USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 622 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD Set 1.1: A 8 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.7!) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -141:sc= -0.0567 (180deg=-0.429) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.25 (180deg=0.957) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0923 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -146:sc= -0.236 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.032 K(o=-0.032,f=-0.59) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= 0.989 (180deg=0.246) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc=-0.00467 F(o=-0.81,f=-0.0047) USER MOD Single : A 40 GLN : amide:sc= -1.52! C(o=-1.5!,f=-9.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.17) USER MOD Single : A 55 THR OG1 : rot 138:sc= 1.39 USER MOD Single : A 57 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.58) USER MOD Single : A 58 ASN : amide:sc= 0.57 K(o=0.57,f=-3.5!) USER MOD Single : A 59 CYS SG : rot 68:sc= 0.73 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=-0.0053) USER MOD Single : A 71 GLN : amide:sc= -0.475 K(o=-0.48,f=-2.9) USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.428) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.253 -0.450 -0.081 1.00 0.00 N ATOM 2 CA MET A 1 2.513 -0.968 -0.630 1.00 0.00 C ATOM 3 C MET A 1 2.231 -1.979 -1.715 1.00 0.00 C ATOM 4 O MET A 1 1.706 -3.046 -1.455 1.00 0.00 O ATOM 5 CB MET A 1 3.343 -1.605 0.479 1.00 0.00 C ATOM 6 CG MET A 1 4.673 -2.183 0.028 1.00 0.00 C ATOM 7 SD MET A 1 5.557 -2.986 1.387 1.00 0.00 S ATOM 8 CE MET A 1 7.054 -3.519 0.569 1.00 0.00 C ATOM 0 H1 MET A 1 1.433 0.447 0.413 1.00 0.00 H new ATOM 0 H2 MET A 1 0.577 -0.290 -0.855 1.00 0.00 H new ATOM 0 H3 MET A 1 0.856 -1.140 0.588 1.00 0.00 H new ATOM 0 HA MET A 1 3.076 -0.140 -1.061 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.531 -0.856 1.249 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.757 -2.398 0.942 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.503 -2.905 -0.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.292 -1.388 -0.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.340 -4.504 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.882 -3.571 -0.506 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.854 -2.808 0.775 1.00 0.00 H new ATOM 20 N ILE A 2 2.567 -1.642 -2.925 1.00 0.00 N ATOM 21 CA ILE A 2 2.334 -2.539 -4.039 1.00 0.00 C ATOM 22 C ILE A 2 3.581 -3.337 -4.352 1.00 0.00 C ATOM 23 O ILE A 2 4.628 -2.773 -4.655 1.00 0.00 O ATOM 24 CB ILE A 2 1.876 -1.780 -5.310 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.553 -1.052 -5.048 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.735 -2.743 -6.490 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.038 -0.274 -6.239 1.00 0.00 C ATOM 0 H ILE A 2 3.004 -0.755 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 2 1.533 -3.215 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 2 2.635 -1.039 -5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.200 -1.782 -4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.685 -0.369 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.413 -2.192 -7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.696 -3.218 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.996 -3.507 -6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.901 0.213 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.771 0.480 -6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.127 -0.955 -7.074 1.00 0.00 H new ATOM 39 N VAL A 3 3.476 -4.642 -4.255 1.00 0.00 N ATOM 40 CA VAL A 3 4.586 -5.512 -4.575 1.00 0.00 C ATOM 41 C VAL A 3 4.214 -6.416 -5.737 1.00 0.00 C ATOM 42 O VAL A 3 3.040 -6.733 -5.933 1.00 0.00 O ATOM 43 CB VAL A 3 5.038 -6.368 -3.358 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.507 -5.477 -2.223 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.927 -7.293 -2.885 1.00 0.00 C ATOM 0 H VAL A 3 2.630 -5.127 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 3 5.428 -4.878 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 3 5.873 -6.989 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.819 -6.095 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.348 -4.871 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.691 -4.824 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.277 -7.876 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.062 -6.700 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.645 -7.966 -3.694 1.00 0.00 H new ATOM 55 N PHE A 4 5.195 -6.805 -6.513 1.00 0.00 N ATOM 56 CA PHE A 4 4.953 -7.663 -7.652 1.00 0.00 C ATOM 57 C PHE A 4 5.141 -9.114 -7.260 1.00 0.00 C ATOM 58 O PHE A 4 6.057 -9.447 -6.498 1.00 0.00 O ATOM 59 CB PHE A 4 5.878 -7.289 -8.809 1.00 0.00 C ATOM 60 CG PHE A 4 5.723 -5.862 -9.252 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.692 -4.920 -8.950 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.606 -5.461 -9.967 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.549 -3.607 -9.351 1.00 0.00 C ATOM 64 CE2 PHE A 4 4.458 -4.149 -10.370 1.00 0.00 C ATOM 65 CZ PHE A 4 5.432 -3.221 -10.062 1.00 0.00 C ATOM 0 H PHE A 4 6.171 -6.542 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 4 3.924 -7.525 -7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.912 -7.459 -8.509 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.678 -7.949 -9.653 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.570 -5.216 -8.394 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.842 -6.184 -10.212 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.312 -2.882 -9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.582 -3.849 -10.925 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.320 -2.194 -10.377 1.00 0.00 H new ATOM 75 N VAL A 5 4.282 -9.974 -7.764 1.00 0.00 N ATOM 76 CA VAL A 5 4.340 -11.373 -7.418 1.00 0.00 C ATOM 77 C VAL A 5 4.059 -12.272 -8.632 1.00 0.00 C ATOM 78 O VAL A 5 3.188 -11.983 -9.448 1.00 0.00 O ATOM 79 CB VAL A 5 3.346 -11.687 -6.268 1.00 0.00 C ATOM 80 CG1 VAL A 5 1.929 -11.358 -6.665 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.450 -13.123 -5.820 1.00 0.00 C ATOM 0 H VAL A 5 3.536 -9.726 -8.414 1.00 0.00 H new ATOM 0 HA VAL A 5 5.353 -11.587 -7.079 1.00 0.00 H new ATOM 0 HB VAL A 5 3.621 -11.053 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.257 -11.589 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.856 -10.298 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.649 -11.949 -7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.739 -13.305 -5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.225 -13.783 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.461 -13.321 -5.464 1.00 0.00 H new ATOM 91 N ARG A 6 4.833 -13.335 -8.750 1.00 0.00 N ATOM 92 CA ARG A 6 4.672 -14.319 -9.804 1.00 0.00 C ATOM 93 C ARG A 6 4.161 -15.626 -9.214 1.00 0.00 C ATOM 94 O ARG A 6 4.833 -16.247 -8.391 1.00 0.00 O ATOM 95 CB ARG A 6 6.004 -14.556 -10.533 1.00 0.00 C ATOM 96 CG ARG A 6 6.379 -13.453 -11.500 1.00 0.00 C ATOM 97 CD ARG A 6 7.647 -13.786 -12.267 1.00 0.00 C ATOM 98 NE ARG A 6 7.889 -12.835 -13.353 1.00 0.00 N ATOM 99 CZ ARG A 6 8.836 -12.970 -14.284 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.674 -13.999 -14.242 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 8.946 -12.067 -15.252 1.00 0.00 N ATOM 0 H ARG A 6 5.600 -13.542 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 6 3.948 -13.942 -10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.798 -14.663 -9.793 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.946 -15.499 -11.077 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.561 -13.291 -12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.519 -12.521 -10.953 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.497 -13.782 -11.584 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.571 -14.794 -12.676 1.00 0.00 H new ATOM 0 HE ARG A 6 7.291 -12.010 -13.402 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.596 -14.690 -13.496 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.396 -14.098 -14.956 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.307 -11.272 -15.283 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.669 -12.168 -15.964 1.00 0.00 H new ATOM 115 N PHE A 7 2.974 -16.030 -9.620 1.00 0.00 N ATOM 116 CA PHE A 7 2.369 -17.252 -9.107 1.00 0.00 C ATOM 117 C PHE A 7 2.729 -18.455 -9.985 1.00 0.00 C ATOM 118 O PHE A 7 3.016 -18.304 -11.173 1.00 0.00 O ATOM 119 CB PHE A 7 0.841 -17.100 -8.995 1.00 0.00 C ATOM 120 CG PHE A 7 0.164 -18.270 -8.331 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.197 -18.411 -6.953 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.499 -19.228 -9.084 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.414 -19.486 -6.339 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.112 -20.304 -8.474 1.00 0.00 C ATOM 125 CZ PHE A 7 -1.069 -20.434 -7.098 1.00 0.00 C ATOM 0 H PHE A 7 2.405 -15.532 -10.305 1.00 0.00 H new ATOM 0 HA PHE A 7 2.770 -17.430 -8.109 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.615 -16.194 -8.433 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.424 -16.968 -9.993 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.706 -17.672 -6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.536 -19.131 -10.159 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.379 -19.585 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.625 -21.044 -9.071 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.547 -21.276 -6.619 1.00 0.00 H new ATOM 135 N ASN A 8 2.756 -19.634 -9.365 1.00 0.00 N ATOM 136 CA ASN A 8 3.045 -20.911 -10.043 1.00 0.00 C ATOM 137 C ASN A 8 2.265 -21.064 -11.349 1.00 0.00 C ATOM 138 O ASN A 8 1.032 -21.038 -11.354 1.00 0.00 O ATOM 139 CB ASN A 8 2.714 -22.082 -9.106 1.00 0.00 C ATOM 140 CG ASN A 8 2.841 -23.440 -9.775 1.00 0.00 C ATOM 141 OD1 ASN A 8 3.919 -24.015 -9.821 1.00 0.00 O ATOM 142 ND2 ASN A 8 1.736 -23.965 -10.273 1.00 0.00 N ATOM 0 H ASN A 8 2.577 -19.738 -8.366 1.00 0.00 H new ATOM 0 HA ASN A 8 4.106 -20.915 -10.291 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.378 -22.046 -8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.697 -21.963 -8.731 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.762 -24.883 -10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.856 -23.452 -10.214 1.00 0.00 H new ATOM 149 N SER A 9 3.006 -21.216 -12.452 1.00 0.00 N ATOM 150 CA SER A 9 2.433 -21.421 -13.789 1.00 0.00 C ATOM 151 C SER A 9 1.672 -20.187 -14.284 1.00 0.00 C ATOM 152 O SER A 9 0.916 -20.258 -15.257 1.00 0.00 O ATOM 153 CB SER A 9 1.535 -22.665 -13.805 1.00 0.00 C ATOM 154 OG SER A 9 2.258 -23.807 -13.369 1.00 0.00 O ATOM 0 H SER A 9 4.026 -21.200 -12.443 1.00 0.00 H new ATOM 0 HA SER A 9 3.261 -21.582 -14.479 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.672 -22.506 -13.159 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.153 -22.832 -14.812 1.00 0.00 H new ATOM 0 HG SER A 9 1.671 -24.591 -13.383 1.00 0.00 H new ATOM 160 N SER A 10 1.894 -19.068 -13.630 1.00 0.00 N ATOM 161 CA SER A 10 1.261 -17.827 -13.997 1.00 0.00 C ATOM 162 C SER A 10 2.332 -16.754 -14.173 1.00 0.00 C ATOM 163 O SER A 10 3.529 -17.045 -14.068 1.00 0.00 O ATOM 164 CB SER A 10 0.249 -17.416 -12.921 1.00 0.00 C ATOM 165 OG SER A 10 -0.571 -16.348 -13.361 1.00 0.00 O ATOM 0 H SER A 10 2.520 -18.996 -12.828 1.00 0.00 H new ATOM 0 HA SER A 10 0.723 -17.950 -14.937 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.374 -18.271 -12.661 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.779 -17.120 -12.016 1.00 0.00 H new ATOM 0 HG SER A 10 -1.206 -16.110 -12.654 1.00 0.00 H new ATOM 171 N HIS A 11 1.919 -15.533 -14.430 1.00 0.00 N ATOM 172 CA HIS A 11 2.860 -14.449 -14.633 1.00 0.00 C ATOM 173 C HIS A 11 2.842 -13.474 -13.465 1.00 0.00 C ATOM 174 O HIS A 11 2.165 -13.706 -12.460 1.00 0.00 O ATOM 175 CB HIS A 11 2.590 -13.731 -15.960 1.00 0.00 C ATOM 176 CG HIS A 11 2.987 -14.544 -17.160 1.00 0.00 C ATOM 177 ND1 HIS A 11 4.229 -14.414 -17.735 1.00 0.00 N ATOM 178 CD2 HIS A 11 2.285 -15.486 -17.833 1.00 0.00 C ATOM 179 CE1 HIS A 11 4.254 -15.276 -18.737 1.00 0.00 C ATOM 180 NE2 HIS A 11 3.103 -15.947 -18.835 1.00 0.00 N ATOM 0 H HIS A 11 0.938 -15.264 -14.504 1.00 0.00 H new ATOM 0 HA HIS A 11 3.860 -14.881 -14.683 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.529 -13.490 -16.027 1.00 0.00 H new ATOM 0 HB3 HIS A 11 3.133 -12.786 -15.972 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.277 -15.812 -17.623 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.099 -15.420 -19.394 1.00 0.00 H new ATOM 0 HE2 HIS A 11 2.875 -16.665 -19.523 1.00 0.00 H new ATOM 188 N GLY A 12 3.599 -12.399 -13.596 1.00 0.00 N ATOM 189 CA GLY A 12 3.710 -11.429 -12.534 1.00 0.00 C ATOM 190 C GLY A 12 2.541 -10.475 -12.467 1.00 0.00 C ATOM 191 O GLY A 12 2.151 -9.878 -13.473 1.00 0.00 O ATOM 0 H GLY A 12 4.144 -12.180 -14.430 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.797 -11.952 -11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.628 -10.857 -12.669 1.00 0.00 H new ATOM 195 N PHE A 13 1.981 -10.342 -11.288 1.00 0.00 N ATOM 196 CA PHE A 13 0.891 -9.426 -11.049 1.00 0.00 C ATOM 197 C PHE A 13 1.150 -8.637 -9.771 1.00 0.00 C ATOM 198 O PHE A 13 1.763 -9.148 -8.839 1.00 0.00 O ATOM 199 CB PHE A 13 -0.460 -10.172 -10.982 1.00 0.00 C ATOM 200 CG PHE A 13 -0.535 -11.292 -9.970 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.086 -11.080 -8.715 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.080 -12.561 -10.287 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.180 -12.112 -7.800 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.166 -13.595 -9.374 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.717 -13.370 -8.129 1.00 0.00 C ATOM 0 H PHE A 13 2.270 -10.869 -10.464 1.00 0.00 H new ATOM 0 HA PHE A 13 0.832 -8.727 -11.884 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.244 -9.449 -10.756 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.678 -10.582 -11.968 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.446 -10.097 -8.449 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.348 -12.745 -11.261 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.616 -11.934 -6.828 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.198 -14.578 -9.635 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.786 -14.176 -7.414 1.00 0.00 H new ATOM 215 N PRO A 14 0.731 -7.372 -9.726 1.00 0.00 N ATOM 216 CA PRO A 14 0.927 -6.528 -8.557 1.00 0.00 C ATOM 217 C PRO A 14 -0.118 -6.779 -7.465 1.00 0.00 C ATOM 218 O PRO A 14 -1.318 -6.917 -7.744 1.00 0.00 O ATOM 219 CB PRO A 14 0.791 -5.117 -9.119 1.00 0.00 C ATOM 220 CG PRO A 14 -0.134 -5.258 -10.282 1.00 0.00 C ATOM 221 CD PRO A 14 0.053 -6.654 -10.822 1.00 0.00 C ATOM 0 HA PRO A 14 1.884 -6.720 -8.072 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.388 -4.431 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.758 -4.719 -9.428 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.168 -5.098 -9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.091 -4.515 -11.047 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.902 -7.117 -11.072 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.654 -6.653 -11.731 1.00 0.00 H new ATOM 229 N VAL A 15 0.348 -6.857 -6.229 1.00 0.00 N ATOM 230 CA VAL A 15 -0.518 -7.047 -5.086 1.00 0.00 C ATOM 231 C VAL A 15 -0.340 -5.904 -4.087 1.00 0.00 C ATOM 232 O VAL A 15 0.776 -5.627 -3.631 1.00 0.00 O ATOM 233 CB VAL A 15 -0.277 -8.422 -4.391 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.030 -8.504 -3.066 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.724 -9.550 -5.302 1.00 0.00 C ATOM 0 H VAL A 15 1.338 -6.790 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.545 -7.044 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 15 0.790 -8.518 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.845 -9.473 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.685 -7.712 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.098 -8.386 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.552 -10.506 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.786 -9.441 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.156 -9.514 -6.231 1.00 0.00 H new ATOM 245 N GLU A 16 -1.438 -5.228 -3.781 1.00 0.00 N ATOM 246 CA GLU A 16 -1.430 -4.114 -2.846 1.00 0.00 C ATOM 247 C GLU A 16 -1.470 -4.648 -1.415 1.00 0.00 C ATOM 248 O GLU A 16 -2.482 -5.198 -0.974 1.00 0.00 O ATOM 249 CB GLU A 16 -2.644 -3.204 -3.123 1.00 0.00 C ATOM 250 CG GLU A 16 -2.491 -1.749 -2.665 1.00 0.00 C ATOM 251 CD GLU A 16 -2.462 -1.576 -1.161 1.00 0.00 C ATOM 252 OE1 GLU A 16 -3.447 -1.952 -0.493 1.00 0.00 O ATOM 253 OE2 GLU A 16 -1.466 -1.032 -0.645 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.356 -5.436 -4.173 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.519 -3.529 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.845 -3.211 -4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.518 -3.632 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.571 -1.342 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.315 -1.162 -3.072 1.00 0.00 H new ATOM 260 N VAL A 17 -0.371 -4.508 -0.710 1.00 0.00 N ATOM 261 CA VAL A 17 -0.276 -4.976 0.657 1.00 0.00 C ATOM 262 C VAL A 17 -0.142 -3.804 1.617 1.00 0.00 C ATOM 263 O VAL A 17 0.169 -2.681 1.207 1.00 0.00 O ATOM 264 CB VAL A 17 0.911 -5.951 0.860 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.783 -7.150 -0.057 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.243 -5.252 0.639 1.00 0.00 C ATOM 0 H VAL A 17 0.479 -4.069 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.197 -5.519 0.869 1.00 0.00 H new ATOM 0 HB VAL A 17 0.881 -6.299 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.627 -7.821 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.146 -7.677 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.776 -6.816 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.056 -5.962 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.285 -4.862 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.344 -4.430 1.348 1.00 0.00 H new ATOM 276 N ASP A 18 -0.365 -4.068 2.880 1.00 0.00 N ATOM 277 CA ASP A 18 -0.306 -3.044 3.901 1.00 0.00 C ATOM 278 C ASP A 18 1.062 -3.044 4.579 1.00 0.00 C ATOM 279 O ASP A 18 1.760 -4.059 4.575 1.00 0.00 O ATOM 280 CB ASP A 18 -1.414 -3.283 4.927 1.00 0.00 C ATOM 281 CG ASP A 18 -1.437 -2.262 6.029 1.00 0.00 C ATOM 282 OD1 ASP A 18 -1.901 -1.129 5.782 1.00 0.00 O ATOM 283 OD2 ASP A 18 -0.989 -2.585 7.147 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.593 -4.998 3.233 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.453 -2.068 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.378 -3.279 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.288 -4.274 5.363 1.00 0.00 H new ATOM 288 N SER A 19 1.431 -1.912 5.170 1.00 0.00 N ATOM 289 CA SER A 19 2.720 -1.761 5.843 1.00 0.00 C ATOM 290 C SER A 19 2.850 -2.687 7.067 1.00 0.00 C ATOM 291 O SER A 19 3.929 -2.799 7.657 1.00 0.00 O ATOM 292 CB SER A 19 2.918 -0.308 6.274 1.00 0.00 C ATOM 293 OG SER A 19 2.786 0.583 5.171 1.00 0.00 O ATOM 0 H SER A 19 0.848 -1.075 5.197 1.00 0.00 H new ATOM 0 HA SER A 19 3.493 -2.046 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.187 -0.051 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.905 -0.191 6.722 1.00 0.00 H new ATOM 0 HG SER A 19 2.916 1.505 5.478 1.00 0.00 H new ATOM 299 N ASP A 20 1.757 -3.328 7.458 1.00 0.00 N ATOM 300 CA ASP A 20 1.788 -4.233 8.601 1.00 0.00 C ATOM 301 C ASP A 20 1.437 -5.668 8.179 1.00 0.00 C ATOM 302 O ASP A 20 1.292 -6.561 9.014 1.00 0.00 O ATOM 303 CB ASP A 20 0.835 -3.728 9.698 1.00 0.00 C ATOM 304 CG ASP A 20 0.890 -4.555 10.969 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.989 -4.687 11.556 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.167 -5.069 11.396 1.00 0.00 O1- ATOM 0 H ASP A 20 0.846 -3.241 7.007 1.00 0.00 H new ATOM 0 HA ASP A 20 2.801 -4.250 9.003 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.081 -2.693 9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.185 -3.733 9.314 1.00 0.00 H new ATOM 311 N THR A 21 1.330 -5.887 6.877 1.00 0.00 N ATOM 312 CA THR A 21 1.015 -7.204 6.358 1.00 0.00 C ATOM 313 C THR A 21 2.205 -8.145 6.535 1.00 0.00 C ATOM 314 O THR A 21 3.224 -7.996 5.876 1.00 0.00 O ATOM 315 CB THR A 21 0.618 -7.136 4.860 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.570 -6.344 4.711 1.00 0.00 O ATOM 317 CG2 THR A 21 0.372 -8.527 4.286 1.00 0.00 C ATOM 0 H THR A 21 1.457 -5.169 6.164 1.00 0.00 H new ATOM 0 HA THR A 21 0.166 -7.589 6.922 1.00 0.00 H new ATOM 0 HB THR A 21 1.444 -6.680 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.111 -6.701 3.977 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.096 -8.443 3.235 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.280 -9.124 4.376 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.436 -9.010 4.836 1.00 0.00 H new ATOM 325 N SER A 22 2.078 -9.080 7.456 1.00 0.00 N ATOM 326 CA SER A 22 3.125 -10.049 7.704 1.00 0.00 C ATOM 327 C SER A 22 3.242 -11.010 6.517 1.00 0.00 C ATOM 328 O SER A 22 2.280 -11.197 5.769 1.00 0.00 O ATOM 329 CB SER A 22 2.815 -10.820 8.986 1.00 0.00 C ATOM 330 OG SER A 22 2.375 -9.938 10.013 1.00 0.00 O ATOM 0 H SER A 22 1.254 -9.189 8.048 1.00 0.00 H new ATOM 0 HA SER A 22 4.076 -9.531 7.824 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.047 -11.568 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.704 -11.356 9.317 1.00 0.00 H new ATOM 0 HG SER A 22 2.180 -10.452 10.824 1.00 0.00 H new ATOM 336 N ILE A 23 4.417 -11.609 6.347 1.00 0.00 N ATOM 337 CA ILE A 23 4.655 -12.552 5.250 1.00 0.00 C ATOM 338 C ILE A 23 3.637 -13.702 5.292 1.00 0.00 C ATOM 339 O ILE A 23 3.166 -14.170 4.250 1.00 0.00 O ATOM 340 CB ILE A 23 6.104 -13.115 5.293 1.00 0.00 C ATOM 341 CG1 ILE A 23 7.125 -11.965 5.330 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.378 -14.029 4.098 1.00 0.00 C ATOM 343 CD1 ILE A 23 7.021 -11.006 4.159 1.00 0.00 C ATOM 0 H ILE A 23 5.223 -11.460 6.954 1.00 0.00 H new ATOM 0 HA ILE A 23 4.531 -12.007 4.314 1.00 0.00 H new ATOM 0 HB ILE A 23 6.207 -13.708 6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.993 -11.406 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.130 -12.386 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.399 -14.407 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.680 -14.866 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.251 -13.466 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.775 -10.225 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.184 -11.549 