USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl -179:sc= -0.469 (180deg=-0.481) USER MOD Set 1.2: A 15 MET CE :methyl -179:sc= 0 (180deg=-0.000996) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.11 (180deg=1.1) USER MOD Single : A 7 ASN : amide:sc= 1.36 K(o=1.4,f=-9.8!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.00044) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -24:sc= 0.261 USER MOD Single : A 17 TYR OH : rot 91:sc= 0.0857 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.77 K(o=1.8,f=0) USER MOD Single : A 37 SER OG : rot -43:sc= 1.21 USER MOD Single : A 45 MET CE :methyl -142:sc= 0 (180deg=-0.318) USER MOD Single : A 49 HIS : no HD1:sc=-0.00941 X(o=-0.0094,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.12) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.865 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 2.14 (180deg=2.14) USER MOD Single : A 79 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.913 0.645 -3.312 1.00 0.00 N ATOM 2 CA MET A 1 5.295 -0.390 -4.199 1.00 0.00 C ATOM 3 C MET A 1 4.149 0.204 -5.044 1.00 0.00 C ATOM 4 O MET A 1 3.853 1.394 -4.938 1.00 0.00 O ATOM 5 CB MET A 1 4.891 -1.672 -3.415 1.00 0.00 C ATOM 6 CG MET A 1 3.718 -1.530 -2.430 1.00 0.00 C ATOM 7 SD MET A 1 3.572 -2.864 -1.206 1.00 0.00 S ATOM 8 CE MET A 1 3.271 -4.257 -2.314 1.00 0.00 C ATOM 0 H1 MET A 1 6.646 0.203 -2.721 1.00 0.00 H new ATOM 0 H2 MET A 1 6.343 1.391 -3.896 1.00 0.00 H new ATOM 0 H3 MET A 1 5.181 1.062 -2.702 1.00 0.00 H new ATOM 0 HA MET A 1 6.056 -0.716 -4.908 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.639 -2.449 -4.137 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.762 -2.022 -2.861 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.821 -0.583 -1.901 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.790 -1.478 -3.000 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.138 -5.166 -1.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.372 -4.068 -2.900 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.122 -4.379 -2.984 1.00 0.00 H new ATOM 20 N GLU A 2 3.507 -0.604 -5.896 1.00 0.00 N ATOM 21 CA GLU A 2 2.540 -0.172 -6.907 1.00 0.00 C ATOM 22 C GLU A 2 1.302 -1.058 -6.755 1.00 0.00 C ATOM 23 O GLU A 2 1.468 -2.268 -6.676 1.00 0.00 O ATOM 24 CB GLU A 2 3.225 -0.352 -8.283 1.00 0.00 C ATOM 25 CG GLU A 2 3.720 0.995 -8.826 1.00 0.00 C ATOM 26 CD GLU A 2 4.402 0.842 -10.197 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.691 0.720 -11.224 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.655 0.882 -10.260 1.00 0.00 O ATOM 0 H GLU A 2 3.653 -1.613 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 2 2.231 0.868 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.064 -1.042 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.523 -0.798 -8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.879 1.683 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.421 1.437 -8.118 1.00 0.00 H new ATOM 35 N ILE A 3 0.084 -0.506 -6.682 1.00 0.00 N ATOM 36 CA ILE A 3 -1.146 -1.239 -6.340 1.00 0.00 C ATOM 37 C ILE A 3 -2.169 -1.051 -7.473 1.00 0.00 C ATOM 38 O ILE A 3 -2.190 0.000 -8.123 1.00 0.00 O ATOM 39 CB ILE A 3 -1.722 -0.734 -4.997 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.693 -0.707 -3.848 1.00 0.00 C ATOM 41 CG2 ILE A 3 -2.951 -1.547 -4.546 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.065 -2.047 -3.455 1.00 0.00 C ATOM 0 H ILE A 3 -0.079 0.484 -6.863 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.920 -2.299 -6.228 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.019 0.294 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.109 -0.024 -4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.178 -0.287 -2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.319 -1.154 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.735 -1.470 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.670 -2.593 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.639 -1.893 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.847 -2.735 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.460 -2.468 -4.312 1.00 0.00 H new ATOM 54 N GLU A 4 -3.058 -2.031 -7.673 1.00 0.00 N ATOM 55 CA GLU A 4 -4.206 -1.965 -8.557 1.00 0.00 C ATOM 56 C GLU A 4 -5.382 -2.722 -7.926 1.00 0.00 C ATOM 57 O GLU A 4 -5.197 -3.722 -7.228 1.00 0.00 O ATOM 58 CB GLU A 4 -3.810 -2.614 -9.880 1.00 0.00 C ATOM 59 CG GLU A 4 -4.935 -2.579 -10.905 1.00 0.00 C ATOM 60 CD GLU A 4 -5.354 -1.153 -11.303 1.00 0.00 C ATOM 61 OE1 GLU A 4 -6.227 -0.577 -10.608 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.823 -0.615 -12.304 1.00 0.00 O ATOM 0 H GLU A 4 -2.985 -2.930 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.511 -0.932 -8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.937 -2.102 -10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.518 -3.649 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.620 -3.120 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.800 -3.105 -10.502 1.00 0.00 H new ATOM 69 N ARG A 5 -6.610 -2.309 -8.242 1.00 0.00 N ATOM 70 CA ARG A 5 -7.846 -2.869 -7.718 1.00 0.00 C ATOM 71 C ARG A 5 -8.710 -3.251 -8.919 1.00 0.00 C ATOM 72 O ARG A 5 -9.398 -2.404 -9.488 1.00 0.00 O ATOM 73 CB ARG A 5 -8.449 -1.820 -6.777 1.00 0.00 C ATOM 74 CG ARG A 5 -9.555 -2.354 -5.868 1.00 0.00 C ATOM 75 CD ARG A 5 -10.956 -2.369 -6.498 1.00 0.00 C ATOM 76 NE ARG A 5 -12.014 -2.605 -5.492 1.00 0.00 N ATOM 77 CZ ARG A 5 -12.474 -1.719 -4.591 1.00 0.00 C ATOM 78 NH1 ARG A 5 -11.952 -0.500 -4.483 1.00 0.00 N ATOM 79 NH2 ARG A 5 -13.464 -2.039 -3.772 1.00 0.00 N ATOM 0 H ARG A 5 -6.772 -1.544 -8.897 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.725 -3.777 -7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -7.654 -1.405 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.849 -1.000 -7.374 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.298 -3.369 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.586 -1.748 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.138 -1.418 -6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.002 -3.146 -7.261 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.437 -3.533 -5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.184 -0.218 -5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.320 0.153 -3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.886 -2.966 -3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.804 -1.358 -3.093 1.00 0.00 H new ATOM 93 N ILE A 6 -8.605 -4.514 -9.345 1.00 0.00 N ATOM 94 CA ILE A 6 -9.192 -5.001 -10.592 1.00 0.00 C ATOM 95 C ILE A 6 -10.714 -4.942 -10.475 1.00 0.00 C ATOM 96 O ILE A 6 -11.393 -4.339 -11.307 1.00 0.00 O ATOM 97 CB ILE A 6 -8.702 -6.441 -10.875 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.167 -6.552 -10.819 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.234 -6.997 -12.204 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.430 -5.659 -11.817 1.00 0.00 C ATOM 0 H ILE A 6 -8.103 -5.234 -8.825 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.881 -4.375 -11.428 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.115 -7.056 -10.075 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.834 -6.302 -9.812 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.883 -7.589 -11.000 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.859 -8.010 -12.351 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.324 -7.014 -12.181 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.898 -6.363 -13.024 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.355 -5.801 -11.708 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.730 -5.922 -12.831 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.679 -4.615 -11.625 1.00 0.00 H new ATOM 112 N ASN A 7 -11.227 -5.578 -9.420 1.00 0.00 N ATOM 113 CA ASN A 7 -12.647 -5.656 -9.083 1.00 0.00 C ATOM 114 C ASN A 7 -12.782 -5.909 -7.574 1.00 0.00 C ATOM 115 O ASN A 7 -11.848 -5.631 -6.820 1.00 0.00 O ATOM 116 CB ASN A 7 -13.367 -6.705 -9.973 1.00 0.00 C ATOM 117 CG ASN A 7 -13.074 -8.173 -9.672 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.360 -8.509 -8.740 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.632 -9.089 -10.440 1.00 0.00 N ATOM 0 H ASN A 7 -10.638 -6.073 -8.750 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.150 -4.713 -9.297 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.442 -6.547 -9.884 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.101 -6.510 -11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.467 -10.079 -10.256 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.228 -8.808 -11.218 1.00 0.00 H new ATOM 126 N GLU A 8 -13.933 -6.395 -7.102 1.00 0.00 N ATOM 127 CA GLU A 8 -14.193 -6.580 -5.672 1.00 0.00 C ATOM 128 C GLU A 8 -13.408 -7.754 -5.051 1.00 0.00 C ATOM 129 O GLU A 8 -13.375 -7.892 -3.825 1.00 0.00 O ATOM 130 CB GLU A 8 -15.712 -6.758 -5.474 1.00 0.00 C ATOM 131 CG GLU A 8 -16.235 -6.334 -4.092 1.00 0.00 C ATOM 132 CD GLU A 8 -16.182 -4.807 -3.899 1.00 0.00 C ATOM 133 OE1 GLU A 8 -15.082 -4.259 -3.640 1.00 0.00 O ATOM 134 OE2 GLU A 8 -17.242 -4.143 -4.010 1.00 0.00 O ATOM 0 H GLU A 8 -14.711 -6.671 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.840 -5.693 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.234 -6.181 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.965 -7.805 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.262 -6.679 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.643 -6.818 -3.316 1.00 0.00 H new ATOM 141 N HIS A 9 -12.770 -8.606 -5.864 1.00 0.00 N ATOM 142 CA HIS A 9 -12.239 -9.899 -5.424 1.00 0.00 C ATOM 143 C HIS A 9 -10.790 -10.095 -5.868 1.00 0.00 C ATOM 144 O HIS A 9 -9.975 -10.586 -5.088 1.00 0.00 O ATOM 145 CB HIS A 9 -13.130 -11.010 -6.001 1.00 0.00 C ATOM 146 CG HIS A 9 -14.570 -10.946 -5.549 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.676 -10.844 -6.365 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.027 -10.939 -4.256 1.00 0.00 C ATOM 149 CE1 HIS A 9 -16.770 -10.792 -5.583 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.424 -10.851 -4.284 1.00 0.00 N ATOM 0 H HIS A 9 -12.608 -8.414 -6.853 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.246 -9.934 -4.335 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.100 -10.956 -7.089 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.715 -11.977 -5.718 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.414 -10.992 -3.368 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.784 -10.714 -5.947 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.053 -10.835 -3.481 1.00 0.00 H new ATOM 158 N THR A 10 -10.455 -9.698 -7.092 1.00 0.00 N ATOM 159 CA THR A 10 -9.087 -9.640 -7.565 1.00 0.00 C ATOM 160 C THR A 10 -8.558 -8.241 -7.281 1.00 0.00 C ATOM 161 O THR A 10 -9.166 -7.235 -7.658 1.00 0.00 O ATOM 162 CB THR A 10 -9.017 -9.967 -9.062 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.658 -11.215 -9.299 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.566 -10.059 -9.557 1.00 0.00 C ATOM 0 H THR A 10 -11.140 -9.405 -7.788 1.00 0.00 H new ATOM 0 HA THR A 10 -8.474 -10.380 -7.050 1.00 0.00 H new ATOM 0 HB THR A 10 -9.515 -9.163 -9.603 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.617 -11.427 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.559 -10.292 -10.622 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.064 -9.106 -9.391 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.044 -10.844 -9.010 1.00 0.00 H new ATOM 172 N VAL A 11 -7.363 -8.184 -6.709 1.00 0.00 N ATOM 173 CA VAL A 11 -6.535 -6.989 -6.635 1.00 0.00 C ATOM 174 C VAL A 11 -5.123 -7.451 -6.986 1.00 0.00 C ATOM 175 O VAL A 11 -4.812 -8.637 -6.851 1.00 0.00 O ATOM 176 CB VAL A 11 -6.674 -6.289 -5.257 1.00 0.00 C ATOM 177 CG1 VAL A 11 -8.135 -5.902 -4.969 1.00 0.00 C ATOM 178 CG2 VAL A 11 -6.194 -7.127 -4.067 1.00 0.00 C ATOM 0 H VAL A 11 -6.929 -8.996 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.843 -6.213 -7.336 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.032 -5.413 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.197 -5.414 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.489 -5.219 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.755 -6.799 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.328 -6.560 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.773 -8.049 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.139 -7.369 -4.194 1.00 0.00 H new ATOM 188 N LYS A 12 -4.260 -6.561 -7.469 1.00 0.00 N ATOM 189 CA LYS A 12 -2.878 -6.935 -7.738 1.00 0.00 C ATOM 190 C LYS A 12 -1.953 -5.809 -7.330 1.00 0.00 C ATOM 191 O LYS A 12 -2.399 -4.695 -7.068 1.00 0.00 O ATOM 192 CB LYS A 12 -2.699 -7.387 -9.198 1.00 0.00 C ATOM 193 CG LYS A 12 -2.664 -6.288 -10.251 1.00 0.00 C ATOM 194 CD LYS A 12 -2.396 -6.915 -11.628 1.00 0.00 C ATOM 195 CE LYS A 12 -2.089 -5.798 -12.626 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.479 -6.312 -13.883 1.00 0.00 N ATOM 0 H LYS A 12 -4.490 -5.590 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.607 -7.800 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.772 -7.956 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.511 -8.070 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.611 -5.748 -10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.887 -5.563 -10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.558 -7.610 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.263 -7.488 -11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.009 -5.264 -12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.413 -5.078 -12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.289 -5.518 -14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.587 -6.799 -13.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.134 -6.979 -14.339 1.00 0.00 H new ATOM 210 N PHE A 13 -0.666 -6.092 -7.302 1.00 0.00 N ATOM 211 CA PHE A 13 0.354 -5.114 -7.017 1.00 0.00 C ATOM 212 C PHE A 13 1.622 -5.504 -7.764 1.00 0.00 C ATOM 213 O PHE A 13 1.772 -6.640 -8.223 1.00 0.00 O ATOM 214 CB PHE A 13 0.547 -5.010 -5.497 1.00 0.00 C ATOM 215 CG PHE A 13 0.915 -6.280 -4.768 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.084 -7.163 -4.320 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.262 -6.526 -4.457 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.261 -8.265 -3.520 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.603 -7.610 -3.636 1.00 0.00 C ATOM 220 CZ PHE A 13 1.601 -8.463 -3.140 1.00 0.00 C ATOM 0 H PHE A 13 -0.298 -7.026 -7.480 1.00 0.00 H new ATOM 0 HA PHE A 13 0.066 -4.121 -7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.324 -4.270 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.376 -4.625 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.116 -6.994 -4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.034 -5.881 -4.850 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.501 -8.959 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.638 -7.790 -3.384 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.860 -9.269 -2.469 1.00 0.00 H new ATOM 230 N TYR A 14 2.548 -4.562 -7.868 1.00 0.00 N ATOM 231 CA TYR A 14 3.866 -4.762 -8.408 1.00 0.00 C ATOM 232 C TYR A 14 4.838 -4.276 -7.345 1.00 0.00 C ATOM 233 O TYR A 14 4.580 -3.292 -6.643 1.00 0.00 O ATOM 234 CB TYR A 14 3.991 -4.037 -9.746 1.00 0.00 C ATOM 235 CG TYR A 14 5.425 -3.983 -10.200 1.00 0.00 C ATOM 236 CD1 TYR A 14 6.027 -5.132 -10.733 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.189 -2.837 -9.931 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.398 -5.143 -11.024 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.568 -2.837 -10.215 1.00 0.00 C ATOM 240 CZ TYR A 14 8.177 -3.989 -10.774 1.00 0.00 C ATOM 241 OH TYR A 14 9.510 -4.007 -11.068 1.00 0.00 O ATOM 0 H TYR A 14 2.386 -3.602 -7.564 1.00 0.00 H new ATOM 0 HA TYR A 14 4.084 -5.807 -8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.387 -4.546 -10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.597 -3.025 -9.653 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.431 -6.013 -10.920 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.722 -1.960 -9.508 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.858 -6.029 -11.437 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.162 -1.959 -10.007 1.00 0.00 H new ATOM 0 HH TYR A 14 9.907 -3.140 -10.841 1.00 0.00 H new ATOM 251 N MET A 15 5.940 -4.999 -7.197 1.00 0.00 N ATOM 252 CA MET A 15 6.854 -4.855 -6.089 1.00 0.00 C ATOM 253 C MET A 15 8.263 -4.967 -6.639 1.00 0.00 C ATOM 254 O MET A 15 8.719 -6.053 -6.997 1.00 0.00 O ATOM 255 CB MET A 15 6.552 -5.950 -5.062 1.00 0.00 C ATOM 256 CG MET A 15 7.190 -5.669 -3.722 1.00 0.00 C ATOM 257 SD MET A 15 6.628 -6.809 -2.440 1.00 0.00 S ATOM 258 CE MET A 15 6.649 -5.673 -1.034 1.00 0.00 C ATOM 0 H MET A 15 6.223 -5.717 -7.864 1.00 0.00 H new ATOM 0 HA MET A 15 6.747 -3.891 -5.591 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.473 -6.040 -4.937 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.910 -6.908 -5.439 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.274 -5.739 -3.817 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.961 -4.647 -3.421 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.345 -6.204 -0.132 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.656 -5.278 -0.900 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.959 -4.850 -1.221 1.00 0.00 H new ATOM 268 N SER A 16 8.943 -3.833 -6.736 1.00 0.00 N ATOM 269 CA SER A 16 10.346 -3.796 -7.117 1.00 0.00 C ATOM 270 C SER A 16 11.151 -4.452 -5.994 1.00 0.00 C ATOM 271 O SER A 16 10.771 -4.347 -4.822 1.00 0.00 O ATOM 272 CB SER A 16 10.800 -2.351 -7.342 1.00 0.00 C ATOM 273 OG SER A 16 9.824 -1.598 -8.049 1.00 0.00 O ATOM 0 H SER A 16 8.538 -2.915 -6.553 1.00 0.00 H new ATOM 0 HA SER A 16 10.502 -4.335 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.998 -1.878 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.737 -2.346 -7.899 1.00 0.00 H new ATOM 0 HG SER A 16 9.264 -2.204 -8.578 1.00 0.00 H new ATOM 279 N TYR A 17 12.272 -5.093 -6.328 1.00 0.00 N ATOM 280 CA TYR A 17 13.097 -5.793 -5.349 1.00 0.00 C ATOM 281 C TYR A 17 13.453 -4.919 -4.158 1.00 0.00 C ATOM 282 O TYR A 17 13.352 -5.378 -3.026 1.00 0.00 O ATOM 283 CB TYR A 17 14.371 -6.334 -5.998 1.00 0.00 C ATOM 284 CG TYR A 17 14.174 -7.377 -7.080 1.00 0.00 C ATOM 285 CD1 TYR A 17 13.109 -8.301 -7.021 1.00 0.00 C ATOM 286 CD2 TYR A 17 15.104 -7.450 -8.133 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.986 -9.296 -8.003 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.996 -8.456 -9.106 1.00 0.00 C ATOM 289 CZ TYR A 17 13.940 -9.393 -9.044 1.00 0.00 C ATOM 290 OH TYR A 17 13.858 -10.374 -9.987 1.00 0.00 O ATOM 0 H TYR A 17 12.630 -5.140 -7.282 1.00 0.00 H new ATOM 0 HA TYR A 17 12.500 -6.626 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.922 -5.496 -6.425 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.999 -6.763 -5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.388 -8.242 -6.219 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.905 -6.728 -8.193 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.160 -9.991 -7.964 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.722 -8.514 -9.904 1.00 0.00 H new ATOM 0 HH TYR A 17 13.333 -10.052 -10.749 1.00 0.00 H new ATOM 300 N GLY A 18 13.803 -3.652 -4.373 1.00 0.00 N ATOM 301 CA GLY A 18 14.258 -2.828 -3.269 1.00 0.00 C ATOM 302 C GLY A 18 13.141 -2.395 -2.320 1.00 0.00 C ATOM 303 O GLY A 18 13.450 -1.959 -1.214 1.00 0.00 O ATOM 0 H GLY A 18 13.780 -3.188 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.010 -3.378 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.747 -1.940 -3.669 1.00 0.00 H new ATOM 307 N ASP A 19 11.859 -2.573 -2.671 1.00 0.00 N ATOM 308 CA ASP A 19 10.770 -2.440 -1.693 1.00 0.00 C ATOM 309 C ASP A 19 10.905 -3.538 -0.637 1.00 0.00 C ATOM 310 O ASP A 19 10.766 -3.299 0.559 1.00 0.00 O ATOM 311 CB ASP A 19 9.400 -2.567 -2.381 1.00 0.00 C ATOM 312 CG ASP A 19 8.280 -1.957 -1.530 1.00 0.00 C ATOM 313 OD1 ASP A 19 7.778 -2.633 -0.607 1.00 0.00 O ATOM 314 OD2 ASP A 19 7.859 -0.817 -1.836 1.00 0.00 O ATOM 0 H ASP A 19 11.553 -2.807 -3.615 1.00 0.00 H new ATOM 0 HA ASP A 19 10.838 -1.457 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.432 -2.070 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.183 -3.619 -2.569 1.00 0.00 H new ATOM 319 N ILE A 20 11.238 -4.746 -1.096 1.00 0.00 N ATOM 320 CA ILE A 20 11.427 -5.933 -0.274 1.00 0.00 C ATOM 321 C ILE A 20 12.735 -5.764 0.520 1.00 0.00 C ATOM 322 O ILE A 20 12.757 -6.039 1.722 1.00 0.00 O ATOM 323 CB ILE A 20 11.364 -7.181 -1.197 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.973 -7.297 -1.868 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.652 -8.473 -0.432 1.00 0.00 C ATOM 326 CD1 ILE A 20 10.006 -7.905 -3.275 1.00 0.00 C ATOM 0 H ILE A 20 11.388 -4.926 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 20 10.642 -6.074 0.469 1.00 0.00 H new ATOM 0 HB ILE A 20 12.133 -7.047 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.326 -7.905 -1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.524 -6.305 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.598 -9.320 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.649 -8.423 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.915 -8.598 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.993 -7.952 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.625 -7.286 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.424 -8.911 -3.227 1.00 0.00 H new ATOM 338 N GLU A 21 13.794 -5.233 -0.110 1.00 0.00 N ATOM 339 CA GLU A 21 15.057 -4.959 0.573 1.00 0.00 C ATOM 340 C GLU A 21 14.883 -3.921 1.691 1.00 0.00 C ATOM 341 O GLU A 21 15.549 -4.022 2.719 1.00 0.00 O ATOM 342 CB GLU A 21 16.139 -4.414 -0.377 1.00 0.00 C ATOM 343 CG GLU A 21 16.497 -5.291 -1.583 1.00 0.00 C ATOM 344 CD GLU A 21 17.758 -4.774 -2.301 1.00 0.00 C ATOM 345 OE1 GLU A 21 17.641 -3.916 -3.209 1.00 0.00 O ATOM 346 OE2 GLU A 21 18.879 -5.232 -1.968 1.00 0.00 O ATOM 0 H GLU A 21 13.795 -4.985 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 21 15.370 -5.921 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.810 -3.443 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.047 -4.244 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.660 -6.317 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.661 -5.310 -2.282 1.00 0.00 H new ATOM 353 N ASP A 22 14.014 -2.921 1.511 1.00 0.00 N ATOM 354 CA ASP A 22 13.840 -1.831 2.477 1.00 0.00 C ATOM 355 C ASP A 22 13.283 -2.348 3.795 1.00 0.00 C ATOM 356 O ASP A 22 13.718 -1.962 4.883 1.00 0.00 O ATOM 357 CB ASP A 22 12.862 -0.788 1.944 1.00 0.00 C ATOM 358 CG ASP A 22 12.760 0.401 2.911 1.00 0.00 C ATOM 359 OD1 ASP A 22 13.727 1.199 2.992 1.00 0.00 O ATOM 360 OD2 ASP A 22 11.713 0.557 3.584 1.00 0.00 O ATOM 0 H ASP A 22 13.411 -2.844 0.692 1.00 0.00 H new ATOM 0 HA ASP A 22 14.824 -1.389 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.191 -0.440 0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.879 -1.239 1.809 1.00 0.00 H new ATOM 365 N ARG A 23 12.336 -3.275 3.668 1.00 0.00 N ATOM 366 CA ARG A 23 11.737 -4.010 4.774 1.00 0.00 C ATOM 367 C ARG A 23 12.767 -4.939 5.432 1.00 0.00 C ATOM 368 O ARG A 23 12.517 -5.444 6.528 1.00 0.00 O ATOM 369 CB ARG A 23 10.528 -4.800 4.245 1.00 0.00 C ATOM 370 CG ARG A 23 9.438 -3.926 3.610 1.00 0.00 C ATOM 371 CD ARG A 23 8.538 -4.748 2.676 1.00 0.00 C ATOM 372 NE ARG A 23 7.652 -3.862 1.909 1.00 0.00 N ATOM 373 CZ ARG A 23 6.586 -3.188 2.351 1.00 0.00 C ATOM 374 NH1 ARG A 23 6.107 -3.365 3.581 1.00 0.00 N ATOM 375 NH2 ARG A 23 6.026 -2.322 1.521 1.00 0.00 N ATOM 0 H ARG A 23 11.953 -3.542 2.761 1.00 0.00 H new ATOM 0 HA ARG A 23 11.401 -3.312 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.875 -5.523 3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.091 -5.368 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.833 -3.470 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.901 -3.113 3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.152 -5.338 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.944 -5.451 3.259 1.00 0.00 H new ATOM 0 HE ARG A 23 7.877 -3.748 0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.556 -4.029 4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.292 -2.837 3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.410 -2.191 0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.210 -1.786 1.817 1.00 0.00 H new ATOM 389 N GLY A 24 13.899 -5.194 4.770 1.00 0.00 N ATOM 390 CA GLY A 24 14.935 -6.113 5.216 1.00 0.00 C ATOM 391 C GLY A 24 14.626 -7.574 4.879 1.00 0.00 C ATOM 392 O GLY A 24 15.303 -8.475 5.384 1.00 0.00 O ATOM 0 H GLY A 24 14.121 -4.748 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.883 -5.833 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.061 -6.014 6.294 1.00 0.00 H new ATOM 396 N PHE A 25 13.611 -7.822 4.046 1.00 0.00 N ATOM 397 CA PHE A 25 13.319 -9.131 3.464 1.00 0.00 C ATOM 398 C PHE A 25 14.215 -9.284 2.220 1.00 0.00 C ATOM 399 O PHE A 25 15.040 -8.412 1.920 1.00 0.00 O ATOM 400 CB PHE A 25 11.805 -9.235 3.150 1.00 0.00 C ATOM 401 CG PHE A 25 10.859 -9.198 4.353 1.00 0.00 C ATOM 402 CD1 PHE A 25 10.797 -8.046 5.155 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.999 -10.275 4.663 1.00 0.00 C ATOM 404 CE1 PHE A 25 9.962 -7.973 6.274 1.00 0.00 C ATOM 405 CE2 PHE A 25 9.156 -10.203 5.785 1.00 0.00 C ATOM 406 CZ PHE A 25 9.144 -9.063 6.604 1.00 0.00 C ATOM 0 H PHE A 25 12.955 -7.099 3.752 1.00 0.00 H new ATOM 0 HA PHE A 25 13.539 -9.949 4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.538 -8.418 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.631 -10.164 2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.411 -7.194 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.989 -11.155 4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.947 -7.080 6.882 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.509 -11.035 6.020 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.512 -9.026 7.479 1.00 0.00 H new ATOM 416 N ASP A 26 14.052 -10.373 1.464 1.00 0.00 N ATOM 417 CA ASP A 26 14.720 -10.534 0.174 1.00 0.00 C ATOM 418 C ASP A 26 13.737 -11.151 -0.806 1.00 0.00 C ATOM 419 O ASP A 26 12.810 -11.852 -0.404 1.00 0.00 O ATOM 420 CB ASP A 26 15.974 -11.412 0.276 1.00 0.00 C ATOM 421 CG ASP A 26 17.045 -10.977 -0.746 1.00 0.00 C ATOM 422 OD1 ASP A 26 16.695 -10.741 -1.929 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.240 -10.891 -0.371 1.00 0.00 O ATOM 0 H ASP A 26 13.459 -11.160 1.727 1.00 0.00 H new ATOM 0 HA ASP A 26 15.044 -9.552 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.383 -11.350 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.706 -12.455 0.104 1.00 0.00 H new ATOM 428 N ARG A 27 13.936 -10.898 -2.092 1.00 0.00 N ATOM 429 CA ARG A 27 13.015 -11.266 -3.166 1.00 0.00 C ATOM 430 C ARG A 27 12.777 -12.770 -3.279 1.00 0.00 C ATOM 431 O ARG A 27 11.699 -13.172 -3.704 1.00 0.00 O ATOM 432 CB ARG A 27 13.546 -10.651 -4.473 1.00 0.00 C ATOM 433 CG ARG A 27 14.849 -11.319 -4.954 1.00 0.00 C ATOM 434 CD ARG A 27 15.792 -10.335 -5.658 1.00 0.00 C ATOM 435 NE ARG A 27 16.992 -11.008 -6.188 1.00 0.00 N ATOM 436 CZ ARG A 27 18.127 -11.298 -5.529 1.00 0.00 C ATOM 437 NH1 ARG A 27 18.247 -11.107 -4.214 1.00 0.00 N ATOM 438 NH2 ARG A 27 19.161 -11.788 -6.211 1.00 0.00 N ATOM 0 H ARG A 27 14.769 -10.416 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 27 12.028 -10.864 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.786 -10.744 -5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.721 -9.586 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.363 -11.761 -4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.605 -12.134 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.261 -9.844 -6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.092 -9.556 -4.958 1.00 0.00 H new ATOM 0 HE ARG A 27 16.957 -11.286 -7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.464 -10.731 -3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.122 -11.337 -3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.084 -11.937 -7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.030 -12.014 -5.727 1.00 0.00 H new ATOM 452 N GLU A 28 13.758 -13.591 -2.901 1.00 0.00 N ATOM 453 CA GLU A 28 13.595 -15.038 -2.829 1.00 0.00 C ATOM 454 C GLU A 28 13.123 -15.415 -1.428 1.00 0.00 C ATOM 455 O GLU A 28 12.214 -16.222 -1.270 1.00 0.00 O ATOM 456 CB GLU A 28 14.928 -15.725 -3.161 1.00 0.00 C ATOM 457 CG GLU A 28 15.379 -15.460 -4.601 1.00 0.00 C ATOM 458 CD GLU A 28 16.619 -16.293 -4.968 1.00 0.00 C ATOM 459 OE1 GLU A 28 17.760 -15.870 -4.646 1.00 0.00 O ATOM 460 OE2 GLU A 28 16.470 -17.368 -5.602 1.00 0.00 O ATOM 0 H GLU A 28 14.688 -13.268 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 28 12.851 -15.369 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.696 -15.374 -2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.828 -16.799 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.565 -15.696 -5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.602 -14.400 -4.724 1.00 0.00 H new ATOM 467 N GLU A 29 13.711 -14.802 -0.398 1.00 0.00 N ATOM 468 CA GLU A 29 13.468 -15.135 1.002 1.00 0.00 C ATOM 469 C GLU A 29 12.012 -14.981 1.398 1.00 0.00 C ATOM 470 O GLU A 29 11.523 -15.778 2.194 1.00 0.00 O ATOM 471 CB GLU A 29 14.334 -14.231 1.881 1.00 0.00 C ATOM 472 CG GLU A 29 15.814 -14.584 1.803 1.00 0.00 C ATOM 473 CD GLU A 29 16.144 -15.943 2.459 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.857 -16.136 3.665 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.684 -16.834 1.762 1.00 0.00 O ATOM 0 H GLU A 29 14.383 -14.045 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 29 13.727 -16.184 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.195 -13.193 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.000 -14.308 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.122 -14.607 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.395 -13.801 2.290 1.00 0.00 H new ATOM 482 N ILE A 30 11.336 -13.996 0.812 1.00 0.00 N ATOM 483 CA ILE A 30 9.878 -13.849 0.854 1.00 0.00 C ATOM 484 C ILE A 30 9.223 -15.220 0.653 1.00 0.00 C ATOM 485 O ILE A 30 8.490 -15.682 1.522 1.00 0.00 O ATOM 486 CB ILE A 30 9.414 -12.818 -0.200 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.756 -11.391 0.275 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.929 -12.910 -0.608 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.699 -10.666 1.134 1.00 0.00 C ATOM 0 H ILE A 30 11.796 -13.257 0.280 1.00 0.00 H new ATOM 0 HA ILE A 30 9.569 -13.470 1.828 1.00 0.00 H new ATOM 0 HB ILE A 30 9.965 -13.066 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.683 -11.437 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.954 -10.780 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.708 -12.144 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.728 -13.894 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.300 -12.757 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.064 -9.674 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.772 -10.572 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.512 -11.240 2.042 1.00 0.00 H new ATOM 501 N TRP A 31 9.503 -15.885 -0.465 1.00 0.00 N ATOM 502 CA TRP A 31 8.837 -17.126 -0.852 1.00 0.00 C ATOM 503 C TRP A 31 9.288 -18.314 -0.002 1.00 0.00 C ATOM 504 O TRP A 31 8.490 -19.215 0.266 1.00 0.00 O ATOM 505 CB TRP A 31 9.108 -17.398 -2.332 1.00 0.00 C ATOM 506 CG TRP A 31 8.748 -16.253 -3.228 1.00 0.00 C ATOM 507 CD1 TRP A 31 9.634 -15.524 -3.936 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.444 -15.636 -3.468 1.00 0.00 C ATOM 509 NE1 TRP A 31 8.989 -14.474 -4.554 1.00 0.00 N ATOM 510 CE2 TRP A 31 7.637 -14.476 -4.276 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.118 -15.934 -3.085 1.00 0.00 C ATOM 512 CZ2 TRP A 31 6.578 -13.628 -4.638 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.041 -15.122 -3.501 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.266 -13.964 -4.261 1.00 0.00 C ATOM 0 H TRP A 31 10.206 -15.574 -1.135 1.00 0.00 H new ATOM 0 HA TRP A 31 7.767 -17.005 -0.683 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.165 -17.632 -2.462 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.546 -18.280 -2.640 1.00 0.00 H new ATOM 0 HD1 TRP A 31 10.691 -15.732 -4.008 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.453 -13.782 -5.143 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.925 -16.796 -2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.770 -12.726 -5.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.032 -15.395 -3.231 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.438 -13.336 -4.554 1.00 0.00 H new ATOM 525 N TYR A 32 10.556 -18.322 0.425 1.00 0.00 N ATOM 526 CA TYR A 32 11.188 -19.489 1.035 1.00 0.00 C ATOM 527 C TYR A 32 11.156 -19.462 2.571 1.00 0.00 C ATOM 528 O TYR A 32 11.685 -20.371 3.216 1.00 0.00 O ATOM 529 CB TYR A 32 12.588 -19.665 0.427 1.00 0.00 C ATOM 530 CG TYR A 32 12.550 -19.879 -1.076 1.00 0.00 C ATOM 531 CD1 TYR A 32 11.808 -20.947 -1.617 1.00 0.00 C ATOM 532 CD2 TYR A 32 13.195 -18.976 -1.937 1.00 0.00 C ATOM 533 CE1 TYR A 32 11.697 -21.097 -3.008 1.00 0.00 C ATOM 534 CE2 TYR A 32 13.050 -19.091 -3.330 1.00 0.00 C ATOM 535 CZ TYR A 32 12.302 -20.158 -3.878 1.00 0.00 C ATOM 536 OH TYR A 32 12.155 -20.298 -5.230 1.00 0.00 O ATOM 0 H TYR A 32 11.173 -17.513 0.355 1.00 0.00 H new ATOM 0 HA TYR A 32 10.607 -20.380 0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.190 -18.784 0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.081 -20.515 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.323 -21.653 -0.959 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.807 -18.187 -1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.148 -21.932 -3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.510 -18.364 -3.982 1.00 0.00 H new ATOM 0 HH TYR A 32 12.629 -19.573 -5.687 1.00 0.00 H new ATOM 546 N ASN A 33 10.491 -18.467 3.164 1.00 0.00 N ATOM 547 CA ASN A 33 10.204 -18.354 4.585 1.00 0.00 C ATOM 548 C ASN A 33 8.700 -18.101 4.677 1.00 0.00 C ATOM 549 O ASN A 33 8.271 -16.951 4.605 1.00 0.00 O ATOM 550 CB ASN A 33 10.988 -17.181 5.181 1.00 0.00 C ATOM 551 CG ASN A 33 12.492 -17.396 5.219 1.00 0.00 C ATOM 552 OD1 ASN A 33 13.043 -17.990 6.145 1.00 0.00 O ATOM 553 ND2 ASN A 33 13.174 -16.882 4.214 1.00 0.00 N ATOM 0 H ASN A 33 10.121 -17.679 2.632 1.00 0.00 H new ATOM 0 HA ASN A 33 10.492 -19.248 5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.775 -16.283 4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.632 -16.998 6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.190 -16.971 4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.686 -16.396 3.462 1.00 0.00 H new ATOM 560 N ARG A 34 7.886 -19.162 4.738 1.00 0.00 N ATOM 561 CA ARG A 34 6.429 -19.082 4.553 1.00 0.00 C ATOM 562 C ARG A 34 5.760 -18.003 5.407 1.00 0.00 C ATOM 563 O ARG A 34 