239 3.595 -10.089 1.00 0.00 C ATOM 0 H THR A 4 3.048 3.997 -6.267 1.00 0.00 H new ATOM 0 HA THR A 4 1.086 5.419 -7.987 1.00 0.00 H new ATOM 0 HB THR A 4 2.736 2.972 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.640 4.464 -10.321 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.753 3.184 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.517 2.868 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.719 4.509 -10.374 1.00 0.00 H new ATOM 69 N ILE A 5 -0.589 4.073 -6.702 1.00 0.00 N ATOM 70 CA ILE A 5 -1.679 3.300 -6.087 1.00 0.00 C ATOM 71 C ILE A 5 -2.789 3.066 -7.135 1.00 0.00 C ATOM 72 O ILE A 5 -3.325 4.034 -7.692 1.00 0.00 O ATOM 73 CB ILE A 5 -2.248 4.043 -4.820 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.085 4.303 -3.804 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.404 3.228 -4.174 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.471 5.035 -2.535 1.00 0.00 C ATOM 0 H ILE A 5 -0.802 5.065 -6.803 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.293 2.337 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.665 5.004 -5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.647 3.344 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.307 4.876 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.781 3.761 -3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.209 3.102 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.033 2.249 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.590 5.161 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.878 6.014 -2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.223 4.458 -1.996 1.00 0.00 H new ATOM 88 N ASN A 6 -3.081 1.768 -7.418 1.00 0.00 N ATOM 89 CA ASN A 6 -4.109 1.320 -8.396 1.00 0.00 C ATOM 90 C ASN A 6 -3.794 1.798 -9.833 1.00 0.00 C ATOM 91 O ASN A 6 -4.703 1.984 -10.657 1.00 0.00 O ATOM 92 CB ASN A 6 -5.546 1.748 -7.951 1.00 0.00 C ATOM 93 CG ASN A 6 -6.034 1.059 -6.673 1.00 0.00 C ATOM 94 OD1 ASN A 6 -5.254 0.752 -5.772 1.00 0.00 O ATOM 95 ND2 ASN A 6 -7.335 0.817 -6.572 1.00 0.00 N ATOM 0 H ASN A 6 -2.600 0.991 -6.965 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.079 0.231 -8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.561 2.827 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.245 1.530 -8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.707 0.368 -5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.963 1.080 -7.331 1.00 0.00 H new ATOM 102 N GLY A 7 -2.488 1.939 -10.140 1.00 0.00 N ATOM 103 CA GLY A 7 -2.028 2.370 -11.469 1.00 0.00 C ATOM 104 C GLY A 7 -1.997 3.888 -11.643 1.00 0.00 C ATOM 105 O GLY A 7 -1.584 4.386 -12.697 1.00 0.00 O ATOM 0 H GLY A 7 -1.733 1.759 -9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.029 1.972 -11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.681 1.939 -12.228 1.00 0.00 H new ATOM 109 N GLU A 8 -2.418 4.625 -10.596 1.00 0.00 N ATOM 110 CA GLU A 8 -2.492 6.097 -10.589 1.00 0.00 C ATOM 111 C GLU A 8 -1.460 6.628 -9.577 1.00 0.00 C ATOM 112 O GLU A 8 -1.383 6.134 -8.453 1.00 0.00 O ATOM 113 CB GLU A 8 -3.931 6.543 -10.206 1.00 0.00 C ATOM 114 CG GLU A 8 -5.031 5.929 -11.092 1.00 0.00 C ATOM 115 CD GLU A 8 -6.442 6.352 -10.684 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.985 5.779 -9.716 1.00 0.00 O ATOM 117 OE2 GLU A 8 -7.010 7.273 -11.304 1.00 0.00 O ATOM 0 H GLU A 8 -2.721 4.205 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.266 6.500 -11.576 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.121 6.271 -9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.993 7.630 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.857 6.219 -12.128 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.958 4.842 -11.049 1.00 0.00 H new ATOM 124 N GLN A 9 -0.665 7.626 -9.991 1.00 0.00 N ATOM 125 CA GLN A 9 0.437 8.168 -9.180 1.00 0.00 C ATOM 126 C GLN A 9 -0.091 9.159 -8.118 1.00 0.00 C ATOM 127 O GLN A 9 -0.738 10.146 -8.466 1.00 0.00 O ATOM 128 CB GLN A 9 1.500 8.864 -10.080 1.00 0.00 C ATOM 129 CG GLN A 9 2.313 7.916 -10.997 1.00 0.00 C ATOM 130 CD GLN A 9 1.520 7.347 -12.179 1.00 0.00 C ATOM 131 OE1 GLN A 9 0.915 6.274 -12.100 1.00 0.00 O ATOM 132 NE2 GLN A 9 1.511 8.068 -13.287 1.00 0.00 N ATOM 0 H GLN A 9 -0.768 8.081 -10.898 1.00 0.00 H new ATOM 0 HA GLN A 9 0.911 7.331 -8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.997 9.603 -10.704 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.195 9.408 -9.440 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.178 8.456 -11.382 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.694 7.089 -10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.020 8.951 -13.325 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.995 7.741 -14.104 1.00 0.00 H new ATOM 141 N ARG A 10 0.190 8.869 -6.832 1.00 0.00 N ATOM 142 CA ARG A 10 -0.127 9.757 -5.681 1.00 0.00 C ATOM 143 C ARG A 10 1.143 9.943 -4.862 1.00 0.00 C ATOM 144 O ARG A 10 1.927 9.021 -4.754 1.00 0.00 O ATOM 145 CB ARG A 10 -1.234 9.185 -4.732 1.00 0.00 C ATOM 146 CG ARG A 10 -2.649 9.103 -5.342 1.00 0.00 C ATOM 147 CD ARG A 10 -2.853 7.882 -6.243 1.00 0.00 C ATOM 148 NE ARG A 10 -4.099 7.968 -7.015 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.239 7.324 -6.750 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.353 6.499 -5.713 1.00 0.00 N ATOM 151 NH2 ARG A 10 -6.279 7.514 -7.541 1.00 0.00 N ATOM 0 H ARG A 10 0.649 8.002 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.506 10.692 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.935 8.186 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.278 9.805 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.383 9.078 -4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.841 10.007 -5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.009 7.791 -6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.867 6.979 -5.632 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.094 8.578 -7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.557 6.344 -5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.237 6.021 -5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.204 8.144 -8.339 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.157 7.030 -7.354 1.00 0.00 H new ATOM 165 N GLU A 11 1.327 11.123 -4.271 1.00 0.00 N ATOM 166 CA GLU A 11 2.439 11.370 -3.336 1.00 0.00 C ATOM 167 C GLU A 11 1.965 11.107 -1.899 1.00 0.00 C ATOM 168 O GLU A 11 1.040 11.768 -1.419 1.00 0.00 O ATOM 169 CB GLU A 11 2.959 12.822 -3.462 1.00 0.00 C ATOM 170 CG GLU A 11 4.153 13.139 -2.525 1.00 0.00 C ATOM 171 CD GLU A 11 4.582 14.607 -2.570 1.00 0.00 C ATOM 172 OE1 GLU A 11 3.973 15.432 -1.861 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.527 14.948 -3.305 1.00 0.00 O ATOM 0 H GLU A 11 0.721 11.930 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 11 3.258 10.695 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.260 13.003 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.143 13.511 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.883 12.877 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.000 12.511 -2.801 1.00 0.00 H new ATOM 180 N VAL A 12 2.583 10.119 -1.236 1.00 0.00 N ATOM 181 CA VAL A 12 2.340 9.809 0.186 1.00 0.00 C ATOM 182 C VAL A 12 3.608 10.105 1.015 1.00 0.00 C ATOM 183 O VAL A 12 4.655 10.457 0.458 1.00 0.00 O ATOM 184 CB VAL A 12 1.882 8.310 0.376 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.639 8.000 -0.492 1.00 0.00 C ATOM 186 CG2 VAL A 12 3.024 7.304 0.087 1.00 0.00 C ATOM 0 H VAL A 12 3.272 9.506 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 12 1.530 10.446 0.542 1.00 0.00 H new ATOM 0 HB VAL A 12 1.611 8.190 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.342 6.962 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.181 8.657 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.879 8.163 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.659 