4.878 -17.286 4.930 1.00 0.00 O ATOM 564 CB ARG A 34 5.804 -20.461 4.797 1.00 0.00 C ATOM 565 CG ARG A 34 4.292 -20.416 4.573 1.00 0.00 C ATOM 566 CD ARG A 34 3.733 -21.830 4.502 1.00 0.00 C ATOM 567 NE ARG A 34 4.040 -22.504 3.225 1.00 0.00 N ATOM 568 CZ ARG A 34 3.752 -23.778 2.923 1.00 0.00 C ATOM 569 NH1 ARG A 34 3.129 -24.561 3.802 1.00 0.00 N ATOM 570 NH2 ARG A 34 4.092 -24.268 1.733 1.00 0.00 N ATOM 0 H ARG A 34 8.221 -20.108 4.918 1.00 0.00 H new ATOM 0 HA ARG A 34 6.251 -18.778 3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.254 -21.194 4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.016 -20.787 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.812 -19.867 5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.069 -19.881 3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.140 -22.418 5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.652 -21.796 4.639 1.00 0.00 H new ATOM 0 HE ARG A 34 4.513 -21.952 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.866 -24.193 4.716 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.915 -25.529 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.570 -23.675 1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.875 -25.237 1.499 1.00 0.00 H new ATOM 584 N GLU A 35 6.149 -17.879 6.673 1.00 0.00 N ATOM 585 CA GLU A 35 5.534 -16.905 7.558 1.00 0.00 C ATOM 586 C GLU A 35 5.971 -15.480 7.200 1.00 0.00 C ATOM 587 O GLU A 35 5.199 -14.534 7.358 1.00 0.00 O ATOM 588 CB GLU A 35 5.799 -17.248 9.036 1.00 0.00 C ATOM 589 CG GLU A 35 7.262 -17.194 9.515 1.00 0.00 C ATOM 590 CD GLU A 35 8.088 -18.417 9.072 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.607 -18.415 7.930 1.00 0.00 O ATOM 592 OE2 GLU A 35 8.216 -19.386 9.860 1.00 0.00 O ATOM 0 H GLU A 35 6.884 -18.440 7.104 1.00 0.00 H new ATOM 0 HA GLU A 35 4.454 -16.950 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.215 -16.564 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.418 -18.252 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.731 -16.288 9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.280 -17.126 10.603 1.00 0.00 H new ATOM 599 N ARG A 36 7.187 -15.319 6.671 1.00 0.00 N ATOM 600 CA ARG A 36 7.695 -14.036 6.226 1.00 0.00 C ATOM 601 C ARG A 36 7.151 -13.675 4.847 1.00 0.00 C ATOM 602 O ARG A 36 7.190 -12.495 4.495 1.00 0.00 O ATOM 603 CB ARG A 36 9.218 -14.043 6.242 1.00 0.00 C ATOM 604 CG ARG A 36 9.848 -14.186 7.642 1.00 0.00 C ATOM 605 CD ARG A 36 9.180 -13.331 8.734 1.00 0.00 C ATOM 606 NE ARG A 36 9.887 -13.431 10.021 1.00 0.00 N ATOM 607 CZ ARG A 36 9.390 -13.075 11.216 1.00 0.00 C ATOM 608 NH1 ARG A 36 8.162 -12.573 11.337 1.00 0.00 N ATOM 609 NH2 ARG A 36 10.142 -13.227 12.303 1.00 0.00 N ATOM 0 H ARG A 36 7.845 -16.087 6.542 1.00 0.00 H new ATOM 0 HA ARG A 36 7.350 -13.267 6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.570 -14.862 5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.577 -13.118 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.804 -15.233 7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.902 -13.916 7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.155 -12.289 8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.146 -13.650 8.863 1.00 0.00 H new ATOM 0 HE ARG A 36 10.837 -13.803 10.003 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.577 -12.452 10.510 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.807 -12.310 12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.084 -13.610 12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.777 -12.960 13.217 1.00 0.00 H new ATOM 623 N SER A 37 6.620 -14.626 4.077 1.00 0.00 N ATOM 624 CA SER A 37 5.868 -14.256 2.889 1.00 0.00 C ATOM 625 C SER A 37 4.642 -13.467 3.337 1.00 0.00 C ATOM 626 O SER A 37 4.400 -12.386 2.815 1.00 0.00 O ATOM 627 CB SER A 37 5.450 -15.450 2.013 1.00 0.00 C ATOM 628 OG SER A 37 6.197 -16.621 2.262 1.00 0.00 O ATOM 0 H SER A 37 6.695 -15.628 4.251 1.00 0.00 H new ATOM 0 HA SER A 37 6.521 -13.656 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.394 -15.660 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.559 -15.176 0.964 1.00 0.00 H new ATOM 0 HG SER A 37 7.146 -16.392 2.346 1.00 0.00 H new ATOM 634 N GLU A 38 3.898 -13.979 4.321 1.00 0.00 N ATOM 635 CA GLU A 38 2.588 -13.493 4.721 1.00 0.00 C ATOM 636 C GLU A 38 2.596 -11.995 5.052 1.00 0.00 C ATOM 637 O GLU A 38 1.632 -11.298 4.739 1.00 0.00 O ATOM 638 CB GLU A 38 2.102 -14.346 5.903 1.00 0.00 C ATOM 639 CG GLU A 38 0.578 -14.432 5.906 1.00 0.00 C ATOM 640 CD GLU A 38 0.055 -15.207 7.130 1.00 0.00 C ATOM 641 OE1 GLU A 38 0.039 -16.461 7.100 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.369 -14.565 8.122 1.00 0.00 O ATOM 0 H GLU A 38 4.210 -14.774 4.878 1.00 0.00 H new ATOM 0 HA GLU A 38 1.894 -13.595 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.529 -15.347 5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.450 -13.912 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.157 -13.427 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.239 -14.921 4.993 1.00 0.00 H new ATOM 649 N GLU A 39 3.684 -11.484 5.629 1.00 0.00 N ATOM 650 CA GLU A 39 3.846 -10.087 6.014 1.00 0.00 C ATOM 651 C GLU A 39 3.654 -9.146 4.815 1.00 0.00 C ATOM 652 O GLU A 39 3.123 -8.042 4.964 1.00 0.00 O ATOM 653 CB GLU A 39 5.254 -9.858 6.601 1.00 0.00 C ATOM 654 CG GLU A 39 5.918 -11.019 7.344 1.00 0.00 C ATOM 655 CD GLU A 39 5.341 -11.381 8.728 1.00 0.00 C ATOM 656 OE1 GLU A 39 4.146 -11.125 9.011 1.00 0.00 O ATOM 657 OE2 GLU A 39 6.122 -11.903 9.562 1.00 0.00 O ATOM 0 H GLU A 39 4.502 -12.052 5.847 1.00 0.00 H new ATOM 0 HA GLU A 39 3.084 -9.865 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.913 -9.563 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.197 -9.012 7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.861 -11.904 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.975 -10.783 7.468 1.00 0.00 H new ATOM 664 N LEU A 40 4.082 -9.600 3.631 1.00 0.00 N ATOM 665 CA LEU A 40 3.904 -8.899 2.364 1.00 0.00 C ATOM 666 C LEU A 40 2.404 -8.668 2.150 1.00 0.00 C ATOM 667 O LEU A 40 1.932 -7.547 1.966 1.00 0.00 O ATOM 668 CB LEU A 40 4.517 -9.737 1.218 1.00 0.00 C ATOM 669 CG LEU A 40 4.624 -9.126 -0.201 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.221 -10.174 -1.244 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.843 -7.827 -0.428 1.00 0.00 C ATOM 0 H LEU A 40 4.574 -10.488 3.530 1.00 0.00 H new ATOM 0 HA LEU A 40 4.413 -7.935 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.522 -10.025 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.933 -10.654 1.136 1.00 0.00 H new ATOM 0 HG LEU A 40 5.670 -8.839 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.297 -9.742 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.885 -11.035 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.194 -10.491 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.989 -7.489 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.782 -8.005 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.201 -7.062 0.261 1.00 0.00 H new ATOM 683 N PHE A 41 1.642 -9.751 2.205 1.00 0.00 N ATOM 684 CA PHE A 41 0.223 -9.773 1.904 1.00 0.00 C ATOM 685 C PHE A 41 -0.558 -8.965 2.934 1.00 0.00 C ATOM 686 O PHE A 41 -1.484 -8.239 2.577 1.00 0.00 O ATOM 687 CB PHE A 41 -0.251 -11.223 1.822 1.00 0.00 C ATOM 688 CG PHE A 41 0.552 -11.977 0.788 1.00 0.00 C ATOM 689 CD1 PHE A 41 1.771 -12.566 1.155 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.161 -11.963 -0.558 1.00 0.00 C ATOM 691 CE1 PHE A 41 2.580 -13.186 0.188 1.00 0.00 C ATOM 692 CE2 PHE A 41 0.971 -12.576 -1.526 1.00 0.00 C ATOM 693 CZ PHE A 41 2.175 -13.200 -1.157 1.00 0.00 C ATOM 0 H PHE A 41 2.008 -10.666 2.469 1.00 0.00 H new ATOM 0 HA PHE A 41 0.042 -9.302 0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.146 -11.703 2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.310 -11.253 1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.089 -12.543 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.761 -11.482 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.511 -13.651 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.667 -12.568 -2.562 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.785 -13.687 -1.903 1.00 0.00 H new ATOM 703 N TRP A 42 -0.145 -9.037 4.197 1.00 0.00 N ATOM 704 CA TRP A 42 -0.704 -8.198 5.236 1.00 0.00 C ATOM 705 C TRP A 42 -0.553 -6.709 4.917 1.00 0.00 C ATOM 706 O TRP A 42 -1.491 -5.964 5.191 1.00 0.00 O ATOM 707 CB TRP A 42 -0.097 -8.579 6.591 1.00 0.00 C ATOM 708 CG TRP A 42 -0.765 -9.770 7.209 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.225 -10.999 7.348 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.139 -9.885 7.695 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.151 -11.856 7.907 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.364 -11.233 8.113 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.231 -8.991 7.789 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.612 -11.669 8.590 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.486 -9.419 8.261 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.679 -10.755 8.658 1.00 0.00 C ATOM 0 H TRP A 42 0.581 -9.676 4.520 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.778 -8.375 5.287 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.965 -8.789 6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.174 -7.731 7.271 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.781 -11.271 7.064 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.961 -12.831 8.139 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.099 -7.961 7.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.750 -12.694 8.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.306 -8.718 8.319 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.646 -11.078 9.015 1.00 0.00 H new ATOM 727 N GLU A 43 0.544 -6.254 4.305 1.00 0.00 N ATOM 728 CA GLU A 43 0.723 -4.850 3.980 1.00 0.00 C ATOM 729 C GLU A 43 -0.256 -4.421 2.884 1.00 0.00 C ATOM 730 O GLU A 43 -0.846 -3.346 2.974 1.00 0.00 O ATOM 731 CB GLU A 43 2.172 -4.628 3.523 1.00 0.00 C ATOM 732 CG GLU A 43 2.527 -3.170 3.219 1.00 0.00 C ATOM 733 CD GLU A 43 2.832 -2.347 4.481 1.00 0.00 C ATOM 734 OE1 GLU A 43 1.927 -2.118 5.318 1.00 0.00 O ATOM 735 OE2 GLU A 43 4.003 -1.921 4.633 1.00 0.00 O ATOM 0 H GLU A 43 1.324 -6.849 4.026 1.00 0.00 H new ATOM 0 HA GLU A 43 0.521 -4.244 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.844 -4.998 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.353 -5.226 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.393 -3.144 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.701 -2.706 2.681 1.00 0.00 H new ATOM 742 N VAL A 44 -0.452 -5.233 1.839 1.00 0.00 N ATOM 743 CA VAL A 44 -1.283 -4.832 0.720 1.00 0.00 C ATOM 744 C VAL A 44 -2.759 -4.848 1.100 1.00 0.00 C ATOM 745 O VAL A 44 -3.505 -3.932 0.771 1.00 0.00 O ATOM 746 CB VAL A 44 -0.984 -5.695 -0.507 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.395 -5.336 -1.062 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.969 -7.202 -0.279 1.00 0.00 C ATOM 0 H VAL A 44 -0.045 -6.164 1.753 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.041 -3.803 0.456 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.809 -5.476 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.607 -5.952 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.410 -4.284 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.152 -5.516 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.747 -7.710 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.205 -7.451 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.944 -7.524 0.086 1.00 0.00 H new ATOM 758 N MET A 45 -3.181 -5.865 1.841 1.00 0.00 N ATOM 759 CA MET A 45 -4.497 -5.921 2.441 1.00 0.00 C ATOM 760 C MET A 45 -4.705 -4.732 3.381 1.00 0.00 C ATOM 761 O MET A 45 -5.779 -4.134 3.364 1.00 0.00 O ATOM 762 CB MET A 45 -4.630 -7.232 3.216 1.00 0.00 C ATOM 763 CG MET A 45 -4.661 -8.486 2.333 1.00 0.00 C ATOM 764 SD MET A 45 -6.196 -8.778 1.397 1.00 0.00 S ATOM 765 CE MET A 45 -5.792 -8.079 -0.230 1.00 0.00 C ATOM 0 H MET A 45 -2.606 -6.683 2.042 1.00 0.00 H new ATOM 0 HA MET A 45 -5.256 -5.875 1.660 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.797 -7.314 3.914 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.543 -7.198 3.811 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.835 -8.426 1.625 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.476 -9.354 2.966 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.669 -7.576 -0.638 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.978 -7.361 -0.126 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.486 -8.879 -0.904 1.00 0.00 H new ATOM 775 N ASP A 46 -3.701 -4.367 4.180 1.00 0.00 N ATOM 776 CA ASP A 46 -3.788 -3.198 5.053 1.00 0.00 C ATOM 777 C ASP A 46 -3.999 -1.917 4.244 1.00 0.00 C ATOM 778 O ASP A 46 -4.853 -1.095 4.579 1.00 0.00 O ATOM 779 CB ASP A 46 -2.546 -3.032 5.926 1.00 0.00 C ATOM 780 CG ASP A 46 -2.707 -1.789 6.813 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.451 -1.863 7.821 1.00 0.00 O ATOM 782 OD2 ASP A 46 -2.083 -0.738 6.526 1.00 0.00 O ATOM 0 H ASP A 46 -2.814 -4.868 4.240 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.647 -3.369 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.402 -3.918 6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.659 -2.933 5.300 1.00 0.00 H new ATOM 787 N GLU A 47 -3.276 -1.771 3.138 1.00 0.00 N ATOM 788 CA GLU A 47 -3.390 -0.679 2.197 1.00 0.00 C ATOM 789 C GLU A 47 -4.767 -0.665 1.487 1.00 0.00 C ATOM 790 O GLU A 47 -5.116 0.319 0.830 1.00 0.00 O ATOM 791 CB GLU A 47 -2.175 -0.840 1.270 1.00 0.00 C ATOM 792 CG GLU A 47 -2.215 -0.129 -0.072 1.00 0.00 C ATOM 793 CD GLU A 47 -2.319 1.411 -0.001 1.00 0.00 C ATOM 794 OE1 GLU A 47 -2.010 2.023 1.052 1.00 0.00 O ATOM 795 OE2 GLU A 47 -2.670 2.033 -1.034 1.00 0.00 O ATOM 0 H GLU A 47 -2.562 -2.448 2.867 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.368 0.302 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.293 -0.492 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.034 -1.904 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.316 -0.391 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.064 -0.508 -0.640 1.00 0.00 H new ATOM 802 N VAL A 48 -5.585 -1.702 1.676 1.00 0.00 N ATOM 803 CA VAL A 48 -6.937 -1.849 1.143 1.00 0.00 C ATOM 804 C VAL A 48 -7.951 -1.856 2.303 1.00 0.00 C ATOM 805 O VAL A 48 -9.154 -1.872 2.046 1.00 0.00 O ATOM 806 CB VAL A 48 -6.977 -3.127 0.257 1.00 0.00 C ATOM 807 CG1 VAL A 48 -8.365 -3.498 -0.295 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.074 -2.994 -0.981 1.00 0.00 C ATOM 0 H VAL A 48 -5.304 -2.506 2.237 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.217 -1.009 0.508 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.641 -3.901 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.287 -4.402 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.051 -3.673 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.742 -2.682 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.131 -3.908 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.406 -2.150 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.044 -2.830 -0.664 1.00 0.00 H new ATOM 818 N HIS A 49 -7.516 -1.814 3.569 1.00 0.00 N ATOM 819 CA HIS A 49 -8.355 -2.155 4.711 1.00 0.00 C ATOM 820 C HIS A 49 -9.645 -1.339 4.817 1.00 0.00 C ATOM 821 O HIS A 49 -10.632 -1.866 5.316 1.00 0.00 O ATOM 822 CB HIS A 49 -7.561 -2.114 6.017 1.00 0.00 C ATOM 823 CG HIS A 49 -8.252 -2.875 7.118 1.00 0.00 C ATOM 824 ND1 HIS A 49 -8.877 -2.354 8.229 1.00 0.00 N ATOM 825 CD2 HIS A 49 -8.432 -4.231 7.152 1.00 0.00 C ATOM 826 CE1 HIS A 49 -9.418 -3.378 8.918 1.00 0.00 C ATOM 827 NE2 HIS A 49 -9.171 -4.550 8.301 1.00 0.00 N ATOM 0 H HIS A 49 -6.567 -1.541 3.824 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.680 -3.180 4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.569 -2.535 5.852 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.421 -1.078 6.324 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.067 -4.936 6.419 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.973 -3.274 9.838 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.462 -5.479 8.607 1.00 0.00 H new ATOM 835 N GLU A 50 -9.682 -0.099 4.318 1.00 0.00 N ATOM 836 CA GLU A 50 -10.898 0.713 4.357 1.00 0.00 C ATOM 837 C GLU A 50 -12.047 0.119 3.520 1.00 0.00 C ATOM 838 O GLU A 50 -13.201 0.518 3.698 1.00 0.00 O ATOM 839 CB GLU A 50 -10.601 2.147 3.904 1.00 0.00 C ATOM 840 CG GLU A 50 -9.634 2.883 4.843 1.00 0.00 C ATOM 841 CD GLU A 50 -9.461 4.358 4.429 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.594 4.658 3.572 1.00 0.00 O ATOM 843 OE2 GLU A 50 -10.185 5.234 4.965 1.00 0.00 O ATOM 0 H GLU A 50 -8.883 0.362 3.883 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.233 0.719 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.178 2.125 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.536 2.704 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.008 2.832 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.665 2.385 4.833 1.00 0.00 H new ATOM 850 N GLU A 51 -11.760 -0.842 2.633 1.00 0.00 N ATOM 851 CA GLU A 51 -12.753 -1.641 1.930 1.00 0.00 C ATOM 852 C GLU A 51 -12.603 -3.132 2.265 1.00 0.00 C ATOM 853 O GLU A 51 -13.600 -3.855 2.336 1.00 0.00 O ATOM 854 CB GLU A 51 -12.655 -1.385 0.426 1.00 0.00 C ATOM 855 CG GLU A 51 -13.166 0.023 0.102 1.00 0.00 C ATOM 856 CD GLU A 51 -13.246 0.271 -1.412 1.00 0.00 C ATOM 857 OE1 GLU A 51 -14.285 -0.063 -2.031 1.00 0.00 O ATOM 858 OE2 GLU A 51 -12.269 0.771 -2.022 1.00 0.00 O ATOM 0 H GLU A 51 -10.802 -1.086 2.383 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.747 -1.341 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.621 -1.491 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.240 -2.127 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.152 0.162 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.506 0.762 0.556 1.00 0.00 H new ATOM 865 N GLU A 52 -11.383 -3.609 2.538 1.00 0.00 N ATOM 866 CA GLU A 52 -11.145 -4.963 3.020 1.00 0.00 C ATOM 867 C GLU A 52 -11.915 -5.236 4.323 1.00 0.00 C ATOM 868 O GLU A 52 -12.296 -6.380 4.552 1.00 0.00 O ATOM 869 CB GLU A 52 -9.637 -5.210 3.188 1.00 0.00 C ATOM 870 CG GLU A 52 -9.089 -6.307 2.277 1.00 0.00 C ATOM 871 CD GLU A 52 -9.502 -7.724 2.716 1.00 0.00 C ATOM 872 OE1 GLU A 52 -9.051 -8.189 3.790 1.00 0.00 O ATOM 873 OE2 GLU A 52 -10.253 -8.387 1.958 1.00 0.00 O ATOM 0 H GLU A 52 -10.532 -3.058 2.428 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.522 -5.666 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.101 -4.282 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.435 -5.477 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.438 -6.133 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.001 -6.243 2.256 1.00 0.00 H new ATOM 880 N GLU A 53 -12.226 -4.219 5.139 1.00 0.00 N ATOM 881 CA GLU A 53 -13.036 -4.364 6.351 1.00 0.00 C ATOM 882 C GLU A 53 -14.438 -4.953 6.093 1.00 0.00 C ATOM 883 O GLU A 53 -15.072 -5.418 7.045 1.00 0.00 O ATOM 884 CB GLU A 53 -13.131 -3.029 7.111 1.00 0.00 C ATOM 885 CG GLU A 53 -13.876 -1.925 6.340 1.00 0.00 C ATOM 886 CD GLU A 53 -14.049 -0.661 7.206 1.00 0.00 C ATOM 887 OE1 GLU A 53 -13.076 0.112 7.388 1.00 0.00 O ATOM 888 OE2 GLU A 53 -15.171 -0.434 7.724 1.00 0.00 O ATOM 0 H GLU A 53 -11.917 -3.262 4.971 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.516 -5.091 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.636 -3.199 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.124 -2.681 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.325 -1.675 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.854 -2.292 6.028 1.00 0.00 H new ATOM 895 N PHE A 54 -14.913 -4.979 4.839 1.00 0.00 N ATOM 896 CA PHE A 54 -16.173 -5.608 4.442 1.00 0.00 C ATOM 897 C PHE A 54 -15.958 -6.680 3.359 1.00 0.00 C ATOM 898 O PHE A 54 -16.927 -7.162 2.769 1.00 0.00 O ATOM 899 CB PHE A 54 -17.233 -4.546 4.084 1.00 0.00 C ATOM 900 CG PHE A 54 -16.901 -3.579 2.957 1.00 0.00 C ATOM 901 CD1 PHE A 54 -16.989 -3.992 1.611 1.00 0.00 C ATOM 902 CD2 PHE A 54 -16.578 -2.241 3.252 1.00 0.00 C ATOM 903 CE1 PHE A 54 -16.738 -3.076 0.573 1.00 0.00 C ATOM 904 CE2 PHE A 54 -16.344 -1.323 2.213 1.00 0.00 C ATOM 905 CZ PHE A 54 -16.421 -1.740 0.874 1.00 0.00 C ATOM 0 H PHE A 54 -14.417 -4.552 4.057 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.577 -6.151 5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -18.155 -5.065 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.440 -3.961 4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.250 -5.014 1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.510 -1.918 4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.789 -3.400 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.105 -0.296 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.237 -1.035 0.077 1.00 0.00 H new ATOM 915 N ALA A 55 -14.705 -7.098 3.137 1.00 0.00 N ATOM 916 CA ALA A 55 -14.341 -8.225 2.279 1.00 0.00 C ATOM 917 C ALA A 55 -13.503 -9.273 3.017 1.00 0.00 C ATOM 918 O ALA A 55 -13.202 -10.324 2.448 1.00 0.00 O ATOM 919 CB ALA A 55 -13.649 -7.719 1.008 1.00 0.00 C ATOM 0 H ALA A 55 -13.896 -6.646 3.563 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.259 -8.735 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.382 -8.567 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.325 -7.060 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.747 -7.170 1.279 1.00 0.00 H new ATOM 925 N VAL A 56 -13.177 -9.046 4.290 1.00 0.00 N ATOM 926 CA VAL A 56 -12.611 -10.034 5.190 1.00 0.00 C ATOM 927 C VAL A 56 -13.704 -11.009 5.659 1.00 0.00 C ATOM 928 O VAL A 56 -14.149 -11.006 6.806 1.00 0.00 O ATOM 929 CB VAL A 56 -11.768 -9.342 6.279 1.00 0.00 C ATOM 930 CG1 VAL A 56 -12.531 -8.383 7.203 1.00 0.00 C ATOM 931 CG2 VAL A 56 -11.023 -10.405 7.089 1.00 0.00 C ATOM 0 H VAL A 56 -13.307 -8.136 4.732 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.892 -10.677 4.682 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.071 -8.693 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.842 -7.953 7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.978 -7.585 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.316 -8.929 7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.425 -9.921 7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.743 -11.077 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.370 -10.975 6.428 1.00 0.00 H new ATOM 941 N GLU A 57 -14.192 -11.817 4.722 1.00 0.00 N ATOM 942 CA GLU A 57 -15.332 -12.705 4.919 1.00 0.00 C ATOM 943 C GLU A 57 -15.238 -13.922 3.980 1.00 0.00 C ATOM 944 O GLU A 57 -16.248 -14.511 3.583 1.00 0.00 O ATOM 945 CB GLU A 57 -16.628 -11.891 4.760 1.00 0.00 C ATOM 946 CG GLU A 57 -16.681 -11.047 3.476 1.00 0.00 C ATOM 947 CD GLU A 57 -18.124 -10.747 3.027 1.00 0.00 C ATOM 948 OE1 GLU A 57 -18.928 -10.214 3.833 1.00 0.00 O ATOM 949 OE2 GLU A 57 -18.464 -11.036 1.854 1.00 0.00 O ATOM 0 H GLU A 57 -13.796 -11.873 3.784 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.333 -13.118 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.478 -12.574 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.739 -11.232 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.152 -10.108 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.157 -11.573 2.678 1.00 0.00 H new ATOM 956 N GLY A 58 -14.013 -14.300 3.606 1.00 0.00 N ATOM 957 CA GLY A 58 -13.717 -15.433 2.742 1.00 0.00 C ATOM 958 C GLY A 58 -12.205 -15.646 2.633 1.00 0.00 C ATOM 959 O GLY A 58 -11.429 -14.893 3.236 1.00 0.00 O ATOM 0 H GLY A 58 -13.175 -13.805 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.189 -16.332 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.138 -15.262 1.751 1.00 0.00 H new ATOM 963 N PRO A 59 -11.783 -16.678 1.885 1.00 0.00 N ATOM 964 CA PRO A 59 -10.379 -17.037 1.702 1.00 0.00 C ATOM 965 C PRO A 59 -9.629 -15.996 0.858 1.00 0.00 C ATOM 966 O PRO A 59 -10.232 -15.091 0.271 1.00 0.00 O ATOM 967 CB PRO A 59 -10.408 -18.415 1.033 1.00 0.00 C ATOM 968 CG PRO A 59 -11.726 -18.403 0.269 1.00 0.00 C ATOM 969 CD PRO A 59 -12.648 -17.604 1.172 1.00 0.00 C ATOM 0 HA PRO A 59 -9.839 -17.064 2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.557 -18.557 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.375 -19.220 1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.619 -17.936 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.103 -19.412 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.401 -17.071 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.181 -18.255 1.864 1.00 0.00 H new ATOM 977 N LEU A 60 -8.310 -16.173 0.736 1.00 0.00 N ATOM 978 CA LEU A 60 -7.446 -15.419 -0.170 1.00 0.00 C ATOM 979 C LEU A 60 -6.636 -16.424 -0.986 1.00 0.00 C ATOM 980 O LEU A 60 -6.346 -17.535 -0.526 1.00 0.00 O ATOM 981 CB LEU A 60 -6.503 -14.493 0.625 1.00 0.00 C ATOM 982 CG LEU A 60 -5.807 -13.393 -0.213 1.00 0.00 C ATOM 983 CD1 LEU A 60 -6.801 -12.360 -0.768 1.00 0.00 C ATOM 984 CD2 LEU A 60 -4.767 -12.659 0.642 1.00 0.00 C ATOM 0 H LEU A 60 -7.801 -16.867 1.283 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.048 -14.792 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.074 -14.015 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.737 -15.103 1.103 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.330 -13.895 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.262 -11.611 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.527 -12.861 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.320 -11.874 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.283 -11.887 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.260 -12.198 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.018 -13.369 0.993 1.00 0.00 H new ATOM 996 N TRP A 61 -6.249 -16.009 -2.185 1.00 0.00 N ATOM 997 CA TRP A 61 -5.606 -16.816 -3.209 1.00 0.00 C ATOM 998 C TRP A 61 -4.535 -15.949 -3.848 1.00 0.00 C ATOM 999 O TRP A 61 -4.717 -14.733 -3.895 1.00 0.00 O ATOM 1000 CB TRP A 61 -6.675 -17.127 -4.257 1.00 0.00 C ATOM 1001 CG TRP A 61 -7.787 -18.023 -3.825 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -8.904 -17.622 -3.182 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -7.918 -19.459 -4.002 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -9.703 -18.718 -2.923 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.144 -19.882 -3.410 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.109 -20.440 -4.605 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -9.543 -21.229 -3.411 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -7.496 -21.794 -4.614 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -8.709 -22.188 -4.013 1.00 0.00 C ATOM 0 H TRP A 61 -6.384 -15.043 -2.484 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.172 -17.733 -2.810 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.107 -16.185 -4.594 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.186 -17.580 -5.119 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.137 -16.602 -2.912 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.596 -18.673 -2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.177 -20.150 -5.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -10.477 -21.524 -2.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.862 -22.532 -5.082 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -8.998 -23.229 -4.015 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.452 -16.535 -4.364 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.296 -15.786 -4.851 1.00 0.00 C ATOM 1022 C ILE A 62 -1.868 -16.354 -6.212 1.00 0.00 C ATOM 1023 O ILE A 62 -1.891 -17.571 -6.419 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.118 -15.848 -3.835 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.464 -15.898 -2.321 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.111 -14.717 -4.124 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -2.083 -14.650 -1.675 1.00 0.00 C ATOM 0 H ILE A 62 -3.354 -17.546 -4.455 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.573 -14.738 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.685 -16.832 -4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.151 -16.729 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.549 -16.134 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.709 -14.769 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.282 -14.829 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.611 -13.753 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.267 -14.841 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.397 -13.809 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.025 -14.413 -2.170 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.412 -15.476 -7.110 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.666 -15.784 -8.331 1.00 0.00 C ATOM 1041 C GLN A 63 0.470 -14.749 -8.440 1.00 0.00 C ATOM 1042 O GLN A 63 0.362 -13.660 -7.879 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.650 -15.769 -9.520 1.00 0.00 C ATOM 1044 CG GLN A 63 -1.017 -16.039 -10.896 1.00 0.00 C ATOM 1045 CD GLN A 63 -2.066 -16.153 -12.012 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -3.088 -16.826 -11.877 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -1.843 -15.501 -13.145 1.00 0.00 N ATOM 0 H GLN A 63 -1.563 -14.474 -6.997 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.211 -16.774 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.423 -16.516 -9.341 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.145 -14.798 -9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.321 -15.235 -11.136 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.437 -16.961 -10.851 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.996 -14.944 -13.255 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.519 -15.556 -13.907 1.00 0.00 H new ATOM 1056 N VAL A 64 1.570 -15.045 -9.136 1.00 0.00 N ATOM 1057 CA VAL A 64 2.753 -14.177 -9.152 1.00 0.00 C ATOM 1058 C VAL A 64 3.460 -14.276 -10.512 1.00 0.00 C ATOM 1059 O VAL A 64 3.332 -15.288 -11.206 1.00 0.00 O ATOM 1060 CB VAL A 64 3.648 -14.560 -7.949 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.293 -15.950 -8.074 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.731 -13.514 -7.677 1.00 0.00 C ATOM 0 H VAL A 64 1.667 -15.888 -9.702 1.00 0.00 H new ATOM 0 HA VAL A 64 2.483 -13.127 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 64 2.964 -14.594 -7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.905 -16.148 -7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.513 -16.707 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.919 -15.982 -8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.333 -13.827 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.369 -13.414 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.263 -12.554 -7.458 1.00 0.00 H new ATOM 1072 N GLN A 65 4.229 -13.245 -10.877 1.00 0.00 N ATOM 1073 CA GLN A 65 5.228 -13.260 -11.939 1.00 0.00 C ATOM 1074 C GLN A 65 6.478 -12.636 -11.338 1.00 0.00 C ATOM 1075 O GLN A 65 6.365 -11.682 -10.568 1.00 0.00 O ATOM 1076 CB GLN A 65 4.781 -12.382 -13.120 1.00 0.00 C ATOM 1077 CG GLN A 65 3.547 -12.911 -13.862 1.00 0.00 C ATOM 1078 CD GLN A 65 2.500 -11.819 -14.078 1.00 0.00 C ATOM 1079 OE1 GLN A 65 2.331 -11.294 -15.176 1.00 0.00 O ATOM 1080 NE2 GLN A 65 1.779 -11.457 -13.026 1.00 0.00 N ATOM 0 H GLN A 65 4.165 -12.337 -10.416 1.00 0.00 H new ATOM 0 HA GLN A 65 5.386 -14.275 -12.303 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.568 -11.378 -12.752 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.606 -12.294 -13.826 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.850 -13.319 -14.826 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.105 -13.730 -13.294 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.934 -11.905 -12.123 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.069 -10.731 -13.120 1.00 0.00 H new ATOM 1089 N ALA A 66 7.656 -13.102 -11.738 1.00 0.00 N ATOM 1090 CA ALA A 66 8.910 -12.423 -11.442 1.00 0.00 C ATOM 1091 C ALA A 66 9.378 -11.756 -12.741 1.00 0.00 C ATOM 1092 O ALA A 66 9.338 -12.364 -13.816 1.00 0.00 O ATOM 1093 CB ALA A 66 9.915 -13.411 -10.840 1.00 0.00 C ATOM 0 H ALA A 66 7.767 -13.961 -12.276 1.00 0.00 H new ATOM 0 HA ALA A 66 8.795 -11.646 -10.686 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.849 -12.893 -10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.508 -13.828 -9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.104 -14.216 -11.550 1.00 0.00 H new ATOM 1099 N LEU A 67 9.758 -10.488 -12.628 1.00 0.00 N ATOM 1100 CA LEU A 67 10.065 -9.546 -13.697 1.00 0.00 C ATOM 1101 C LEU A 67 11.520 -9.086 -13.520 1.00 0.00 C ATOM 1102 O LEU A 67 12.230 -9.578 -12.640 1.00 0.00 O ATOM 1103 CB LEU A 67 9.064 -8.369 -13.643 1.00 0.00 C ATOM 1104 CG LEU A 67 7.606 -8.781 -13.942 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.803 -9.037 -12.679 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.879 -7.688 -14.722 1.00 0.00 C ATOM 0 H LEU A 67 9.868 -10.058 -11.710 1.00 0.00 H new ATOM 0 HA LEU A 67 9.966 -10.007 -14.680 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.108 -7.911 -12.655 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.372 -7.608 -14.360 1.00 0.00 H new ATOM 0 HG LEU A 67 7.675 -9.700 -14.523 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.786 -9.323 -12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.268 -9.841 -12.109 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.778 -8.131 -12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.854 -8.003 -14.920 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.870 -6.768 -14.137 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.393 -7.512 -15.667 1.00 0.00 H new ATOM 1118 N ASP A 68 11.993 -8.173 -14.375 1.00 0.00 N ATOM 1119 CA ASP A 68 13.430 -7.902 -14.511 1.00 0.00 C ATOM 1120 C ASP A 68 14.093 -7.401 -13.221 1.00 0.00 C ATOM 1121 O ASP A 68 15.235 -7.783 -12.951 1.00 0.00 O ATOM 1122 CB ASP A 68 13.689 -6.919 -15.658 1.00 0.00 C ATOM 1123 CG ASP A 68 15.198 -6.822 -15.946 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.773 -7.793 -16.493 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.818 -5.777 -15.639 1.00 0.00 O ATOM 0 H ASP A 68 11.402 -7.608 -14.984 1.00 0.00 H new ATOM 0 HA ASP A 68 13.893 -8.863 -14.738 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.161 -7.247 -16.553 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.297 -5.935 -15.399 1.00 0.00 H new ATOM 1130 N LYS A 69 13.390 -6.582 -12.418 1.00 0.00 N ATOM 1131 CA LYS A 69 13.884 -6.046 -11.137 1.00 0.00 C ATOM 1132 C LYS A 69 12.780 -5.992 -10.072 1.00 0.00 C ATOM 1133 O LYS A 69 12.793 -5.130 -9.190 1.00 0.00 O ATOM 1134 CB LYS A 69 14.541 -4.665 -11.318 1.00 0.00 C ATOM 1135 CG LYS A 69 15.745 -4.619 -12.262 1.00 0.00 C ATOM 1136 CD LYS A 69 16.986 -5.340 -11.702 1.00 0.00 C ATOM 1137 CE LYS A 69 18.162 -5.317 -12.693 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.934 -6.195 -13.872 1.00 0.00 N ATOM 0 H LYS A 69 12.446 -6.269 -12.645 1.00 0.00 H new ATOM 0 HA LYS A 69 14.648 -6.737 -10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.787 -3.970 -11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.856 -4.302 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.469 -5.072 -13.214 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.999 -3.579 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.290 -4.867 -10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.730 -6.373 -11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.326 -4.294 -13.033 1.00 0.00 H new ATOM 0 HE3 LYS A 69 19.071 -5.632 -12.