6.287 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.364 7.425 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.855 7.491 0.767 1.00 0.00 H new ATOM 196 N GLN A 13 3.484 9.981 2.336 1.00 0.00 N ATOM 197 CA GLN A 13 4.599 10.143 3.288 1.00 0.00 C ATOM 198 C GLN A 13 4.358 9.256 4.523 1.00 0.00 C ATOM 199 O GLN A 13 4.990 9.438 5.567 1.00 0.00 O ATOM 200 CB GLN A 13 4.750 11.641 3.691 1.00 0.00 C ATOM 201 CG GLN A 13 3.488 12.275 4.317 1.00 0.00 C ATOM 202 CD GLN A 13 3.705 13.709 4.797 1.00 0.00 C ATOM 203 OE1 GLN A 13 3.495 14.676 4.059 1.00 0.00 O ATOM 204 NE2 GLN A 13 4.144 13.859 6.042 1.00 0.00 N ATOM 0 H GLN A 13 2.596 9.762 2.788 1.00 0.00 H new ATOM 0 HA GLN A 13 5.529 9.829 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.574 11.731 4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.027 12.214 2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.682 12.263 3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.162 11.663 5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.308 13.040 6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.317 14.793 6.413 1.00 0.00 H new ATOM 213 N SER A 14 3.465 8.266 4.368 1.00 0.00 N ATOM 214 CA SER A 14 3.023 7.375 5.455 1.00 0.00 C ATOM 215 C SER A 14 4.169 6.500 6.010 1.00 0.00 C ATOM 216 O SER A 14 4.158 6.141 7.194 1.00 0.00 O ATOM 217 CB SER A 14 1.872 6.489 4.941 1.00 0.00 C ATOM 218 OG SER A 14 0.814 7.283 4.427 1.00 0.00 O ATOM 0 H SER A 14 3.023 8.058 3.473 1.00 0.00 H new ATOM 0 HA SER A 14 2.681 7.998 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.241 5.820 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.501 5.861 5.751 1.00 0.00 H new ATOM 0 HG SER A 14 0.457 6.867 3.615 1.00 0.00 H new ATOM 224 N ALA A 15 5.129 6.148 5.118 1.00 0.00 N ATOM 225 CA ALA A 15 6.339 5.332 5.422 1.00 0.00 C ATOM 226 C ALA A 15 6.013 3.828 5.576 1.00 0.00 C ATOM 227 O ALA A 15 6.720 2.983 5.026 1.00 0.00 O ATOM 228 CB ALA A 15 7.133 5.849 6.643 1.00 0.00 C ATOM 0 H ALA A 15 5.084 6.430 4.139 1.00 0.00 H new ATOM 0 HA ALA A 15 6.985 5.447 4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.001 5.211 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.464 6.870 6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.495 5.831 7.526 1.00 0.00 H new ATOM 234 N SER A 16 4.959 3.509 6.340 1.00 0.00 N ATOM 235 CA SER A 16 4.475 2.136 6.546 1.00 0.00 C ATOM 236 C SER A 16 3.214 1.896 5.709 1.00 0.00 C ATOM 237 O SER A 16 2.423 2.825 5.508 1.00 0.00 O ATOM 238 CB SER A 16 4.163 1.929 8.045 1.00 0.00 C ATOM 239 OG SER A 16 3.650 0.628 8.299 1.00 0.00 O ATOM 0 H SER A 16 4.410 4.208 6.840 1.00 0.00 H new ATOM 0 HA SER A 16 5.242 1.427 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.069 2.084 8.630 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.440 2.676 8.373 1.00 0.00 H new ATOM 0 HG SER A 16 4.391 0.015 8.487 1.00 0.00 H new ATOM 245 N VAL A 17 3.042 0.646 5.230 1.00 0.00 N ATOM 246 CA VAL A 17 1.844 0.215 4.479 1.00 0.00 C ATOM 247 C VAL A 17 0.600 0.169 5.408 1.00 0.00 C ATOM 248 O VAL A 17 -0.524 0.414 4.958 1.00 0.00 O ATOM 249 CB VAL A 17 2.088 -1.177 3.774 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.827 -1.685 3.040 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.284 -1.094 2.792 1.00 0.00 C ATOM 0 H VAL A 17 3.732 -0.095 5.354 1.00 0.00 H new ATOM 0 HA VAL A 17 1.650 0.949 3.697 1.00 0.00 H new ATOM 0 HB VAL A 17 2.324 -1.895 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.041 -2.645 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.013 -1.805 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.535 -0.964 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.434 -2.064 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.076 -0.345 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.185 -0.814 3.338 1.00 0.00 H new ATOM 261 N ALA A 18 0.822 -0.124 6.709 1.00 0.00 N ATOM 262 CA ALA A 18 -0.236 -0.057 7.740 1.00 0.00 C ATOM 263 C ALA A 18 -0.738 1.375 7.883 1.00 0.00 C ATOM 264 O ALA A 18 -1.924 1.638 7.689 1.00 0.00 O ATOM 265 CB ALA A 18 0.271 -0.584 9.086 1.00 0.00 C ATOM 0 H ALA A 18 1.731 -0.411 7.071 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.063 -0.692 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.528 -0.523 9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.584 -1.622 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.118 0.017 9.417 1.00 0.00 H new ATOM 271 N ALA A 19 0.211 2.295 8.158 1.00 0.00 N ATOM 272 CA ALA A 19 -0.057 3.737 8.274 1.00 0.00 C ATOM 273 C ALA A 19 -0.724 4.293 6.998 1.00 0.00 C ATOM 274 O ALA A 19 -1.566 5.188 7.073 1.00 0.00 O ATOM 275 CB ALA A 19 1.249 4.483 8.569 1.00 0.00 C ATOM 0 H ALA A 19 1.191 2.052 8.306 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.753 3.891 9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.047 5.551 8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.673 4.118 9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.957 4.311 7.758 1.00 0.00 H new ATOM 281 N LEU A 20 -0.347 3.713 5.844 1.00 0.00 N ATOM 282 CA LEU A 20 -0.879 4.092 4.526 1.00 0.00 C ATOM 283 C LEU A 20 -2.373 3.762 4.411 1.00 0.00 C ATOM 284 O LEU A 20 -3.192 4.659 4.233 1.00 0.00 O ATOM 285 CB LEU A 20 -0.076 3.369 3.417 1.00 0.00 C ATOM 286 CG LEU A 20 -0.498 3.673 1.948 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.365 5.175 1.624 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.307 2.821 0.955 1.00 0.00 C ATOM 0 H LEU A 20 0.342 2.962 5.802 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.772 5.170 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.976 3.630 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.158 2.294 3.581 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.550 3.405 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.667 5.353 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.005 5.750 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.671 5.486 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.008 3.053 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.369 3.040 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.132 1.764 1.157 1.00 0.00 H new ATOM 300 N MET A 21 -2.715 2.467 4.563 1.00 0.00 N ATOM 301 CA MET A 21 -4.094 1.976 4.372 1.00 0.00 C ATOM 302 C MET A 21 -5.030 2.450 5.506 1.00 0.00 C ATOM 303 O MET A 21 -6.244 2.483 5.321 1.00 0.00 O ATOM 304 CB MET A 21 -4.108 0.432 4.232 1.00 0.00 C ATOM 305 CG MET A 21 -3.297 -0.105 3.041 1.00 0.00 C ATOM 306 SD MET A 21 -3.534 -1.876 2.780 1.00 0.00 S ATOM 307 CE MET A 21 -5.262 -1.978 2.289 1.00 0.00 C ATOM 0 H MET A 21 -2.049 1.738 4.819 1.00 0.00 H new ATOM 0 HA MET A 21 -4.477 2.403 3.445 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.717 -0.007 5.150 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.141 0.098 4.133 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.585 0.433 2.138 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.239 0.095 3.207 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.809 -2.588 3.008 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.692 -0.977 2.261 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.333 -2.431 1.300 1.00 0.00 H new ATOM 317 N THR A 22 -4.449 2.816 6.670 1.00 0.00 N ATOM 318 CA THR A 22 -5.192 3.457 7.780 1.00 0.00 C ATOM 319 C THR A 22 -5.600 4.897 7.386 1.00 0.00 C ATOM 320 O THR A 22 -6.746 5.315 7.600 1.00 0.00 O ATOM 321 CB THR A 22 -4.339 3.489 9.099 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.931 2.163 9.460 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.107 4.099 10.286 1.00 0.00 C ATOM 0 H THR A 22 -3.458 2.677 6.867 1.00 0.00 H new ATOM 0 HA THR A 22 -6.087 2.863 7.968 1.00 0.00 H new ATOM 0 HB THR A 22 -3.473 4.117 8.889 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.282 1.831 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.471 