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.776 -6.183 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.754 -7.168 -13.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.113 -5.850 -14.408 1.00 0.00 H new ATOM 1152 N GLY A 70 11.786 -6.869 -10.161 1.00 0.00 N ATOM 1153 CA GLY A 70 10.626 -6.847 -9.283 1.00 0.00 C ATOM 1154 C GLY A 70 9.725 -8.036 -9.566 1.00 0.00 C ATOM 1155 O GLY A 70 10.087 -8.909 -10.349 1.00 0.00 O ATOM 0 H GLY A 70 11.764 -7.620 -10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.949 -6.867 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.071 -5.920 -9.426 1.00 0.00 H new ATOM 1159 N LEU A 71 8.545 -8.066 -8.958 1.00 0.00 N ATOM 1160 CA LEU A 71 7.530 -9.102 -9.151 1.00 0.00 C ATOM 1161 C LEU A 71 6.167 -8.428 -9.243 1.00 0.00 C ATOM 1162 O LEU A 71 5.914 -7.459 -8.529 1.00 0.00 O ATOM 1163 CB LEU A 71 7.518 -10.109 -7.986 1.00 0.00 C ATOM 1164 CG LEU A 71 8.862 -10.829 -7.763 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.532 -10.266 -6.505 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.710 -12.344 -7.636 1.00 0.00 C ATOM 0 H LEU A 71 8.256 -7.347 -8.294 1.00 0.00 H new ATOM 0 HA LEU A 71 7.760 -9.650 -10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.242 -9.586 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.745 -10.855 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 71 9.481 -10.647 -8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.484 -10.772 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.706 -9.198 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.883 -10.427 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.690 -12.796 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.065 -12.575 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.267 -12.743 -8.549 1.00 0.00 H new ATOM 1178 N GLU A 72 5.270 -8.957 -10.073 1.00 0.00 N ATOM 1179 CA GLU A 72 3.840 -8.681 -9.972 1.00 0.00 C ATOM 1180 C GLU A 72 3.234 -9.796 -9.143 1.00 0.00 C ATOM 1181 O GLU A 72 3.539 -10.967 -9.366 1.00 0.00 O ATOM 1182 CB GLU A 72 3.106 -8.648 -11.326 1.00 0.00 C ATOM 1183 CG GLU A 72 3.171 -7.301 -12.053 1.00 0.00 C ATOM 1184 CD GLU A 72 2.258 -7.292 -13.293 1.00 0.00 C ATOM 1185 OE1 GLU A 72 1.013 -7.286 -13.136 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.777 -7.260 -14.434 1.00 0.00 O ATOM 0 H GLU A 72 5.515 -9.589 -10.835 1.00 0.00 H new ATOM 0 HA GLU A 72 3.727 -7.690 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.530 -9.416 -11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.060 -8.909 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.873 -6.503 -11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.199 -7.096 -12.353 1.00 0.00 H new ATOM 1193 N ILE A 73 2.339 -9.442 -8.231 1.00 0.00 N ATOM 1194 CA ILE A 73 1.630 -10.376 -7.391 1.00 0.00 C ATOM 1195 C ILE A 73 0.148 -10.043 -7.591 1.00 0.00 C ATOM 1196 O ILE A 73 -0.264 -8.896 -7.425 1.00 0.00 O ATOM 1197 CB ILE A 73 2.047 -10.238 -5.909 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.544 -10.299 -5.493 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.331 -11.326 -5.091 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.475 -9.223 -6.055 1.00 0.00 C ATOM 0 H ILE A 73 2.085 -8.470 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 73 1.853 -11.409 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 73 1.766 -9.204 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.593 -10.253 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.936 -11.272 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.617 -11.240 -4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.252 -11.201 -5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.616 -12.309 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.487 -9.387 -5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.475 -9.275 -7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.127 -8.240 -5.739 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.652 -11.035 -7.964 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.100 -10.954 -8.086 1.00 0.00 C ATOM 1214 C ILE A 74 -2.637 -11.713 -6.869 1.00 0.00 C ATOM 1215 O ILE A 74 -2.090 -12.759 -6.514 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.544 -11.589 -9.432 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.205 -10.774 -10.705 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.067 -11.825 -9.468 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -0.727 -10.451 -10.947 1.00 0.00 C ATOM 0 H ILE A 74 -0.291 -11.959 -8.200 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.481 -9.933 -8.099 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.971 -12.516 -9.458 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.578 -11.323 -11.569 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.755 -9.834 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.344 -12.270 -10.424 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.350 -12.498 -8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.586 -10.874 -9.347 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.626 -9.878 -11.869 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.341 -9.866 -10.112 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.161 -11.379 -11.033 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.730 -11.251 -6.264 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.449 -12.014 -5.256 1.00 0.00 C ATOM 1233 C VAL A 75 -5.944 -11.993 -5.562 1.00 0.00 C ATOM 1234 O VAL A 75 -6.441 -11.026 -6.143 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.084 -11.580 -3.822 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -2.612 -11.817 -3.492 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -4.306 -10.105 -3.550 1.00 0.00 C ATOM 0 H VAL A 75 -4.138 -10.337 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.133 -13.056 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.748 -12.192 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.411 -11.493 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.384 -12.879 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.988 -11.248 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.026 -9.879 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.694 -9.513 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.357 -9.861 -3.702 1.00 0.00 H new ATOM 1247 N THR A 76 -6.653 -13.077 -5.236 1.00 0.00 N ATOM 1248 CA THR A 76 -7.999 -13.358 -5.733 1.00 0.00 C ATOM 1249 C THR A 76 -8.875 -13.904 -4.597 1.00 0.00 C ATOM 1250 O THR A 76 -8.358 -14.226 -3.519 1.00 0.00 O ATOM 1251 CB THR A 76 -7.939 -14.297 -6.972 1.00 0.00 C ATOM 1252 OG1 THR A 76 -7.825 -15.663 -6.670 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.767 -14.018 -7.926 1.00 0.00 C ATOM 0 H THR A 76 -6.299 -13.797 -4.606 1.00 0.00 H new ATOM 0 HA THR A 76 -8.467 -12.435 -6.074 1.00 0.00 H new ATOM 0 HB THR A 76 -8.899 -14.073 -7.438 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.795 -16.181 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.803 -14.718 -8.761 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.841 -12.998 -8.304 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.825 -14.139 -7.391 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.195 -14.031 -4.813 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.116 -14.704 -3.895 1.00 0.00 C ATOM 1263 C LYS A 77 -12.056 -15.635 -4.643 1.00 0.00 C ATOM 1264 O LYS A 77 -12.304 -15.468 -5.836 1.00 0.00 O ATOM 1265 CB LYS A 77 -11.913 -13.705 -3.053 1.00 0.00 C ATOM 1266 CG LYS A 77 -10.949 -12.810 -2.285 1.00 0.00 C ATOM 1267 CD LYS A 77 -11.686 -12.086 -1.169 1.00 0.00 C ATOM 1268 CE LYS A 77 -10.872 -10.900 -0.628 1.00 0.00 C ATOM 1269 NZ LYS A 77 -10.920 -10.811 0.857 1.00 0.00 N ATOM 0 H LYS A 77 -10.655 -13.661 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.507 -15.301 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.554 -13.101 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.565 -14.236 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.139 -13.408 -1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.495 -12.086 -2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.647 -11.729 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.895 -12.784 -0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.835 -10.997 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.254 -9.974 -1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.357 -9.996 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.906 -10.692 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.531 -11.683 1.270 1.00 0.00 H new ATOM 1283 N ALA A 78 -12.633 -16.561 -3.876 1.00 0.00 N ATOM 1284 CA ALA A 78 -13.575 -17.570 -4.371 1.00 0.00 C ATOM 1285 C ALA A 78 -14.986 -17.001 -4.567 1.00 0.00 C ATOM 1286 O ALA A 78 -15.763 -17.560 -5.338 1.00 0.00 O ATOM 1287 CB ALA A 78 -13.616 -18.758 -3.397 1.00 0.00 C ATOM 0 H ALA A 78 -12.456 -16.633 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.223 -17.901 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.317 -19.507 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -12.622 -19.198 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.939 -18.412 -2.415 1.00 0.00 H new ATOM 1293 N GLN A 79 -15.329 -15.892 -3.894 1.00 0.00 N ATOM 1294 CA GLN A 79 -16.674 -15.302 -3.923 1.00 0.00 C ATOM 1295 C GLN A 79 -17.086 -14.843 -5.335 1.00 0.00 C ATOM 1296 O GLN A 79 -18.279 -14.770 -5.633 1.00 0.00 O ATOM 1297 CB GLN A 79 -16.752 -14.137 -2.918 1.00 0.00 C ATOM 1298 CG GLN A 79 -16.639 -14.594 -1.454 1.00 0.00 C ATOM 1299 CD GLN A 79 -16.706 -13.401 -0.492 1.00 0.00 C ATOM 1300 OE1 GLN A 79 -15.683 -12.837 -0.109 1.00 0.00 O ATOM 1301 NE2 GLN A 79 -17.899 -13.000 -0.083 1.00 0.00 N ATOM 0 H GLN A 79 -14.673 -15.375 -3.309 1.00 0.00 H new ATOM 0 HA GLN A 79 -17.384 -16.077 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -15.954 -13.426 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.696 -13.609 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.443 -15.294 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.700 -15.129 -1.309 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.738 -13.479 -0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.980 -12.212 0.560 1.00 0.00 H new ATOM 1310 N LEU A 80 -16.112 -14.599 -6.224 1.00 0.00 N ATOM 1311 CA LEU A 80 -16.337 -14.326 -7.646 1.00 0.00 C ATOM 1312 C LEU A 80 -17.060 -15.483 -8.359 1.00 0.00 C ATOM 1313 O LEU A 80 -17.775 -15.251 -9.335 1.00 0.00 O ATOM 1314 CB LEU A 80 -14.968 -14.062 -8.306 1.00 0.00 C ATOM 1315 CG LEU A 80 -15.002 -13.761 -9.821 1.00 0.00 C ATOM 1316 CD1 LEU A 80 -15.813 -12.500 -10.151 1.00 0.00 C ATOM 1317 CD2 LEU A 80 -13.565 -13.576 -10.325 1.00 0.00 C ATOM 0 H LEU A 80 -15.125 -14.586 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 80 -16.986 -13.455 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.496 -13.221 