4.096 11.171 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.392 5.124 10.047 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.003 3.510 10.481 1.00 0.00 H new ATOM 331 N GLU A 23 -4.640 5.622 6.773 1.00 0.00 N ATOM 332 CA GLU A 23 -4.809 7.037 6.392 1.00 0.00 C ATOM 333 C GLU A 23 -5.740 7.173 5.170 1.00 0.00 C ATOM 334 O GLU A 23 -6.476 8.154 5.045 1.00 0.00 O ATOM 335 CB GLU A 23 -3.430 7.689 6.123 1.00 0.00 C ATOM 336 CG GLU A 23 -3.500 9.213 5.970 1.00 0.00 C ATOM 337 CD GLU A 23 -2.135 9.888 6.015 1.00 0.00 C ATOM 338 OE1 GLU A 23 -1.602 10.099 7.127 1.00 0.00 O ATOM 339 OE2 GLU A 23 -1.581 10.205 4.949 1.00 0.00 O ATOM 0 H GLU A 23 -3.726 5.241 6.529 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.279 7.565 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.754 7.444 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.003 7.259 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.985 9.454 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.126 9.622 6.763 1.00 0.00 H new ATOM 346 N LEU A 24 -5.702 6.161 4.291 1.00 0.00 N ATOM 347 CA LEU A 24 -6.596 6.065 3.116 1.00 0.00 C ATOM 348 C LEU A 24 -7.987 5.538 3.525 1.00 0.00 C ATOM 349 O LEU A 24 -8.928 5.566 2.718 1.00 0.00 O ATOM 350 CB LEU A 24 -5.956 5.138 2.045 1.00 0.00 C ATOM 351 CG LEU A 24 -4.594 5.628 1.450 1.00 0.00 C ATOM 352 CD1 LEU A 24 -4.001 4.584 0.485 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.747 6.999 0.761 1.00 0.00 C ATOM 0 H LEU A 24 -5.050 5.381 4.371 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.726 7.061 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.805 4.153 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.666 5.015 1.227 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.896 5.750 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.055 4.952 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.831 3.650 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.697 4.411 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.784 7.313 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.472 6.920 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.093 7.734 1.487 1.00 0.00 H new ATOM 365 N ASP A 25 -8.087 5.046 4.787 1.00 0.00 N ATOM 366 CA ASP A 25 -9.329 4.495 5.378 1.00 0.00 C ATOM 367 C ASP A 25 -9.809 3.243 4.614 1.00 0.00 C ATOM 368 O ASP A 25 -11.007 2.963 4.545 1.00 0.00 O ATOM 369 CB ASP A 25 -10.435 5.590 5.457 1.00 0.00 C ATOM 370 CG ASP A 25 -10.048 6.757 6.377 1.00 0.00 C ATOM 371 OD1 ASP A 25 -10.217 6.631 7.609 1.00 0.00 O ATOM 372 OD2 ASP A 25 -9.565 7.801 5.882 1.00 0.00 O ATOM 0 H ASP A 25 -7.295 5.022 5.429 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.108 4.177 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.634 5.972 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.361 5.141 5.817 1.00 0.00 H new ATOM 377 N CYS A 26 -8.833 2.477 4.101 1.00 0.00 N ATOM 378 CA CYS A 26 -9.040 1.233 3.333 1.00 0.00 C ATOM 379 C CYS A 26 -8.672 0.011 4.199 1.00 0.00 C ATOM 380 O CYS A 26 -8.112 -0.962 3.697 1.00 0.00 O ATOM 381 CB CYS A 26 -8.158 1.290 2.053 1.00 0.00 C ATOM 382 SG CYS A 26 -8.441 2.740 1.020 1.00 0.00 S ATOM 0 H CYS A 26 -7.846 2.711 4.211 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.087 1.137 3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.109 1.268 2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.341 0.394 1.460 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.767 3.750 1.770 1.00 0.00 H new ATOM 388 N THR A 27 -8.984 0.061 5.507 1.00 0.00 N ATOM 389 CA THR A 27 -8.592 -1.004 6.461 1.00 0.00 C ATOM 390 C THR A 27 -9.797 -1.463 7.324 1.00 0.00 C ATOM 391 O THR A 27 -9.620 -2.071 8.386 1.00 0.00 O ATOM 392 CB THR A 27 -7.391 -0.504 7.336 1.00 0.00 C ATOM 393 OG1 THR A 27 -6.880 -1.573 8.133 1.00 0.00 O ATOM 394 CG2 THR A 27 -7.771 0.677 8.249 1.00 0.00 C ATOM 0 H THR A 27 -9.507 0.827 5.932 1.00 0.00 H new ATOM 0 HA THR A 27 -8.266 -1.882 5.903 1.00 0.00 H new ATOM 0 HB THR A 27 -6.626 -0.153 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.130 -1.248 8.673 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.901 0.981 8.831 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.110 1.514 7.639 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.571 0.372 8.924 1.00 0.00 H new ATOM 402 N ASP A 28 -11.017 -1.238 6.792 1.00 0.00 N ATOM 403 CA ASP A 28 -12.303 -1.523 7.486 1.00 0.00 C ATOM 404 C ASP A 28 -12.403 -3.008 7.896 1.00 0.00 C ATOM 405 O ASP A 28 -12.435 -3.338 9.082 1.00 0.00 O ATOM 406 CB ASP A 28 -13.523 -1.166 6.574 1.00 0.00 C ATOM 407 CG ASP A 28 -13.513 0.268 6.030 1.00 0.00 C ATOM 408 OD1 ASP A 28 -12.679 0.570 5.151 1.00 0.00 O ATOM 409 OD2 ASP A 28 -14.341 1.099 6.471 1.00 0.00 O ATOM 0 H ASP A 28 -11.144 -0.849 5.858 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.325 -0.903 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.547 -1.860 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.441 -1.320 7.141 1.00 0.00 H new ATOM 414 N GLY A 29 -12.425 -3.889 6.883 1.00 0.00 N ATOM 415 CA GLY A 29 -12.571 -5.331 7.077 1.00 0.00 C ATOM 416 C GLY A 29 -11.689 -6.111 6.120 1.00 0.00 C ATOM 417 O GLY A 29 -10.467 -6.130 6.289 1.00 0.00 O ATOM 0 H GLY A 29 -12.341 -3.615 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.313 -5.589 8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -13.613 -5.616 6.928 1.00 0.00 H new ATOM 421 N HIS A 30 -12.298 -6.706 5.081 1.00 0.00 N ATOM 422 CA HIS A 30 -11.591 -7.535 4.089 1.00 0.00 C ATOM 423 C HIS A 30 -10.996 -6.644 2.985 1.00 0.00 C ATOM 424 O HIS A 30 -11.609 -6.438 1.932 1.00 0.00 O ATOM 425 CB HIS A 30 -12.534 -8.638 3.521 1.00 0.00 C ATOM 426 CG HIS A 30 -12.876 -9.721 4.532 1.00 0.00 C ATOM 427 ND1 HIS A 30 -12.653 -11.065 4.310 1.00 0.00 N ATOM 428 CD2 HIS A 30 -13.400 -9.647 5.786 1.00 0.00 C ATOM 429 CE1 HIS A 30 -13.016 -11.755 5.372 1.00 0.00 C ATOM 430 NE2 HIS A 30 -13.468 -10.922 6.280 1.00 0.00 N ATOM 0 H HIS A 30 -13.299 -6.625 4.904 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.762 -8.050 4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.456 -8.173 3.172 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.061 -9.098 2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -13.706 -8.747 6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.952 -12.828 5.478 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.814 -11.182 7.204 1.00 0.00 H new ATOM 439 N TYR A 31 -9.829 -6.053 3.292 1.00 0.00 N ATOM 440 CA TYR A 31 -9.065 -5.188 2.377 1.00 0.00 C ATOM 441 C TYR A 31 -7.582 -5.568 2.479 1.00 0.00 C ATOM 442 O TYR A 31 -7.011 -5.541 3.576 1.00 0.00 O ATOM 443 CB TYR A 31 -9.236 -3.684 2.743 1.00 0.00 C ATOM 444 CG TYR A 31 -10.669 -3.125 2.620 1.00 0.00 C ATOM 445 CD1 TYR A 31 -11.611 -3.337 3.625 1.00 0.00 C ATOM 446 CD2 TYR A 31 -11.070 -2.384 1.507 1.00 0.00 C ATOM 447 CE1 TYR A 31 -12.891 -2.846 3.522 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.356 -1.888 1.408 1.00 0.00 C ATOM 449 CZ TYR A 31 -13.258 -2.122 2.420 1.00 0.00 C ATOM 450 OH TYR A 31 -14.539 -1.635 2.330 1.00 0.00 O ATOM 0 H TYR A 31 -9.381 -6.165 4.202 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.437 -5.332 1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.895 -3.537 3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.580 -3.096 2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.329 -3.899 4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.365 -2.196 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.606 -3.031 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.652 -1.319 0.539 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.643 -1.142 1.490 1.00 0.00 H new ATOM 460 N ALA A 32 -6.977 -5.924 1.348 1.00 0.00 N ATOM 461 CA ALA A 32 -5.555 -6.293 1.270 1.00 0.00 C ATOM 462 C ALA A 32 -4.813 -5.289 0.379 1.00 0.00 C ATOM 463 O ALA A 32 -5.416 -4.348 -0.147 1.00 0.00 O ATOM 464 CB ALA A 32 -5.425 -7.724 0.727 1.00 0.00 C ATOM 0 H ALA A 32 -7.459 -5.967 0.450 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.106 -6.264 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.371 -7.997 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.943 -8.414 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.869 -7.778 -0.267 1.00 0.00 H new ATOM 470 N VAL A 33 -3.508 -5.505 0.204 1.00 0.00 N ATOM 471 CA VAL A 33 -2.660 -4.655 -0.651 1.00 0.00 C ATOM 472 C VAL A 33 -1.666 -5.529 -1.423 1.00 0.00 C ATOM 473 O VAL A 33 -1.220 -6.551 -0.911 1.00 0.00 O ATOM 474 CB VAL A 33 -1.895 -3.586 0.219 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.015 -4.256 1.297 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.072 -2.591 -0.643 1.00 0.00 C ATOM 0 H VAL A 33 -3.004 -6.272 0.648 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.293 -4.124 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.660 -3.000 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.503 -3.488 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.642 -4.853 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.278 -4.900 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.566 -1.878 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.331 -3.140 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.740 -2.056 -1.318 1.00 0.00 H new ATOM 486 N ALA A 34 -1.338 -5.127 -2.652 1.00 0.00 N ATOM 487 CA ALA A 34 -0.282 -5.749 -3.438 1.00 0.00 C ATOM 488 C ALA A 34 0.789 -4.689 -3.690 1.00 0.00 C ATOM 489 O ALA A 34 0.637 -3.840 -4.567 1.00 0.00 O ATOM 490 CB ALA A 34 -0.851 -6.324 -4.752 1.00 0.00 C ATOM 0 H ALA A 34 -1.803 -4.355 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 34 0.159 -6.590 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.047 -6.785 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.609 -7.073 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.300 -5.521 -5.336 1.00 0.00 H new ATOM 496 N LEU A 35 1.852 -4.732 -2.884 1.00 0.00 N ATOM 497 CA LEU A 35 2.988 -3.806 -2.992 1.00 0.00 C ATOM 498 C LEU A 35 4.025 -4.432 -3.925 1.00 0.00 C ATOM 499 O LEU A 35 4.525 -5.515 -3.628 1.00 0.00 O ATOM 500 CB LEU A 35 3.613 -3.528 -1.600 1.00 0.00 C ATOM 501 CG LEU A 35 4.884 -2.611 -1.598 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.561 -1.208 -2.132 1.00 0.00 C ATOM 503 CD2 LEU A 35 5.511 -2.532 -0.202 1.00 0.00 C ATOM 0 H LEU A 35 1.952 -5.414 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 35 2.646 -2.852 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.854 -3.068 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.875 -4.482 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 35 5.614 -3.064 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.463 -0.597 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.190 -1.284 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.800 -0.746 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.390 -1.889 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.786 -2.121 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.804 -3.531 0.122 1.00 0.00 H new ATOM 515 N ASN A 36 4.327 -3.753 -5.056 1.00 0.00 N ATOM 516 CA ASN A 36 5.235 -4.269 -6.117 1.00 0.00 C ATOM 517 C ASN A 36 4.754 -5.638 -6.658 1.00 0.00 C ATOM 518 O ASN A 36 5.573 -6.485 -7.039 1.00 0.00 O ATOM 519 CB ASN A 36 6.704 -4.353 -5.586 1.00 0.00 C ATOM 520 CG ASN A 36 7.306 -2.988 -5.238 1.00 0.00 C ATOM 521 OD1 ASN A 36 7.013 -1.985 -5.892 1.00 0.00 O ATOM 522 ND2 ASN A 36 8.151 -2.929 -4.216 1.00 0.00 N ATOM 0 H ASN A 36 3.949 -2.829 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 36 5.213 -3.568 -6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.726 -4.988 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.327 -4.835 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.575 -2.039 -3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.376 -3.774 -3.691 1.00 0.00 H new ATOM 529 N TYR A 37 3.407 -5.813 -6.684 1.00 0.00 N ATOM 530 CA TYR A 37 2.715 -7.062 -7.108 1.00 0.00 C ATOM 531 C TYR A 37 2.933 -8.223 -6.102 1.00 0.00 C ATOM 532 O TYR A 37 2.663 -9.386 -6.411 1.00 0.00 O ATOM 533 CB TYR A 37 3.103 -7.490 -8.572 1.00 0.00 C ATOM 534 CG TYR A 37 2.696 -6.520 -9.707 1.00 0.00 C ATOM 535 CD1 TYR A 37 2.210 -5.229 -9.455 1.00 0.00 C ATOM 536 CD2 TYR A 37 2.830 -6.904 -11.046 1.00 0.00 C ATOM 537 CE1 TYR A 37 1.871 -4.374 -10.486 1.00 0.00 C ATOM 538 CE2 TYR A 37 2.496 -6.046 -12.078 1.00 0.00 C ATOM 539 CZ TYR A 37 2.023 -4.785 -11.793 1.00 0.00 C ATOM 540 OH TYR A 37 1.702 -3.927 -12.827 1.00 0.00 O ATOM 0 H TYR A 37 2.758 -5.077 -6.406 1.00 0.00 H new ATOM 0 HA TYR A 37 1.649 -6.835 -7.112 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.184 -7.627 -8.612 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.651 -8.461 -8.775 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.098 -4.896 -8.434 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.202 -7.891 -11.278 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.488 -3.388 -10.269 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.606 -6.364 -13.104 1.00 0.00 H new ATOM 0 HH TYR A 37 2.363 -3.205 -12.870 1.00 0.00 H new ATOM 550 N ASP A 38 3.405 -7.890 -4.893 1.00 0.00 N ATOM 551 CA ASP A 38 3.535 -8.832 -3.768 1.00 0.00 C ATOM 552 C ASP A 38 2.479 -8.468 -2.722 1.00 0.00 C ATOM 553 O ASP A 38 2.520 -7.372 -2.153 1.00 0.00 O ATOM 554 CB ASP A 38 4.954 -8.760 -3.146 1.00 0.00 C ATOM 555 CG ASP A 38 5.108 -9.629 -1.880 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.992 -10.873 -1.990 1.00 0.00 O ATOM 557 OD2 ASP A 38 5.323 -9.085 -0.771 1.00 0.00 O ATOM 0 H ASP A 38 3.712 -6.945 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 38 3.384 -9.852 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.686 -9.078 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.182 -7.724 -2.897 1.00 0.00 H new ATOM 562 N VAL A 39 1.529 -9.379 -2.484 1.00 0.00 N ATOM 563 CA VAL A 39 0.403 -9.143 -1.580 1.00 0.00 C ATOM 564 C VAL A 39 0.864 -9.271 -0.125 1.00 0.00 C ATOM 565 O VAL A 39 1.355 -10.326 0.282 1.00 0.00 O ATOM 566 CB VAL A 39 -0.780 -10.132 -1.863 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.004 -9.797 -0.984 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.152 -10.108 -3.360 1.00 0.00 C ATOM 0 H VAL A 39 1.521 -10.303 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 39 0.038 -8.131 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.454 -11.140 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.810 -10.498 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.729 -9.874 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.339 -8.782 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.975 -10.800 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.456 -9.100 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.289 -10.407 -3.954 1.00 0.00 H new ATOM 578 N VAL A 40 0.691 -8.190 0.644 1.00 0.00 N ATOM 579 CA VAL A 40 1.198 -8.083 2.020 1.00 0.00 C ATOM 580 C VAL A 40 0.034 -8.302 3.022 1.00 0.00 C ATOM 581 O VAL A 40 -1.018 -7.680 2.856 1.00 0.00 O ATOM 582 CB VAL A 40 1.857 -6.669 2.255 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.566 -6.583 3.625 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.833 -6.308 1.114 1.00 0.00 C ATOM 0 H VAL A 40 0.192 -7.358 0.328 1.00 0.00 H new ATOM 0 HA VAL A 40 1.958 -8.848 2.178 1.00 0.00 H new ATOM 0 HB VAL A 40 1.047 -5.939 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.006 -5.593 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.842 -6.758 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.351 -7.337 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.270 -5.328 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.625 -7.055 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.293 -6.286 0.167 1.00 0.00 H new ATOM 594 N PRO A 41 0.187 -9.205 4.043 1.00 0.00 N ATOM 595 CA PRO A 41 -0.823 -9.386 5.122 1.00 0.00 C ATOM 596 C PRO A 41 -0.729 -8.278 6.195 1.00 0.00 C ATOM 597 O PRO A 41 0.316 -7.621 6.322 1.00 0.00 O ATOM 598 CB PRO A 41 -0.459 -10.777 5.704 1.00 0.00 C ATOM 599 CG PRO A 41 1.026 -10.887 5.511 1.00 0.00 C ATOM 600 CD PRO A 41 1.338 -10.144 4.216 1.00 0.00 C ATOM 0 HA PRO A 41 -1.849 -9.325 4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.729 -10.850 6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.987 -11.576 5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.562 -10.447 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.335 -11.930 5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.284 -9.606 4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.422 -10.831 3.374 1.00 0.00 H new ATOM 608 N ARG A 42 -1.829 -8.102 6.968 1.00 0.00 N ATOM 609 CA ARG A 42 -1.930 -7.075 8.034 1.00 0.00 C ATOM 610 C ARG A 42 -0.758 -7.153 9.029 1.00 0.00 C ATOM 611 O ARG A 42 -0.172 -6.124 9.384 1.00 0.00 O ATOM 612 CB ARG A 42 -3.284 -7.179 8.792 1.00 0.00 C ATOM 613 CG ARG A 42 -4.526 -6.833 7.949 1.00 0.00 C ATOM 614 CD ARG A 42 -5.811 -6.841 8.793 1.00 0.00 C ATOM 615 NE ARG A 42 -6.966 -6.272 8.079 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.417 -5.013 8.202 1.00 0.00 C ATOM 617 NH1 ARG A 42 -6.822 -4.147 9.014 1.00 0.00 N ATOM 618 NH2 ARG A 42 -8.459 -4.619 7.492 1.00 0.00 N ATOM 0 H ARG A 42 -2.671 -8.669 6.870 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.881 -6.106 7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.393 -8.194 9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.252 -6.515 9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.395 -5.850 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.623 -7.550 7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.040 -7.865 9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.642 -6.276 9.710 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.466 -6.886 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.008 -4.434 9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.179 -3.195 9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.917 -5.270 6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.806 -3.664 7.582 1.00 0.00 H new ATOM 632 N GLY A 43 -0.409 -8.389 9.429 1.00 0.00 N ATOM 633 CA GLY A 43 0.684 -8.643 10.377 1.00 0.00 C ATOM 634 C GLY A 43 2.041 -8.110 9.926 1.00 0.00 C ATOM 635 O GLY A 43 2.926 -7.884 10.752 1.00 0.00 O ATOM 0 H GLY A 43 -0.877 -9.235 9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.430 -8.192 11.336 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.765 -9.718 10.541 1.00 0.00 H new ATOM 639 N LYS A 44 2.202 -7.895 8.609 1.00 0.00 N ATOM 640 CA LYS A 44 3.453 -7.389 8.015 1.00 0.00 C ATOM 641 C LYS A 44 3.358 -5.900 7.628 1.00 0.00 C ATOM 642 O LYS A 44 4.397 -5.261 7.520 1.00 0.00 O ATOM 643 CB LYS A 44 3.842 -8.231 6.773 1.00 0.00 C ATOM 644 CG LYS A 44 4.406 -9.613 7.125 1.00 0.00 C ATOM 645 CD LYS A 44 4.902 -10.383 5.891 1.00 0.00 C ATOM 646 CE LYS A 44 5.673 -11.651 6.277 1.00 0.00 C ATOM 647 NZ LYS A 44 4.890 -12.539 7.170 1.00 0.00 N ATOM 0 H LYS A 44 1.466 -8.068 7.924 1.00 0.00 H new ATOM 0 HA LYS A 44 4.227 -7.482 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.964 -8.356 6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.582 -7.683 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.229 -9.496 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.636 -10.198 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.051 -10.652 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.544 -9.736 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.945 -12.197 5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.603 -11.371 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.395 -13.440 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.768 -12.081 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.957 -12.720 6.748 1.00 0.00 H new ATOM 661 N TRP A 45 2.114 -5.372 7.423 1.00 0.00 N ATOM 662 CA TRP A 45 1.875 -3.976 6.921 1.00 0.00 C ATOM 663 C TRP A 45 2.743 -2.913 7.665 1.00 0.00 C ATOM 664 O TRP A 45 3.279 -1.988 7.038 1.00 0.00 O ATOM 665 CB TRP A 45 0.374 -3.566 7.048 1.00 0.00 C ATOM 666 CG TRP A 45 -0.606 -4.155 6.060 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.346 -4.952 4.997 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.029 -3.934 6.045 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.515 -5.286 4.355 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.563 -4.661 4.972 1.00 0.00 C ATOM 671 CE3 TRP A 45 -2.894 -3.200 6.856 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -3.931 -4.679 4.683 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.250 -3.204 6.571 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.758 -3.942 5.492 1.00 0.00 C ATOM 0 H TRP A 45 1.255 -5.893 7.598 1.00 0.00 H new ATOM 0 HA TRP A 45 2.165 -3.993 5.870 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.039 -3.832 8.051 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.316 -2.480 6.970 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.639 -5.279 4.696 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.589 -5.903 3.546 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.512 -2.636 7.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.322 -5.251 3.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.925 -2.631 7.189 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.820 -3.930 5.294 1.00 0.00 H new ATOM 685 N ASP A 46 2.840 -3.067 9.002 1.00 0.00 N ATOM 686 CA ASP A 46 3.654 -2.192 9.880 1.00 0.00 C ATOM 687 C ASP A 46 5.143 -2.250 9.502 1.00 0.00 C ATOM 688 O ASP A 46 5.790 -1.216 9.314 1.00 0.00 O ATOM 689 CB ASP A 46 3.481 -2.601 11.362 1.00 0.00 C ATOM 690 CG ASP A 46 2.035 -2.478 11.863 1.00 0.00 C ATOM 691 OD1 ASP A 46 1.629 -1.374 12.294 1.00 0.00 O ATOM 692 OD2 ASP A 46 1.292 -3.484 11.805 1.00 0.00 O ATOM 0 H ASP A 46 2.353 -3.806 9.509 1.00 0.00 H new ATOM 0 HA ASP A 46 3.301 -1.170 9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.815 -3.631 11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.127 -1.978 11.981 1.00 0.00 H new ATOM 697 N GLU A 47 5.664 -3.471 9.369 1.00 0.00 N ATOM 698 CA GLU A 47 7.087 -3.729 9.079 1.00 0.00 C ATOM 699 C GLU A 47 7.422 -3.500 7.592 1.00 0.00 C ATOM 700 O GLU A 47 8.596 -3.370 7.230 1.00 0.00 O ATOM 701 CB GLU A 47 7.440 -5.181 9.498 1.00 0.00 C ATOM 702 CG GLU A 47 7.130 -5.515 10.974 1.00 0.00 C ATOM 703 CD GLU A 47 7.919 -4.663 11.984 1.00 0.00 C ATOM 704 OE1 GLU A 47 9.137 -4.886 12.135 1.00 0.00 O ATOM 705 OE2 GLU A 47 7.333 -3.768 12.623 1.00 0.00 O ATOM 0 H GLU A 47 5.109 -4.322 9.459 1.00 0.00 H new ATOM 0 HA GLU A 47 7.687 -3.023 9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.892 -5.873 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.501 -5.351 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.063 -5.377 11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.349 -6.568 11.152 1.00 0.00 H new ATOM 712 N THR A 48 6.382 -3.424 6.742 1.00 0.00 N ATOM 713 CA THR A 48 6.540 -3.304 5.291 1.00 0.00 C ATOM 714 C THR A 48 6.571 -1.806 4.917 1.00 0.00 C ATOM 715 O THR A 48 5.600 -1.093 5.200 1.00 0.00 O ATOM 716 CB THR A 48 5.395 -4.057 4.534 1.00 0.00 C ATOM 717 OG1 THR A 48 5.370 -5.420 4.979 1.00 0.00 O ATOM 718 CG2 THR A 48 5.597 -4.043 3.011 1.00 0.00 C ATOM 0 H THR A 48 5.409 -3.445 7.048 1.00 0.00 H new ATOM 0 HA THR A 48 7.478 -3.770 4.988 1.00 0.00 H new ATOM 0 HB THR A 48 4.457 -3.546 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.169 -5.447 5.938 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.778 -4.578 2.530 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.616 -3.013 