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.332 -14.932 -8.141 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.487 -14.603 -10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.805 -12.334 -11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.841 -12.629 -9.811 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.370 -11.640 -9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.579 -13.363 -11.394 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.098 -12.746 -9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.996 -14.488 -10.144 1.00 0.00 H new ATOM 1329 N SER A 81 -16.893 -16.716 -7.872 1.00 0.00 N ATOM 1330 CA SER A 81 -17.081 -17.930 -8.660 1.00 0.00 C ATOM 1331 C SER A 81 -17.891 -18.995 -7.900 1.00 0.00 C ATOM 1332 O SER A 81 -17.662 -20.194 -8.075 1.00 0.00 O ATOM 1333 CB SER A 81 -15.697 -18.448 -9.094 1.00 0.00 C ATOM 1334 OG SER A 81 -14.913 -17.411 -9.676 1.00 0.00 O ATOM 0 H SER A 81 -16.620 -16.898 -6.906 1.00 0.00 H new ATOM 0 HA SER A 81 -17.672 -17.698 -9.546 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.174 -18.861 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.819 -19.260 -9.811 1.00 0.00 H new ATOM 0 HG SER A 81 -14.040 -17.770 -9.940 1.00 0.00 H new ATOM 1340 N LYS A 82 -18.849 -18.574 -7.054 1.00 0.00 N ATOM 1341 CA LYS A 82 -19.752 -19.505 -6.358 1.00 0.00 C ATOM 1342 C LYS A 82 -20.517 -20.398 -7.343 1.00 0.00 C ATOM 1343 O LYS A 82 -20.806 -21.552 -7.014 1.00 0.00 O ATOM 1344 CB LYS A 82 -20.750 -18.756 -5.459 1.00 0.00 C ATOM 1345 CG LYS A 82 -20.101 -18.162 -4.199 1.00 0.00 C ATOM 1346 CD LYS A 82 -21.185 -17.595 -3.268 1.00 0.00 C ATOM 1347 CE LYS A 82 -20.579 -17.106 -1.944 1.00 0.00 C ATOM 1348 NZ LYS A 82 -21.624 -16.656 -0.985 1.00 0.00 N ATOM 0 H LYS A 82 -19.017 -17.592 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 82 -19.122 -20.138 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -21.215 -17.954 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -21.546 -19.439 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -19.528 -18.929 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -19.400 -17.375 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -21.698 -16.770 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -21.933 -18.362 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -19.996 -17.909 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -19.891 -16.284 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -21.172 -16.334 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -22.165 -15.872 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -22.266 -17.447 -0.775 1.00 0.00 H new ATOM 1362 N ASP A 83 -20.823 -19.886 -8.539 1.00 0.00 N ATOM 1363 CA ASP A 83 -21.442 -20.663 -9.619 1.00 0.00 C ATOM 1364 C ASP A 83 -20.927 -20.224 -10.995 1.00 0.00 C ATOM 1365 O ASP A 83 -20.717 -21.074 -11.861 1.00 0.00 O ATOM 1366 CB ASP A 83 -22.967 -20.545 -9.548 1.00 0.00 C ATOM 1367 CG ASP A 83 -23.628 -21.416 -10.630 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -23.634 -22.663 -10.488 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -24.174 -20.849 -11.604 1.00 0.00 O ATOM 0 H ASP A 83 -20.647 -18.913 -8.788 1.00 0.00 H new ATOM 0 HA ASP A 83 -21.163 -21.708 -9.484 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -23.316 -20.853 -8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -23.263 -19.504 -9.680 1.00 0.00 H new ATOM 1374 N LEU A 84 -20.638 -18.919 -11.169 1.00 0.00 N ATOM 1375 CA LEU A 84 -19.809 -18.297 -12.220 1.00 0.00 C ATOM 1376 C LEU A 84 -20.505 -18.221 -13.584 1.00 0.00 C ATOM 1377 O LEU A 84 -20.254 -17.295 -14.353 1.00 0.00 O ATOM 1378 CB LEU A 84 -18.435 -18.987 -12.315 1.00 0.00 C ATOM 1379 CG LEU A 84 -17.401 -18.262 -13.201 1.00 0.00 C ATOM 1380 CD1 LEU A 84 -17.096 -16.829 -12.739 1.00 0.00 C ATOM 1381 CD2 LEU A 84 -16.103 -19.072 -13.196 1.00 0.00 C ATOM 0 H LEU A 84 -21.008 -18.217 -10.527 1.00 0.00 H new ATOM 0 HA LEU A 84 -19.653 -17.261 -11.918 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.024 -19.085 -11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.578 -19.996 -12.701 1.00 0.00 H new ATOM 0 HG LEU A 84 -17.830 -18.186 -14.200 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.361 -16.380 -13.407 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -18.012 -16.238 -12.757 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -16.698 -16.851 -11.725 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.360 -18.573 -13.818 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.727 -19.151 -12.176 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.295 -20.070 -13.590 1.00 0.00 H new ATOM 1393 N ASP A 85 -21.418 -19.149 -13.856 1.00 0.00 N ATOM 1394 CA ASP A 85 -22.344 -19.059 -14.986 1.00 0.00 C ATOM 1395 C ASP A 85 -23.362 -17.918 -14.804 1.00 0.00 C ATOM 1396 O ASP A 85 -23.939 -17.438 -15.785 1.00 0.00 O ATOM 1397 CB ASP A 85 -23.068 -20.395 -15.173 1.00 0.00 C ATOM 1398 CG ASP A 85 -23.992 -20.375 -16.401 1.00 0.00 C ATOM 1399 OD1 ASP A 85 -23.479 -20.326 -17.546 1.00 0.00 O ATOM 1400 OD2 ASP A 85 -25.234 -20.467 -16.234 1.00 0.00 O ATOM 0 H ASP A 85 -21.539 -19.992 -13.295 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.761 -18.834 -15.879 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.335 -21.194 -15.283 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -23.653 -20.620 -14.281 1.00 0.00 H new ATOM 1405 N LYS A 86 -23.572 -17.454 -13.560 1.00 0.00 N ATOM 1406 CA LYS A 86 -24.426 -16.296 -13.279 1.00 0.00 C ATOM 1407 C LYS A 86 -23.865 -15.035 -13.931 1.00 0.00 C ATOM 1408 O LYS A 86 -22.659 -14.927 -14.182 1.00 0.00 O ATOM 1409 CB LYS A 86 -24.637 -16.103 -11.773 1.00 0.00 C ATOM 1410 CG LYS A 86 -25.330 -17.291 -11.094 1.00 0.00 C ATOM 1411 CD LYS A 86 -26.654 -17.744 -11.733 1.00 0.00 C ATOM 1412 CE LYS A 86 -27.299 -18.802 -10.829 1.00 0.00 C ATOM 1413 NZ LYS A 86 -28.623 -19.251 -11.336 1.00 0.00 N ATOM 0 H LYS A 86 -23.155 -17.871 -12.728 1.00 0.00 H new ATOM 0 HA LYS A 86 -25.405 -16.491 -13.717 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -23.671 -15.936 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -25.232 -15.204 -11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -24.642 -18.136 -11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -25.521 -17.030 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -27.324 -16.893 -11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -26.473 -18.155 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -26.633 -19.661 -10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -27.417 -18.395 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -29.018 -19.965 -10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -29.269 -18.437 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -28.510 -19.665 -12.283 1.00 0.00 H new ATOM 1427 N LEU A 87 -24.746 -14.069 -14.194 1.00 0.00 N ATOM 1428 CA LEU A 87 -24.468 -12.922 -15.049 1.00 0.00 C ATOM 1429 C LEU A 87 -25.215 -11.688 -14.538 1.00 0.00 C ATOM 1430 O LEU A 87 -26.244 -11.818 -13.866 1.00 0.00 O ATOM 1431 CB LEU A 87 -24.895 -13.283 -16.474 1.00 0.00 C ATOM 1432 CG LEU A 87 -24.304 -12.369 -17.565 1.00 0.00 C ATOM 1433 CD1 LEU A 87 -22.775 -12.230 -17.501 1.00 0.00 C ATOM 1434 CD2 LEU A 87 -24.656 -13.021 -18.893 1.00 0.00 C ATOM 0 H LEU A 87 -25.691 -14.065 -13.809 1.00 0.00 H new ATOM 0 HA LEU A 87 -23.405 -12.682 -15.038 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -24.600 -14.312 -16.679 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -25.983 -13.245 -16.535 1.00 0.00 H new ATOM 0 HG LEU A 87 -24.713 -11.367 -17.432 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -22.436 -11.572 -18.301 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -22.488 -11.809 -16.538 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -22.315 -13.211 -17.619 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -24.262 -12.417 -19.711 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -24.219 -14.019 -18.936 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -25.739 -13.095 -18.986 1.00 0.00 H new ATOM 1446 N VAL A 88 -24.713 -10.496 -14.865 1.00 0.00 N ATOM 1447 CA VAL A 88 -25.411 -9.234 -14.613 1.00 0.00 C ATOM 1448 C VAL A 88 -26.730 -9.176 -15.423 1.00 0.00 C ATOM 1449 O VAL A 88 -26.878 -9.908 -16.411 1.00 0.00 O ATOM 1450 CB VAL A 88 -24.476 -8.039 -14.909 1.00 0.00 C ATOM 1451 CG1 VAL A 88 -23.230 -8.070 -14.011 1.00 0.00 C ATOM 1452 CG2 VAL A 88 -24.048 -7.964 -16.379 1.00 0.00 C ATOM 0 H VAL A 88 -23.805 -10.378 -15.315 1.00 0.00 H new ATOM 0 HA VAL A 88 -25.684 -9.173 -13.560 1.00 0.00 H new ATOM 0 HB VAL A 88 -25.059 -7.145 -14.689 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -22.593 -7.217 -14.243 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -23.534 -8.022 -12.965 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -22.678 -8.994 -14.186 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -23.393 -7.105 -16.524 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -23.516 -8.876 -16.650 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -24.930 -7.858 -17.010 1.00 0.00 H new ATOM 1462 N PRO A 89 -27.688 -8.312 -15.029 1.00 0.00 N ATOM 1463 CA PRO A 89 -28.916 -8.061 -15.776 1.00 0.00 C ATOM 1464 C PRO A 89 -28.663 -7.652 -17.235 1.00 0.00 C ATOM 1465 O PRO A 89 -27.593 -7.137 -17.586 1.00 0.00 O ATOM 1466 CB PRO A 89 -29.641 -6.944 -15.016 1.00 0.00 C ATOM 1467 CG PRO A 89 -29.094 -7.030 -13.599 1.00 0.00 C ATOM 1468 CD PRO A 89 -27.671 -7.532 -13.804 1.00 0.00 C ATOM 0 HA PRO A 89 -29.508 -8.974 -15.840 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -29.442 -5.968 -15.460 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -30.721 -7.088 -15.034 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -29.111 -6.060 -13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -29.677 -7.714 -12.983 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -26.972 -6.699 -13.883 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -27.348 -8.141 -12.960 1.00 0.00 H new ATOM 1476 N ARG A 90 -29.688 -7.825 -18.073 1.00 0.00 N ATOM 1477 CA ARG A 90 -29.704 -7.520 -19.492 1.00 0.00 C ATOM 1478 C ARG A 90 -31.056 -6.879 -19.777 1.00 0.00 C ATOM 1479 O ARG A 90 -31.066 -5.821 -20.448 1.00 0.00 O ATOM 1480 CB ARG A 90 -29.418 -8.814 -20.272 1.00 0.00 C ATOM 1481 CG ARG A 90 -30.176 -9.009 -21.590 1.00 0.00 C ATOM 1482 CD ARG A 90 -29.987 -7.958 -22.695 1.00 0.00 C ATOM 1483 NE ARG A 90 -28.581 -7.559 -22.891 1.00 0.00 N ATOM 1484 CZ ARG A 90 -28.044 -6.363 -22.608 1.00 0.00 C ATOM 1485 NH1 ARG A 90 -28.743 -5.426 -21.968 1.00 0.00 N ATOM 1486 NH2 ARG A 90 -26.790 -6.109 -22.976 1.00 0.00 N ATOM 1487 OXT ARG A 90 -32.091 -7.401 -19.295 1.00 0.00 O ATOM 0 H ARG A 90 -30.579 -8.205 -17.752 1.00 0.00 H new ATOM 0 HA ARG A 90 -28.934 -6.816 -19.808 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -28.350 -8.853 -20.486 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -29.644 -9.659 -19.622 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -29.890 -9.978 -21.999 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -31.240 -9.062 -21.358 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -30.379 -8.353 -23.632 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -30.577 -7.075 -22.450 1.00 0.00 H new ATOM 0 HE ARG A 90 -27.954 -8.263 -23.281 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -29.705 -5.612 -21.684 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -28.316 -4.523 -21.762 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -26.249 -6.820 -23.468 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -26.371 -5.203 -22.766 1.00 0.00 H new TER 1501 ARG A 90