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.541 -4.529 2.765 1.00 0.00 H new ATOM 726 N PRO A 49 7.706 -1.302 4.336 1.00 0.00 N ATOM 727 CA PRO A 49 7.857 0.128 3.978 1.00 0.00 C ATOM 728 C PRO A 49 7.237 0.475 2.599 1.00 0.00 C ATOM 729 O PRO A 49 7.054 -0.397 1.746 1.00 0.00 O ATOM 730 CB PRO A 49 9.392 0.305 3.973 1.00 0.00 C ATOM 731 CG PRO A 49 9.920 -1.017 3.488 1.00 0.00 C ATOM 732 CD PRO A 49 8.942 -2.076 3.988 1.00 0.00 C ATOM 0 HA PRO A 49 7.336 0.792 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.696 1.119 3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.768 0.542 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.989 -1.033 2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.923 -1.201 3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.740 -2.825 3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.337 -2.605 4.855 1.00 0.00 H new ATOM 740 N VAL A 50 6.927 1.767 2.404 1.00 0.00 N ATOM 741 CA VAL A 50 6.405 2.311 1.139 1.00 0.00 C ATOM 742 C VAL A 50 7.558 3.036 0.410 1.00 0.00 C ATOM 743 O VAL A 50 8.306 3.783 1.047 1.00 0.00 O ATOM 744 CB VAL A 50 5.210 3.301 1.412 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.575 3.786 0.100 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.135 2.654 2.311 1.00 0.00 C ATOM 0 H VAL A 50 7.033 2.474 3.132 1.00 0.00 H new ATOM 0 HA VAL A 50 6.024 1.502 0.516 1.00 0.00 H new ATOM 0 HB VAL A 50 5.624 4.163 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.754 4.467 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.325 4.305 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.195 2.930 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.326 3.364 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.740 1.763 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.579 2.377 3.267 1.00 0.00 H new ATOM 756 N THR A 51 7.692 2.824 -0.907 1.00 0.00 N ATOM 757 CA THR A 51 8.873 3.247 -1.691 1.00 0.00 C ATOM 758 C THR A 51 8.472 4.209 -2.832 1.00 0.00 C ATOM 759 O THR A 51 7.377 4.109 -3.375 1.00 0.00 O ATOM 760 CB THR A 51 9.571 1.978 -2.279 1.00 0.00 C ATOM 761 OG1 THR A 51 9.932 1.099 -1.203 1.00 0.00 O ATOM 762 CG2 THR A 51 10.828 2.307 -3.100 1.00 0.00 C ATOM 0 H THR A 51 6.982 2.351 -1.467 1.00 0.00 H new ATOM 0 HA THR A 51 9.560 3.781 -1.034 1.00 0.00 H new ATOM 0 HB THR A 51 8.859 1.505 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.369 0.300 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.266 1.384 -3.480 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.558 2.952 -3.936 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.553 2.818 -2.467 1.00 0.00 H new ATOM 770 N ALA A 52 9.365 5.154 -3.173 1.00 0.00 N ATOM 771 CA ALA A 52 9.168 6.079 -4.296 1.00 0.00 C ATOM 772 C ALA A 52 9.109 5.323 -5.644 1.00 0.00 C ATOM 773 O ALA A 52 10.108 4.727 -6.074 1.00 0.00 O ATOM 774 CB ALA A 52 10.302 7.123 -4.301 1.00 0.00 C ATOM 0 H ALA A 52 10.244 5.296 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 52 8.212 6.587 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.159 7.812 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.289 7.679 -3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.262 6.617 -4.409 1.00 0.00 H new ATOM 780 N GLY A 53 7.929 5.354 -6.294 1.00 0.00 N ATOM 781 CA GLY A 53 7.726 4.732 -7.606 1.00 0.00 C ATOM 782 C GLY A 53 7.501 3.233 -7.527 1.00 0.00 C ATOM 783 O GLY A 53 7.907 2.495 -8.432 1.00 0.00 O ATOM 0 H GLY A 53 7.096 5.810 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.869 5.197 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.595 4.930 -8.234 1.00 0.00 H new ATOM 787 N ASP A 54 6.861 2.777 -6.440 1.00 0.00 N ATOM 788 CA ASP A 54 6.460 1.363 -6.280 1.00 0.00 C ATOM 789 C ASP A 54 5.144 1.075 -7.035 1.00 0.00 C ATOM 790 O ASP A 54 4.520 1.995 -7.577 1.00 0.00 O ATOM 791 CB ASP A 54 6.316 1.020 -4.766 1.00 0.00 C ATOM 792 CG ASP A 54 5.340 1.923 -3.973 1.00 0.00 C ATOM 793 OD1 ASP A 54 4.498 2.614 -4.579 1.00 0.00 O ATOM 794 OD2 ASP A 54 5.431 1.946 -2.730 1.00 0.00 O ATOM 0 H ASP A 54 6.606 3.370 -5.650 1.00 0.00 H new ATOM 0 HA ASP A 54 7.235 0.730 -6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.984 -0.014 -4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.300 1.081 -4.301 1.00 0.00 H new ATOM 799 N GLU A 55 4.719 -0.198 -7.050 1.00 0.00 N ATOM 800 CA GLU A 55 3.453 -0.606 -7.686 1.00 0.00 C ATOM 801 C GLU A 55 2.453 -1.117 -6.621 1.00 0.00 C ATOM 802 O GLU A 55 2.348 -2.325 -6.377 1.00 0.00 O ATOM 803 CB GLU A 55 3.721 -1.681 -8.781 1.00 0.00 C ATOM 804 CG GLU A 55 4.660 -1.226 -9.921 1.00 0.00 C ATOM 805 CD GLU A 55 4.847 -2.301 -11.006 1.00 0.00 C ATOM 806 OE1 GLU A 55 5.590 -3.277 -10.761 1.00 0.00 O ATOM 807 OE2 GLU A 55 4.246 -2.187 -12.093 1.00 0.00 O ATOM 0 H GLU A 55 5.236 -0.968 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 55 3.005 0.261 -8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.150 -2.563 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.768 -1.984 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.257 -0.322 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.632 -0.966 -9.502 1.00 0.00 H new ATOM 814 N ILE A 56 1.744 -0.178 -5.971 1.00 0.00 N ATOM 815 CA ILE A 56 0.708 -0.486 -4.965 1.00 0.00 C ATOM 816 C ILE A 56 -0.635 -0.756 -5.685 1.00 0.00 C ATOM 817 O ILE A 56 -0.952 -0.109 -6.686 1.00 0.00 O ATOM 818 CB ILE A 56 0.533 0.716 -3.952 1.00 0.00 C ATOM 819 CG1 ILE A 56 1.881 1.030 -3.239 1.00 0.00 C ATOM 820 CG2 ILE A 56 -0.588 0.434 -2.915 1.00 0.00 C ATOM 821 CD1 ILE A 56 1.865 2.252 -2.338 1.00 0.00 C ATOM 0 H ILE A 56 1.873 0.822 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 56 1.015 -1.368 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 56 0.232 1.592 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.170 0.163 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.652 1.167 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.678 1.282 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.534 0.283 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.340 -0.461 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.849 2.386 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.612 3.134 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.123 2.115 -1.552 1.00 0.00 H new ATOM 833 N GLU A 57 -1.393 -1.737 -5.183 1.00 0.00 N ATOM 834 CA GLU A 57 -2.745 -2.051 -5.656 1.00 0.00 C ATOM 835 C GLU A 57 -3.589 -2.417 -4.429 1.00 0.00 C ATOM 836 O GLU A 57 -3.325 -3.428 -3.782 1.00 0.00 O ATOM 837 CB GLU A 57 -2.687 -3.226 -6.675 1.00 0.00 C ATOM 838 CG GLU A 57 -4.069 -3.724 -7.152 1.00 0.00 C ATOM 839 CD GLU A 57 -3.992 -4.866 -8.177 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.649 -6.002 -7.786 1.00 0.00 O ATOM 841 OE2 GLU A 57 -4.298 -4.644 -9.368 1.00 0.00 O ATOM 0 H GLU A 57 -1.079 -2.344 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.192 -1.199 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.108 -2.910 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.151 -4.059 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.642 -4.061 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.615 -2.889 -7.591 1.00 0.00 H new ATOM 848 N ILE A 58 -4.575 -1.577 -4.077 1.00 0.00 N ATOM 849 CA ILE A 58 -5.456 -1.838 -2.933 1.00 0.00 C ATOM 850 C ILE A 58 -6.485 -2.895 -3.348 1.00 0.00 C ATOM 851 O ILE A 58 -7.392 -2.625 -4.148 1.00 0.00 O ATOM 852 CB ILE A 58 -6.175 -0.531 -2.437 1.00 0.00 C ATOM 853 CG1 ILE A 58 -5.136 0.568 -2.044 1.00 0.00 C ATOM 854 CG2 ILE A 58 -7.137 -0.824 -1.254 1.00 0.00 C ATOM 855 CD1 ILE A 58 -4.196 0.205 -0.896 1.00 0.00 C ATOM 0 H ILE A 58 -4.781 -0.709 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.856 -2.201 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.773 -0.154 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.535 0.805 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.677 1.475 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.617 0.102 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.898 -1.536 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.572 -1.244 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.517 1.036 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.780 -0.000 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.619 -0.680 -1.164 1.00 0.00 H new ATOM 867 N LEU A 59 -6.274 -4.110 -2.845 1.00 0.00 N ATOM 868 CA LEU A 59 -7.157 -5.246 -3.084 1.00 0.00 C ATOM 869 C LEU A 59 -8.391 -5.157 -2.179 1.00 0.00 C ATOM 870 O LEU A 59 -8.291 -4.794 -1.004 1.00 0.00 O ATOM 871 CB LEU A 59 -6.392 -6.570 -2.832 1.00 0.00 C ATOM 872 CG LEU A 59 -5.228 -6.876 -3.822 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.409 -8.090 -3.355 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.772 -7.095 -5.249 1.00 0.00 C ATOM 0 H LEU A 59 -5.474 -4.334 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.490 -5.226 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.988 -6.548 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.105 -7.394 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.563 -6.013 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.604 -8.280 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.985 -7.887 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.056 -8.965 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.944 -7.307 -5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.465 -7.936 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.291 -6.197 -5.582 1.00 0.00 H new ATOM 886 N THR A 60 -9.555 -5.464 -2.754 1.00 0.00 N ATOM 887 CA THR A 60 -10.798 -5.691 -2.012 1.00 0.00 C ATOM 888 C THR A 60 -11.229 -7.150 -2.268 1.00 0.00 C ATOM 889 O THR A 60 -11.978 -7.414 -3.213 1.00 0.00 O ATOM 890 CB THR A 60 -11.918 -4.684 -2.444 1.00 0.00 C ATOM 891 OG1 THR A 60 -12.050 -4.690 -3.873 1.00 0.00 O ATOM 892 CG2 THR A 60 -11.623 -3.252 -1.974 1.00 0.00 C ATOM 0 H THR A 60 -9.663 -5.564 -3.763 1.00 0.00 H new ATOM 0 HA THR A 60 -10.634 -5.525 -0.947 1.00 0.00 H new ATOM 0 HB THR A 60 -12.846 -5.009 -1.973 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.074 -5.615 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.427 -2.590 -2.297 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.552 -3.233 -0.886 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.680 -2.915 -2.405 1.00 0.00 H new ATOM 900 N PRO A 61 -10.679 -8.142 -1.489 1.00 0.00 N ATOM 901 CA PRO A 61 -10.998 -9.573 -1.690 1.00 0.00 C ATOM 902 C PRO A 61 -12.502 -9.873 -1.479 1.00 0.00 C ATOM 903 O PRO A 61 -13.042 -9.674 -0.374 1.00 0.00 O ATOM 904 CB PRO A 61 -10.100 -10.299 -0.650 1.00 0.00 C ATOM 905 CG PRO A 61 -9.755 -9.247 0.361 1.00 0.00 C ATOM 906 CD PRO A 61 -9.688 -7.950 -0.397 1.00 0.00 C ATOM 0 HA PRO A 61 -10.805 -9.905 -2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.626 -11.134 -0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.204 -10.707 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.508 -9.201 1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.803 -9.467 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.946 -7.100 0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.688 -7.764 -0.789 1.00 0.00 H new ATOM 914 N ARG A 62 -13.156 -10.316 -2.567 1.00 0.00 N ATOM 915 CA ARG A 62 -14.553 -10.740 -2.574 1.00 0.00 C ATOM 916 C ARG A 62 -14.825 -11.494 -3.892 1.00 0.00 C ATOM 917 O ARG A 62 -14.829 -12.734 -3.909 1.00 0.00 O ATOM 918 CB ARG A 62 -15.520 -9.524 -2.414 1.00 0.00 C ATOM 919 CG ARG A 62 -17.001 -9.909 -2.184 1.00 0.00 C ATOM 920 CD ARG A 62 -17.201 -10.692 -0.877 1.00 0.00 C ATOM 921 NE ARG A 62 -16.663 -9.952 0.284 1.00 0.00 N ATOM 922 CZ ARG A 62 -16.313 -10.492 1.455 1.00 0.00 C ATOM 923 NH1 ARG A 62 -16.420 -11.800 1.666 1.00 0.00 N ATOM 924 NH2 ARG A 62 -15.851 -9.719 2.421 1.00 0.00 N ATOM 0 H ARG A 62 -12.712 -10.388 -3.482 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.736 -11.399 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.182 -8.915 -1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.454 -8.903 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.610 -9.005 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.353 -10.510 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.263 -10.886 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.708 -11.661 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.549 -8.943 0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.774 -12.408 0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.148 -12.195 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.763 -8.714 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.583 -10.127 3.316 1.00 0.00 H new ATOM 938 N GLN A 63 -15.031 -10.708 -4.992 1.00 0.00 N ATOM 939 CA GLN A 63 -15.232 -11.198 -6.377 1.00 0.00 C ATOM 940 C GLN A 63 -16.618 -11.872 -6.516 1.00 0.00 C ATOM 941 O GLN A 63 -17.555 -11.287 -7.090 1.00 0.00 O ATOM 942 CB GLN A 63 -14.076 -12.146 -6.851 1.00 0.00 C ATOM 943 CG GLN A 63 -12.660 -11.518 -6.818 1.00 0.00 C ATOM 944 CD GLN A 63 -11.531 -12.494 -7.195 1.00 0.00 C ATOM 945 OE1 GLN A 63 -11.712 -13.426 -7.990 1.00 0.00 O ATOM 946 NE2 GLN A 63 -10.354 -12.286 -6.627 1.00 0.00 N ATOM 0 H GLN A 63 -15.061 -9.690 -4.929 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.204 -10.332 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.077 -13.037 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.289 -12.473 -7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.635 -10.669 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.470 -11.128 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.232 -11.511 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -9.569 -12.901 -6.841 1.00 0.00 H new ATOM 955 N GLY A 64 -16.730 -13.104 -5.978 1.00 0.00 N ATOM 956 CA GLY A 64 -17.986 -13.853 -5.963 1.00 0.00 C ATOM 957 C GLY A 64 -18.502 -14.238 -7.356 1.00 0.00 C ATOM 958 O GLY A 64 -17.751 -14.213 -8.341 1.00 0.00 O ATOM 0 H GLY A 64 -15.950 -13.599 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.849 -14.760 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -18.746 -13.257 -5.458 1.00 0.00 H new ATOM 962 N GLY A 65 -19.785 -14.621 -7.419 1.00 0.00 N ATOM 963 CA GLY A 65 -20.472 -14.955 -8.666 1.00 0.00 C ATOM 964 C GLY A 65 -21.240 -13.765 -9.192 1.00 0.00 C ATOM 965 O GLY A 65 -22.468 -13.702 -9.050 1.00 0.00 O ATOM 0 H GLY A 65 -20.378 -14.707 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -19.746 -15.282 -9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -21.154 -15.788 -8.498 1.00 0.00 H new ATOM 969 N LEU A 66 -20.494 -12.830 -9.806 1.00 0.00 N ATOM 970 CA LEU A 66 -20.991 -11.529 -10.257 1.00 0.00 C ATOM 971 C LEU A 66 -21.494 -10.693 -9.061 1.00 0.00 C ATOM 972 O LEU A 66 -22.700 -10.673 -8.768 1.00 0.00 O ATOM 973 CB LEU A 66 -22.092 -11.697 -11.338 1.00 0.00 C ATOM 974 CG LEU A 66 -21.669 -12.374 -12.679 1.00 0.00 C ATOM 975 CD1 LEU A 66 -22.903 -12.753 -13.528 1.00 0.00 C ATOM 976 CD2 LEU A 66 -20.706 -11.474 -13.485 1.00 0.00 C ATOM 0 H LEU A 66 -19.503 -12.967 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 66 -20.164 -10.988 -10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -22.905 -12.280 -10.906 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -22.494 -10.710 -11.568 1.00 0.00 H new ATOM 0 HG LEU A 66 -21.138 -13.292 -12.427 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -22.576 -13.222 -14.456 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -23.529 -13.449 -12.970 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -23.476 -11.855 -13.758 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -20.431 -11.975 -14.413 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -21.198 -10.529 -13.715 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -19.809 -11.282 -12.896 1.00 0.00 H new ATOM 988 N GLU A 67 -20.536 -10.050 -8.361 1.00 0.00 N ATOM 989 CA GLU A 67 -20.792 -9.171 -7.206 1.00 0.00 C ATOM 990 C GLU A 67 -21.873 -8.109 -7.532 1.00 0.00 C ATOM 991 O GLU A 67 -21.832 -7.468 -8.590 1.00 0.00 O ATOM 992 CB GLU A 67 -19.482 -8.475 -6.723 1.00 0.00 C ATOM 993 CG GLU A 67 -18.792 -7.525 -7.739 1.00 0.00 C ATOM 994 CD GLU A 67 -18.020 -8.232 -8.866 1.00 0.00 C ATOM 995 OE1 GLU A 67 -18.606 -8.545 -9.922 1.00 0.00 O ATOM 996 OE2 GLU A 67 -16.817 -8.472 -8.698 1.00 0.00 O ATOM 0 H GLU A 67 -19.545 -10.130 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 67 -21.165 -9.802 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.710 -7.905 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.768 -9.249 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.550 -6.882 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.103 -6.877 -7.198 1.00 0.00 H new ATOM 1003 N HIS A 68 -22.833 -7.938 -6.612 1.00 0.00 N ATOM 1004 CA HIS A 68 -24.023 -7.108 -6.834 1.00 0.00 C ATOM 1005 C HIS A 68 -23.689 -5.615 -6.647 1.00 0.00 C ATOM 1006 O HIS A 68 -23.689 -5.096 -5.527 1.00 0.00 O ATOM 1007 CB HIS A 68 -25.184 -7.556 -5.902 1.00 0.00 C ATOM 1008 CG HIS A 68 -25.692 -8.955 -6.179 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -26.723 -9.225 -7.057 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -25.315 -10.155 -5.683 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -26.946 -10.521 -7.094 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -26.108 -11.106 -6.268 1.00 0.00 N ATOM 0 H HIS A 68 -22.805 -8.374 -5.690 1.00 0.00 H new ATOM 0 HA HIS A 68 -24.354 -7.244 -7.863 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -24.847 -7.501 -4.867 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -26.011 -6.853 -6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -24.533 -10.331 -4.959 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -27.690 -11.018 -7.699 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -26.056 -12.109 -6.091 1.00 0.00 H new ATOM 1021 N HIS A 69 -23.325 -4.964 -7.755 1.00 0.00 N ATOM 1022 CA HIS A 69 -23.160 -3.498 -7.843 1.00 0.00 C ATOM 1023 C HIS A 69 -24.195 -2.923 -8.845 1.00 0.00 C ATOM 1024 O HIS A 69 -24.273 -1.704 -9.039 1.00 0.00 O ATOM 1025 CB HIS A 69 -21.691 -3.180 -8.266 1.00 0.00 C ATOM 1026 CG HIS A 69 -21.338 -1.709 -8.304 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -20.946 -1.000 -7.188 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -21.292 -0.824 -9.331 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -20.702 0.249 -7.529 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -20.900 0.377 -8.820 1.00 0.00 N ATOM 0 H HIS A 69 -23.132 -5.443 -8.635 1.00 0.00 H new ATOM 0 HA HIS A 69 -23.342 -3.027 -6.877 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -21.014 -3.683 -7.576 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -21.513 -3.606 -9.253 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -21.524 -1.033 -10.365 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -20.391 1.036 -6.858 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -20.780 1.237 -9.355 1.00 0.00 H new ATOM 1039 N HIS A 70 -25.012 -3.831 -9.446 1.00 0.00 N ATOM 1040 CA HIS A 70 -26.024 -3.506 -10.478 1.00 0.00 C ATOM 1041 C HIS A 70 -25.351 -2.994 -11.774 1.00 0.00 C ATOM 1042 O HIS A 70 -24.971 -1.815 -11.855 1.00 0.00 O ATOM 1043 CB HIS A 70 -27.075 -2.482 -9.958 1.00 0.00 C ATOM 1044 CG HIS A 70 -28.155 -2.118 -10.954 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -28.009 -1.109 -11.883 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -29.393 -2.631 -11.157 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -29.098 -1.022 -12.610 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -29.954 -1.934 -12.197 1.00 0.00 N ATOM 0 H HIS A 70 -24.982 -4.825 -9.220 1.00 0.00 H new ATOM 0 HA HIS A 70 -26.555 -4.429 -10.710 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -27.547 -2.890 -9.064 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -26.556 -1.572 -9.657 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -29.852 -3.437 -10.604 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -29.265 -0.320 -13.413 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -30.883 -2.096 -12.587 1.00 0.00 H new ATOM 1057 N HIS A 71 -25.207 -3.894 -12.768 1.00 0.00 N ATOM 1058 CA HIS A 71 -24.611 -3.567 -14.076 1.00 0.00 C ATOM 1059 C HIS A 71 -25.463 -2.521 -14.816 1.00 0.00 C ATOM 1060 O HIS A 71 -26.683 -2.677 -14.957 1.00 0.00 O ATOM 1061 CB HIS A 71 -24.436 -4.827 -14.961 1.00 0.00 C ATOM 1062 CG HIS A 71 -23.499 -5.859 -14.382 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -23.901 -7.117 -13.975 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -22.165 -5.811 -14.159 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -22.860 -7.784 -13.521 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -21.800 -7.015 -13.627 1.00 0.00 N ATOM 0 H HIS A 71 -25.501 -4.867 -12.685 1.00 0.00 H new ATOM 0 HA HIS A 71 -23.622 -3.151 -13.883 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -25.412 -5.286 -15.119 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -24.065 -4.522 -15.939 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -21.511 -4.976 -14.364 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -22.875 -8.790 -13.129 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -20.852 -7.276 -13.355 1.00 0.00 H new ATOM 1075 N HIS A 72 -24.787 -1.451 -15.254 1.00 0.00 N ATOM 1076 CA HIS A 72 -25.390 -0.343 -16.010 1.00 0.00 C ATOM 1077 C HIS A 72 -25.534 -0.758 -17.486 1.00 0.00 C ATOM 1078 O HIS A 72 -24.677 -0.454 -18.333 1.00 0.00 O ATOM 1079 CB HIS A 72 -24.542 0.951 -15.853 1.00 0.00 C ATOM 1080 CG HIS A 72 -24.347 1.367 -14.421 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -23.189 1.114 -13.720 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -25.169 2.002 -13.556 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -23.310 1.570 -12.493 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -24.500 2.111 -12.367 1.00 0.00 N ATOM 0 H HIS A 72 -23.788 -1.328 -15.091 1.00 0.00 H new ATOM 0 HA HIS A 72 -26.382 -0.123 -15.615 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -23.567 0.796 -16.315 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -25.026 1.762 -16.397 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -26.167 2.357 -13.764 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -22.558 1.510 -11.720 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -24.867 2.543 -11.519 1.00 0.00 H new ATOM 1093 N HIS A 73 -26.602 -1.520 -17.755 1.00 0.00 N ATOM 1094 CA HIS A 73 -26.882 -2.121 -19.068 1.00 0.00 C ATOM 1095 C HIS A 73 -28.409 -2.338 -19.204 1.00 0.00 C ATOM 1096 O HIS A 73 -29.000 -2.963 -18.306 1.00 0.00 O ATOM 1097 CB HIS A 73 -26.120 -3.467 -19.222 1.00 0.00 C ATOM 1098 CG HIS A 73 -26.334 -4.156 -20.554 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -27.327 -5.092 -20.762 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -25.687 -4.038 -21.737 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -27.282 -5.517 -22.003 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -26.296 -4.898 -22.618 1.00 0.00 N ATOM 1103 OXT HIS A 73 -29.007 -1.899 -20.198 1.00 0.00 O ATOM 0 H HIS A 73 -27.309 -1.741 -17.054 1.00 0.00 H new ATOM 0 HA HIS A 73 -26.540 -1.452 -19.858 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -25.054 -3.285 -19.088 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -26.431 -4.141 -18.424 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -24.850 -3.390 -21.948 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -27.941 -6.250 -22.444 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -26.027 -5.035 -23.592 1.00 0.00 H new TER 1112 HIS A 73