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.029 -10.554 4.146 1.00 0.00 H new ATOM 355 N PHE A 24 3.286 -14.132 6.504 1.00 0.00 N ATOM 356 CA PHE A 24 2.281 -15.173 6.696 1.00 0.00 C ATOM 357 C PHE A 24 0.937 -14.705 6.155 1.00 0.00 C ATOM 358 O PHE A 24 0.249 -15.437 5.443 1.00 0.00 O ATOM 359 CB PHE A 24 2.144 -15.507 8.185 1.00 0.00 C ATOM 360 CG PHE A 24 1.241 -16.673 8.464 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.670 -17.967 8.224 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.038 -16.477 8.966 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.845 -19.043 8.478 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.868 -17.551 9.222 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.425 -18.835 8.977 1.00 0.00 C ATOM 0 H PHE A 24 3.686 -13.772 7.370 1.00 0.00 H new ATOM 0 HA PHE A 24 2.597 -16.066 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.132 -15.719 8.593 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.764 -14.631 8.711 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.662 -18.136 7.833 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.388 -15.474 9.159 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.193 -20.047 8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.861 -17.386 9.613 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.072 -19.677 9.176 1.00 0.00 H new ATOM 375 N GLN A 25 0.588 -13.466 6.490 1.00 0.00 N ATOM 376 CA GLN A 25 -0.664 -12.872 6.055 1.00 0.00 C ATOM 377 C GLN A 25 -0.695 -12.754 4.542 1.00 0.00 C ATOM 378 O GLN A 25 -1.688 -13.077 3.914 1.00 0.00 O ATOM 379 CB GLN A 25 -0.853 -11.490 6.692 1.00 0.00 C ATOM 380 CG GLN A 25 -0.818 -11.499 8.215 1.00 0.00 C ATOM 381 CD GLN A 25 -1.921 -12.338 8.823 1.00 0.00 C ATOM 382 OE1 GLN A 25 -3.008 -12.461 8.262 1.00 0.00 O ATOM 383 NE2 GLN A 25 -1.650 -12.922 9.973 1.00 0.00 N ATOM 0 H GLN A 25 1.163 -12.852 7.067 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.480 -13.520 6.375 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.073 -10.823 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.807 -11.077 6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.147 -11.879 8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.902 -10.476 8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.735 -12.795 10.406 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.355 -13.501 10.430 1.00 0.00 H new ATOM 392 N LEU A 26 0.419 -12.306 3.967 1.00 0.00 N ATOM 393 CA LEU A 26 0.541 -12.154 2.520 1.00 0.00 C ATOM 394 C LEU A 26 0.274 -13.480 1.803 1.00 0.00 C ATOM 395 O LEU A 26 -0.453 -13.521 0.805 1.00 0.00 O ATOM 396 CB LEU A 26 1.934 -11.618 2.157 1.00 0.00 C ATOM 397 CG LEU A 26 2.257 -11.530 0.662 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.224 -10.687 -0.069 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.651 -10.959 0.456 1.00 0.00 C ATOM 0 H LEU A 26 1.256 -12.040 4.486 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.209 -11.436 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.042 -10.623 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.680 -12.255 2.632 1.00 0.00 H new ATOM 0 HG LEU A 26 2.226 -12.537 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.476 -10.640 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.238 -11.136 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.216 -9.679 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.867 -10.902 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.703 -9.961 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.384 -11.604 0.941 1.00 0.00 H new ATOM 411 N LYS A 27 0.848 -14.557 2.328 1.00 0.00 N ATOM 412 CA LYS A 27 0.654 -15.883 1.756 1.00 0.00 C ATOM 413 C LYS A 27 -0.822 -16.263 1.800 1.00 0.00 C ATOM 414 O LYS A 27 -1.369 -16.796 0.837 1.00 0.00 O ATOM 415 CB LYS A 27 1.492 -16.918 2.517 1.00 0.00 C ATOM 416 CG LYS A 27 1.448 -18.316 1.909 1.00 0.00 C ATOM 417 CD LYS A 27 2.563 -19.209 2.449 1.00 0.00 C ATOM 418 CE LYS A 27 2.405 -19.497 3.934 1.00 0.00 C ATOM 419 NZ LYS A 27 1.180 -20.280 4.225 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.452 -14.537 3.150 1.00 0.00 H new ATOM 0 HA LYS A 27 0.981 -15.867 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.527 -16.579 2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.140 -16.969 3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.482 -18.774 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.535 -18.243 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.571 -20.149 1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.526 -18.729 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.277 -20.044 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.372 -18.556 4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.300 -20.792 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.366 -19.637 4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.013 -20.961 3.457 1.00 0.00 H new ATOM 433 N GLU A 28 -1.454 -15.968 2.920 1.00 0.00 N ATOM 434 CA GLU A 28 -2.867 -16.240 3.112 1.00 0.00 C ATOM 435 C GLU A 28 -3.730 -15.361 2.197 1.00 0.00 C ATOM 436 O GLU A 28 -4.748 -15.810 1.682 1.00 0.00 O ATOM 437 CB GLU A 28 -3.230 -16.017 4.574 1.00 0.00 C ATOM 438 CG GLU A 28 -2.771 -17.132 5.502 1.00 0.00 C ATOM 439 CD GLU A 28 -3.818 -18.203 5.699 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.991 -17.859 5.959 1.00 0.00 O ATOM 441 OE2 GLU A 28 -3.474 -19.392 5.636 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.002 -15.532 3.724 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.065 -17.279 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.791 -15.077 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.312 -15.911 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.867 -17.586 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.508 -16.706 6.470 1.00 0.00 H new ATOM 448 N VAL A 29 -3.309 -14.109 1.997 1.00 0.00 N ATOM 449 CA VAL A 29 -4.028 -13.174 1.126 1.00 0.00 C ATOM 450 C VAL A 29 -4.109 -13.708 -0.300 1.00 0.00 C ATOM 451 O VAL A 29 -5.192 -13.772 -0.890 1.00 0.00 O ATOM 452 CB VAL A 29 -3.371 -11.763 1.117 1.00 0.00 C ATOM 453 CG1 VAL A 29 -4.002 -10.873 0.053 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.502 -11.107 2.483 1.00 0.00 C ATOM 0 H VAL A 29 -2.471 -13.718 2.428 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.035 -13.079 1.532 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.314 -11.888 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.525 -9.893 0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.867 -11.327 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.067 -10.761 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.037 -10.121 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.557 -11.005 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.006 -11.724 3.232 1.00 0.00 H new ATOM 464 N VAL A 30 -2.969 -14.101 -0.844 1.00 0.00 N ATOM 465 CA VAL A 30 -2.922 -14.654 -2.190 1.00 0.00 C ATOM 466 C VAL A 30 -3.706 -15.965 -2.246 1.00 0.00 C ATOM 467 O VAL A 30 -4.426 -16.238 -3.214 1.00 0.00 O ATOM 468 CB VAL A 30 -1.463 -14.896 -2.650 1.00 0.00 C ATOM 469 CG1 VAL A 30 -1.424 -15.462 -4.065 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.660 -13.606 -2.569 1.00 0.00 C ATOM 0 H VAL A 30 -2.064 -14.048 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.376 -13.929 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.013 -15.629 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.388 -15.623 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.961 -16.410 -4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.895 -14.758 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.363 -13.793 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.115 -12.853 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.652 -13.246 -1.540 1.00 0.00 H new ATOM 480 N ALA A 31 -3.588 -16.746 -1.182 1.00 0.00 N ATOM 481 CA ALA A 31 -4.265 -18.027 -1.085 1.00 0.00 C ATOM 482 C ALA A 31 -5.782 -17.867 -1.102 1.00 0.00 C ATOM 483 O ALA A 31 -6.462 -18.500 -1.906 1.00 0.00 O ATOM 484 CB ALA A 31 -3.823 -18.765 0.164 1.00 0.00 C ATOM 0 H ALA A 31 -3.023 -16.510 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.987 -18.614 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.339 -19.723 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.747 -18.934 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.065 -18.169 1.044 1.00 0.00 H new ATOM 490 N LYS A 32 -6.312 -17.015 -0.226 1.00 0.00 N ATOM 491 CA LYS A 32 -7.758 -16.808 -0.144 1.00 0.00 C ATOM 492 C LYS A 32 -8.304 -16.171 -1.418 1.00 0.00 C ATOM 493 O LYS A 32 -9.417 -16.478 -1.842 1.00 0.00 O ATOM 494 CB LYS A 32 -8.144 -15.958 1.081 1.00 0.00 C ATOM 495 CG LYS A 32 -7.579 -14.542 1.071 1.00 0.00 C ATOM 496 CD LYS A 32 -8.198 -13.691 2.166 1.00 0.00 C ATOM 497 CE LYS A 32 -7.582 -12.299 2.210 1.00 0.00 C ATOM 498 NZ LYS A 32 -8.222 -11.436 3.232 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.767 -16.460 0.433 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.210 -17.793 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.231 -15.902 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.801 -16.466 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.498 -14.579 1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.765 -14.081 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.272 -13.609 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.061 -14.181 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.516 -12.382 2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.676 -11.830 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.771 -10.499 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.234 -11.335 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.110 -11.869 4.171 1.00 0.00 H new ATOM 512 N ARG A 33 -7.510 -15.295 -2.033 1.00 0.00 N ATOM 513 CA ARG A 33 -7.926 -14.616 -3.252 1.00 0.00 C ATOM 514 C ARG A 33 -8.184 -15.618 -4.378 1.00 0.00 C ATOM 515 O ARG A 33 -9.165 -15.503 -5.113 1.00 0.00 O ATOM 516 CB ARG A 33 -6.871 -13.597 -3.703 1.00 0.00 C ATOM 517 CG ARG A 33 -7.222 -12.907 -5.016 1.00 0.00 C ATOM 518 CD ARG A 33 -6.065 -12.081 -5.555 1.00 0.00 C ATOM 519 NE ARG A 33 -5.783 -10.899 -4.735 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.199 -9.791 -5.202 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.847 -9.711 -6.483 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -4.974 -8.766 -4.394 1.00 0.00 N ATOM 0 H ARG A 33 -6.578 -15.042 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.854 -14.088 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.749 -12.843 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.911 -14.102 -3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.507 -13.657 -5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.088 -12.262 -4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.172 -12.704 -5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.292 -11.766 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.048 -10.923 -3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.023 -10.496 -7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.401 -8.865 -6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.247 -8.821 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.528 -7.922 -4.753 1.00 0.00 H new ATOM 536 N GLN A 34 -7.303 -16.596 -4.504 1.00 0.00 N ATOM 537 CA GLN A 34 -7.420 -17.589 -5.563 1.00 0.00 C ATOM 538 C GLN A 34 -8.163 -18.832 -5.084 1.00 0.00 C ATOM 539 O GLN A 34 -8.474 -19.725 -5.875 1.00 0.00 O ATOM 540 CB GLN A 34 -6.039 -17.965 -6.093 1.00 0.00 C ATOM 541 CG GLN A 34 -5.258 -16.782 -6.649 1.00 0.00 C ATOM 542 CD GLN A 34 -3.917 -17.178 -7.233 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.832 -18.385 -7.766 1.00 0.00 O flip ATOM 544 NE2 GLN A 34 -2.968 -16.401 -7.214 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.500 -16.725 -3.889 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.001 -17.146 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.463 -18.425 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.151 -18.716 -6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.853 -16.291 -7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.101 -16.052 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.073 -15.478 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.074 -16.678 -7.619 1.00 0.00 H new ATOM 553 N GLY A 35 -8.442 -18.885 -3.793 1.00 0.00 N ATOM 554 CA GLY A 35 -9.150 -20.016 -3.230 1.00 0.00 C ATOM 555 C GLY A 35 -8.296 -21.264 -3.183 1.00 0.00 C ATOM 556 O GLY A 35 -8.774 -22.365 -3.466 1.00 0.00 O ATOM 0 H GLY A 35 -8.190 -18.161 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.483 -19.768 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.044 -20.213 -3.821 1.00 0.00 H new ATOM 560 N VAL A 36 -7.037 -21.093 -2.832 1.00 0.00 N ATOM 561 CA VAL A 36 -6.106 -22.206 -2.748 1.00 0.00 C ATOM 562 C VAL A 36 -5.640 -22.391 -1.306 1.00 0.00 C ATOM 563 O VAL A 36 -5.669 -21.443 -0.520 1.00 0.00 O ATOM 564 CB VAL A 36 -4.878 -22.000 -3.675 1.00 0.00 C ATOM 565 CG1 VAL A 36 -5.314 -21.915 -5.131 1.00 0.00 C ATOM 566 CG2 VAL A 36 -4.095 -20.756 -3.275 1.00 0.00 C ATOM 0 H VAL A 36 -6.631 -20.187 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.631 -23.101 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.221 -22.862 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.439 -21.771 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.819 -22.839 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.997 -21.075 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.240 -20.635 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.740 -19.880 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.744 -20.861 -2.248 1.00 0.00 H new ATOM 576 N PRO A 37 -5.227 -23.610 -0.926 1.00 0.00 N ATOM 577 CA PRO A 37 -4.771 -23.894 0.432 1.00 0.00 C ATOM 578 C PRO A 37 -3.404 -23.280 0.718 1.00 0.00 C ATOM 579 O PRO A 37 -2.402 -23.661 0.106 1.00 0.00 O ATOM 580 CB PRO A 37 -4.683 -25.434 0.482 1.00 0.00 C ATOM 581 CG PRO A 37 -5.306 -25.916 -0.789 1.00 0.00 C ATOM 582 CD PRO A 37 -5.165 -24.799 -1.777 1.00 0.00 C ATOM 0 HA PRO A 37 -5.445 -23.473 1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.647 -25.765 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.210 -25.828 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.809 -26.817 -1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.355 -26.170 -0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.224 -24.858 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.965 -24.810 -2.518 1.00 0.00 H new ATOM 590 N ALA A 38 -3.362 -22.342 1.659 1.00 0.00 N ATOM 591 CA ALA A 38 -2.118 -21.679 2.026 1.00 0.00 C ATOM 592 C ALA A 38 -1.154 -22.650 2.704 1.00 0.00 C ATOM 593 O ALA A 38 0.052 -22.390 2.783 1.00 0.00 O ATOM 594 CB ALA A 38 -2.393 -20.473 2.917 1.00 0.00 C ATOM 0 H ALA A 38 -4.178 -22.024 2.182 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.643 -21.326 1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.451 -19.992 3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.026 -19.764 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.899 -20.800 3.825 1.00 0.00 H new ATOM 600 N ASP A 39 -1.687 -23.777 3.182 1.00 0.00 N ATOM 601 CA ASP A 39 -0.864 -24.817 3.812 1.00 0.00 C ATOM 602 C ASP A 39 -0.037 -25.537 2.761 1.00 0.00 C ATOM 603 O ASP A 39 0.980 -26.149 3.066 1.00 0.00 O ATOM 604 CB ASP A 39 -1.727 -25.844 4.554 1.00 0.00 C ATOM 605 CG ASP A 39 -2.535 -25.254 5.684 1.00 0.00 C ATOM 606 OD1 ASP A 39 -3.774 -25.227 5.571 1.00 0.00 O ATOM 607 OD2 ASP A 39 -1.935 -24.818 6.689 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.683 -23.994 3.146 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.210 -24.325 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.404 -26.317 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.082 -26.628 4.951 1.00 0.00 H new ATOM 612 N GLN A 40 -0.489 -25.461 1.523 1.00 0.00 N ATOM 613 CA GLN A 40 0.196 -26.102 0.413 1.00 0.00 C ATOM 614 C GLN A 40 0.868 -25.043 -0.450 1.00 0.00 C ATOM 615 O GLN A 40 1.354 -25.323 -1.547 1.00 0.00 O ATOM 616 CB GLN A 40 -0.807 -26.904 -0.428 1.00 0.00 C ATOM 617 CG GLN A 40 -1.583 -27.958 0.361 1.00 0.00 C ATOM 618 CD GLN A 40 -0.685 -29.008 0.992 1.00 0.00 C ATOM 619 OE1 GLN A 40 0.371 -29.339 0.467 1.00 0.00 O ATOM 620 NE2 GLN A 40 -1.107 -29.545 2.118 1.00 0.00 N ATOM 0 H GLN A 40 -1.335 -24.957 1.258 1.00 0.00 H new ATOM 0 HA GLN A 40 0.953 -26.783 0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.516 -26.213 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.272 -27.395 -1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.162 -27.466 1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.296 -28.448 -0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.992 -29.244 2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.549 -30.262 2.582 1.00 0.00 H new ATOM 629 N LEU A 41 0.904 -23.827 0.066 1.00 0.00 N ATOM 630 CA LEU A 41 1.458 -22.705 -0.656 1.00 0.00 C ATOM 631 C LEU A 41 2.834 -22.332 -0.097 1.00 0.00 C ATOM 632 O LEU A 41 3.038 -22.311 1.119 1.00 0.00 O ATOM 633 CB LEU A 41 0.498 -21.516 -0.564 1.00 0.00 C ATOM 634 CG LEU A 41 0.746 -20.374 -1.543 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.618 -20.869 -2.973 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.229 -19.239 -1.287 1.00 0.00 C ATOM 0 H LEU A 41 0.550 -23.594 0.994 1.00 0.00 H new ATOM 0 HA LEU A 41 1.585 -22.981 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.517 -21.883 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.545 -21.115 0.449 1.00 0.00 H new ATOM 0 HG LEU A 41 1.759 -20.001 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.798 -20.043 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.350 -21.657 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.386 -21.263 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.040 -18.431 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.249 -19.600 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.099 -18.870 -0.270 1.00 0.00 H new ATOM 648 N ARG A 42 3.763 -22.050 -0.989 1.00 0.00 N ATOM 649 CA ARG A 42 5.129 -21.700 -0.620 1.00 0.00 C ATOM 650 C ARG A 42 5.508 -20.347 -1.212 1.00 0.00 C ATOM 651 O ARG A 42 5.266 -20.089 -2.391 1.00 0.00 O ATOM 652 CB ARG A 42 6.084 -22.786 -1.136 1.00 0.00 C ATOM 653 CG ARG A 42 7.573 -22.455 -1.040 1.00 0.00 C ATOM 654 CD ARG A 42 8.068 -22.371 0.395 1.00 0.00 C ATOM 655 NE ARG A 42 9.529 -22.493 0.450 1.00 0.00 N ATOM 656 CZ ARG A 42 10.272 -22.365 1.554 1.00 0.00 C ATOM 657 NH1 ARG A 42 9.712 -22.050 2.709 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 11.587 -22.536 1.490 1.00 0.00 N ATOM 0 H ARG A 42 3.595 -22.056 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 42 5.203 -21.633 0.465 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.897 -23.704 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.842 -22.992 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.144 -23.215 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.762 -21.505 -1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.761 -21.422 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.610 -23.162 0.989 1.00 0.00 H new ATOM 0 HE ARG A 42 10.017 -22.691 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.704 -21.902 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.288 -21.955 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.029 -22.765 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.155 -22.439 2.331 1.00 0.00 H new ATOM 672 N VAL A 43 6.093 -19.493 -0.398 1.00 0.00 N ATOM 673 CA VAL A 43 6.513 -18.186 -0.857 1.00 0.00 C ATOM 674 C VAL A 43 8.031 -18.118 -0.974 1.00 0.00 C ATOM 675 O VAL A 43 8.754 -18.498 -0.060 1.00 0.00 O ATOM 676 CB VAL A 43 5.996 -17.043 0.064 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.480 -16.944 -0.009 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.441 -17.252 1.504 1.00 0.00 C ATOM 0 H VAL A 43 6.288 -19.681 0.585 1.00 0.00 H new ATOM 0 HA VAL A 43 6.071 -18.039 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 43 6.428 -16.107 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.136 -16.140 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.178 -16.735 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.038 -17.886 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.065 -16.438 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.048 -18.199 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.530 -17.269 1.550 1.00 0.00 H new ATOM 688 N ILE A 44 8.501 -17.677 -2.120 1.00 0.00 N ATOM 689 CA ILE A 44 9.921 -17.540 -2.366 1.00 0.00 C ATOM 690 C ILE A 44 10.233 -16.116 -2.801 1.00 0.00 C ATOM 691 O ILE A 44 9.715 -15.637 -3.808 1.00 0.00 O ATOM 692 CB ILE A 44 10.410 -18.533 -3.460 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.185 -19.988 -3.019 1.00 0.00 C ATOM 694 CG2 ILE A 44 11.879 -18.299 -3.791 1.00 0.00 C ATOM 695 CD1 ILE A 44 10.973 -20.384 -1.786 1.00 0.00 C ATOM 0 H ILE A 44 7.912 -17.404 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 44 10.444 -17.770 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 44 9.823 -18.352 -4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.123 -20.138 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.455 -20.652 -3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.196 -19.006 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.012 -17.281 -4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.481 -18.443 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.761 -21.424 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.039 -20.268 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.686 -19.746 -0.950 1.00 0.00 H new ATOM 707 N PHE A 45 11.055 -15.442 -2.040 1.00 0.00 N ATOM 708 CA PHE A 45 11.438 -14.089 -2.363 1.00 0.00 C ATOM 709 C PHE A 45 12.929 -14.014 -2.610 1.00 0.00 C ATOM 710 O PHE A 45 13.720 -14.301 -1.720 1.00 0.00 O ATOM 711 CB PHE A 45 11.036 -13.125 -1.243 1.00 0.00 C ATOM 712 CG PHE A 45 11.477 -11.709 -1.484 1.00 0.00 C ATOM 713 CD1 PHE A 45 10.892 -10.949 -2.482 1.00 0.00 C ATOM 714 CD2 PHE A 45 12.481 -11.140 -0.716 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.297 -9.651 -2.709 1.00 0.00 C ATOM 716 CE2 PHE A 45 12.890 -9.842 -0.938 1.00 0.00 C ATOM 717 CZ PHE A 45 12.297 -9.097 -1.935 1.00 0.00 C ATOM 0 H PHE A 45 11.475 -15.809 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 45 10.913 -13.792 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.952 -13.145 -1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.462 -13.475 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.109 -11.378 -3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.949 -11.720 0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.833 -9.068 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.673 -9.410 -0.332 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.615 -8.080 -2.111 1.00 0.00 H new ATOM 727 N ALA A 46 13.302 -13.665 -3.839 1.00 0.00 N ATOM 728 CA ALA A 46 14.711 -13.527 -4.231 1.00 0.00 C ATOM 729 C ALA A 46 15.454 -14.861 -4.118 1.00 0.00 C ATOM 730 O ALA A 46 16.684 -14.903 -4.051 1.00 0.00 O ATOM 731 CB ALA A 46 15.397 -12.450 -3.397 1.00 0.00 C ATOM 0 H ALA A 46 12.642 -13.470 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 46 14.739 -13.222 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.440 -12.363 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.893 -11.496 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.349 -12.721 -2.342 1.00 0.00 H new ATOM 737 N GLY A 47 14.702 -15.948 -4.116 1.00 0.00 N ATOM 738 CA GLY A 47 15.301 -17.261 -4.020 1.00 0.00 C ATOM 739 C GLY A 47 15.434 -17.749 -2.589 1.00 0.00 C ATOM 740 O GLY A 47 15.990 -18.819 -2.348 1.00 0.00 O ATOM 0 H GLY A 47 13.684 -15.945 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.698 -17.971 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.287 -17.239 -4.484 1.00 0.00 H new ATOM 744 N LYS A 48 14.924 -16.977 -1.643 1.00 0.00 N ATOM 745 CA LYS A 48 14.996 -17.353 -0.236 1.00 0.00 C ATOM 746 C LYS A 48 13.634 -17.259 0.426 1.00 0.00 C ATOM 747 O LYS A 48 12.671 -16.763 -0.164 1.00 0.00 O ATOM 748 CB LYS A 48 15.982 -16.460 0.522 1.00 0.00 C ATOM 749 CG LYS A 48 15.642 -14.981 0.458 1.00 0.00 C ATOM 750 CD LYS A 48 16.132 -14.243 1.684 1.00 0.00 C ATOM 751 CE LYS A 48 15.964 -12.736 1.523 1.00 0.00 C ATOM 752 NZ LYS A 48 16.523 -11.980 2.674 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.456 -16.088 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 48 15.343 -18.386 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.012 -16.772 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.982 -16.612 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.089 -14.543 -0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.563 -14.859 0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.580 -14.582 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.182 -14.478 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.457 -12.414 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.905 -12.500 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.386 -10.961 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.036 -12.267 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.539 -12.183 2.762 1.00 0.00 H new ATOM 766 N GLU A 49 13.566 -17.739 1.651 1.00 0.00 N ATOM 767 CA GLU A 49 12.364 -17.664 2.450 1.00 0.00 C ATOM 768 C GLU A 49 12.560 -16.619 3.544 1.00 0.00 C ATOM 769 O GLU A 49 13.663 -16.467 4.085 1.00 0.00 O ATOM 770 CB GLU A 49 12.039 -19.045 3.055 1.00 0.00 C ATOM 771 CG GLU A 49 10.914 -19.051 4.096 1.00 0.00 C ATOM 772 CD GLU A 49 9.562 -18.617 3.545 1.00 0.00 C ATOM 773 OE1 GLU A 49 9.331 -17.397 3.416 1.00 0.00 O ATOM 774 OE2 GLU A 49 8.709 -19.496 3.288 1.00 0.00 O1- ATOM 0 H GLU A 49 14.348 -18.194 2.121 1.00 0.00 H new ATOM 0 HA GLU A 49 11.522 -17.369 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.768 -19.724 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.942 -19.444 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.821 -20.055 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.189 -18.391 4.918 1.00 0.00 H new ATOM 781 N LEU A 50 11.515 -15.897 3.843 1.00 0.00 N ATOM 782 CA LEU A 50 11.553 -14.863 4.854 1.00 0.00 C ATOM 783 C LEU A 50 10.990 -15.402 6.162 1.00 0.00 C ATOM 784 O LEU A 50 10.822 -16.611 6.326 1.00 0.00 O ATOM 785 CB LEU A 50 10.721 -13.654 4.397 1.00 0.00 C ATOM 786 CG LEU A 50 11.066 -13.091 3.016 1.00 0.00 C ATOM 787 CD1 LEU A 50 10.148 -11.935 2.666 1.00 0.00 C ATOM 788 CD2 LEU A 50 12.519 -12.652 2.962 1.00 0.00 C ATOM 0 H LEU A 50 10.606 -16.006 3.393 1.00 0.00 H new ATOM 0 HA LEU A 50 12.587 -14.552 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.669 -13.939 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.837 -12.858 5.132 1.00 0.00 H new ATOM 0 HG LEU A 50 10.920 -13.882 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.409 -11.548 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.114 -12.281 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.260 -11.144 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.743 -12.255 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.694 -11.879 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.165 -13.506 3.165 1.00 0.00 H new ATOM 800 N ARG A 51 10.712 -14.516 7.088 1.00 0.00 N ATOM 801 CA ARG A 51 10.111 -14.909 8.341 1.00 0.00 C ATOM 802 C ARG A 51 8.624 -14.585 8.311 1.00 0.00 C ATOM 803 O ARG A 51 8.228 -13.439 8.094 1.00 0.00 O ATOM 804 CB ARG A 51 10.816 -14.274 9.557 1.00 0.00 C ATOM 805 CG ARG A 51 10.979 -12.765 9.507 1.00 0.00 C ATOM 806 CD ARG A 51 12.201 -12.341 8.707 1.00 0.00 C ATOM 807 NE ARG A 51 13.434 -12.894 9.259 1.00 0.00 N ATOM 808 CZ ARG A 51 14.619 -12.289 9.214 1.00 0.00 C ATOM 809 NH1 ARG A 51 14.743 -11.101 8.626 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 15.678 -12.877 9.750 1.00 0.00 N ATOM 0 H ARG A 51 10.892 -13.516 6.998 1.00 0.00 H new ATOM 0 HA ARG A 51 10.235 -15.985 8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.254 -14.531 10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.803 -14.725 9.658 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.087 -12.320 9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.060 -12.377 10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.088 -12.667 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.266 -11.253 8.693 1.00 0.00 H new ATOM 0 HE ARG A 51 13.384 -13.807 9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.928 -10.651 8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.653 -10.640 8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.584 -13.790 10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.588 -12.417 9.718 1.00 0.00 H new ATOM 824 N ASN A 52 7.817 -15.607 8.522 1.00 0.00 N ATOM 825 CA ASN A 52 6.362 -15.523 8.393 1.00 0.00 C ATOM 826 C ASN A 52 5.710 -14.439 9.264 1.00 0.00 C ATOM 827 O ASN A 52 4.754 -13.791 8.830 1.00 0.00 O ATOM 828 CB ASN A 52 5.718 -16.897 8.667 1.00 0.00 C ATOM 829 CG ASN A 52 6.054 -17.460 10.038 1.00 0.00 C ATOM 830 OD1 ASN A 52 7.065 -18.141 10.209 1.00 0.00 O ATOM 831 ND2 ASN A 52 5.209 -17.199 11.019 1.00 0.00 N ATOM 0 H ASN A 52 8.150 -16.533 8.791 1.00 0.00 H new ATOM 0 HA ASN A 52 6.174 -15.223 7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.636 -16.807 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.046 -17.602 7.903 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.385 -17.566 11.954 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.381 -16.631 10.841 1.00 0.00 H new ATOM 838 N ASP A 53 6.222 -14.213 10.458 1.00 0.00 N ATOM 839 CA ASP A 53 5.568 -13.270 11.374 1.00 0.00 C ATOM 840 C ASP A 53 6.139 -11.849 11.273 1.00 0.00 C ATOM 841 O ASP A 53 5.926 -11.024 12.154 1.00 0.00 O ATOM 842 CB ASP A 53 5.642 -13.781 12.819 1.00 0.00 C ATOM 843 CG ASP A 53 4.637 -13.094 13.730 1.00 0.00 C ATOM 844 OD1 ASP A 53 3.420 -13.146 13.430 1.00 0.00 O ATOM 845 OD2 ASP A 53 5.049 -12.520 14.761 1.00 0.00 O1- ATOM 0 H ASP A 53 7.068 -14.652 10.820 1.00 0.00 H new ATOM 0 HA ASP A 53 4.523 -13.210 11.070 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.463 -14.856 12.831 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.648 -13.621 13.207 1.00 0.00 H new ATOM 850 N TRP A 54 6.835 -11.554 10.197 1.00 0.00 N ATOM 851 CA TRP A 54 7.394 -10.223 10.018 1.00 0.00 C ATOM 852 C TRP A 54 6.680 -9.493 8.888 1.00 0.00 C ATOM 853 O TRP A 54 6.177 -10.124 7.957 1.00 0.00 O ATOM 854 CB TRP A 54 8.891 -10.308 9.749 1.00 0.00 C ATOM 855 CG TRP A 54 9.617 -9.000 9.857 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.432 -8.437 8.921 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.592 -8.090 10.968 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.922 -7.243 9.381 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.419 -7.005 10.632 1.00 0.00 C ATOM 860 CE3 TRP A 54 8.952 -8.091 12.213 1.00 0.00 C ATOM 861 CZ2 TRP A 54 10.625 -5.930 11.492 1.00 0.00 C ATOM 862 CZ3 TRP A 54 9.156 -7.022 13.064 1.00 0.00 C ATOM 863 CH2 TRP A 54 9.985 -5.955 12.701 1.00 0.00 C ATOM 0 H TRP A 54 7.029 -12.207 9.438 1.00 0.00 H new ATOM 0 HA TRP A 54 7.244 -9.656 10.937 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.334 -11.014 10.451 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.045 -10.713 8.749 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.659 -8.869 7.957 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.559 -6.630 8.873 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.312 -8.911 12.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.266 -5.106 11.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.667 -7.010 14.027 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.123 -5.134 13.389 1.00 0.00 H new ATOM 874 N THR A 55 6.629 -8.169 8.985 1.00 0.00 N ATOM 875 CA THR A 55 5.956 -7.343 7.996 1.00 0.00 C ATOM 876 C THR A 55 6.642 -7.401 6.630 1.00 0.00 C ATOM 877 O THR A 55 7.864 -7.563 6.527 1.00 0.00 O ATOM 878 CB THR A 55 5.848 -5.865 8.457 1.00 0.00 C ATOM 879 OG1 THR A 55 5.274 -5.066 7.412 1.00 0.00 O ATOM 880 CG2 THR A 55 7.213 -5.308 8.832 1.00 0.00 C ATOM 0 H THR A 55 7.052 -7.642 9.749 1.00 0.00 H new ATOM 0 HA THR A 55 4.952 -7.756 7.895 1.00 0.00 H new ATOM 0 HB THR A 55 5.207 -5.832 9.338 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.629 -4.437 7.798 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.108 -4.271 9.151 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.635 -5.897 9.646 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.876 -5.356 7.968 1.00 0.00 H new ATOM 888 N VAL A 56 5.837 -7.262 5.595 1.00 0.00 N ATOM 889 CA VAL A 56 6.295 -7.285 4.226 1.00 0.00 C ATOM 890 C VAL A 56 7.016 -5.980 3.880 1.00 0.00 C ATOM 891 O VAL A 56 7.872 -5.942 2.989 1.00 0.00 O ATOM 892 CB VAL A 56 5.091 -7.497 3.264 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.093 -6.354 3.372 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.554 -7.669 1.836 1.00 0.00 C ATOM 0 H VAL A 56 4.830 -7.128 5.687 1.00 0.00 H new ATOM 0 HA VAL A 56 6.995 -8.112 4.109 1.00 0.00 H new ATOM 0 HB VAL A 56 4.588 -8.415 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.263 -6.530 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.716 -6.295 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.584 -5.416 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.690 -7.815 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.098 -6.779 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.209 -8.537 1.768 1.00 0.00 H new ATOM 904 N GLN A 57 6.685 -4.921 4.613 1.00 0.00 N ATOM 905 CA GLN A 57 7.265 -3.605 4.378 1.00 0.00 C ATOM 906 C GLN A 57 8.768 -3.643 4.638 1.00 0.00 C ATOM 907 O GLN A 57 9.574 -3.365 3.750 1.00 0.00 O ATOM 908 CB GLN A 57 6.596 -2.572 5.302 1.00 0.00 C ATOM 909 CG GLN A 57 6.633 -1.117 4.808 1.00 0.00 C ATOM 910 CD GLN A 57 8.034 -0.575 4.572 1.00 0.00 C ATOM 911 OE1 GLN A 57 8.558 -0.635 3.457 1.00 0.00 O ATOM 912 NE2 GLN A 57 8.655 -0.059 5.618 1.00 0.00 N ATOM 0 H GLN A 57 6.013 -4.951 5.380 1.00 0.00 H new ATOM 0 HA GLN A 57 7.095 -3.319 3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.555 -2.861 5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.079 -2.618 6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.067 -1.046 3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.129 -0.484 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.188 -0.027 6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.602 0.308 5.519 1.00 0.00 H new ATOM 921 N ASN A 58 9.131 -4.031 5.850 1.00 0.00 N ATOM 922 CA ASN A 58 10.529 -4.062 6.283 1.00 0.00 C ATOM 923 C ASN A 58 11.360 -5.079 5.491 1.00 0.00 C ATOM 924 O ASN A 58 12.589 -5.017 5.479 1.00 0.00 O ATOM 925 CB ASN A 58 10.603 -4.365 7.782 1.00 0.00 C ATOM 926 CG ASN A 58 12.002 -4.235 8.346 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.754 -5.206 8.401 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.354 -3.040 8.773 1.00 0.00 N ATOM 0 H ASN A 58 8.469 -4.334 6.565 1.00 0.00 H new ATOM 0 HA ASN A 58 10.956 -3.078 6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.938 -3.687 8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.238 -5.377 7.961 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.283 -2.893 9.168 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.698 -2.262 8.708 1.00 0.00 H new ATOM 935 N CYS A 59 10.693 -6.007 4.825 1.00 0.00 N ATOM 936 CA CYS A 59 11.391 -7.008 4.032 1.00 0.00 C ATOM 937 C CYS A 59 11.808 -6.441 2.665 1.00 0.00 C ATOM 938 O CYS A 59 12.544 -7.086 1.914 1.00 0.00 O ATOM 939 CB CYS A 59 10.534 -8.260 3.870 1.00 0.00 C ATOM 940 SG CYS A 59 10.154 -9.101 5.426 1.00 0.00 S ATOM 0 H CYS A 59 9.676 -6.089 4.816 1.00 0.00 H new ATOM 0 HA CYS A 59 12.301 -7.287 4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.600 -7.987 3.379 1.00 0.00 H new ATOM 0 HB3 CYS A 59 11.049 -8.957 3.209 1.00 0.00 H new ATOM 0 HG CYS A 59 9.371 -8.352 6.144 1.00 0.00 H new ATOM 946 N ASP A 60 11.326 -5.224 2.368 1.00 0.00 N ATOM 947 CA ASP A 60 11.664 -4.490 1.132 1.00 0.00 C ATOM 948 C ASP A 60 11.463 -5.326 -0.124 1.00 0.00 C ATOM 949 O ASP A 60 12.401 -5.538 -0.894 1.00 0.00 O ATOM 950 CB ASP A 60 13.109 -3.959 1.173 1.00 0.00 C ATOM 951 CG ASP A 60 13.332 -2.923 2.250 1.00 0.00 C ATOM 952 OD1 ASP A 60 12.786 -1.811 2.136 1.00 0.00 O ATOM 953 OD2 ASP A 60 14.073 -3.215 3.217 1.00 0.00 O1- ATOM 0 H ASP A 60 10.687 -4.716 2.980 1.00 0.00 H new ATOM 0 HA ASP A 60 10.972 -3.649 1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.791 -4.794 1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.358 -3.526 0.204 1.00 0.00 H new ATOM 958 N LEU A 61 10.248 -5.799 -0.334 1.00 0.00 N ATOM 959 CA LEU A 61 9.945 -6.596 -1.521 1.00 0.00 C ATOM 960 C LEU A 61 9.967 -5.739 -2.777 1.00 0.00 C ATOM 961 O LEU A 61 10.737 -5.992 -3.693 1.00 0.00 O ATOM 962 CB LEU A 61 8.593 -7.317 -1.386 1.00 0.00 C ATOM 963 CG LEU A 61 8.601 -8.626 -0.580 1.00 0.00 C ATOM 964 CD1 LEU A 61 9.018 -8.389 0.856 1.00 0.00 C ATOM 965 CD2 LEU A 61 7.240 -9.285 -0.632 1.00 0.00 C ATOM 0 H LEU A 61 9.457 -5.650 0.293 1.00 0.00 H new ATOM 0 HA LEU A 61 10.723 -7.354 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.884 -6.632 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.218 -7.533 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 61 9.334 -9.293 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.013 -9.335 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.021 -7.964 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.320 -7.697 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.262 -10.211 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.494 -8.612 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.983 -9.507 -1.668 1.00 0.00 H new ATOM 977 N ASP A 62 9.135 -4.703 -2.784 1.00 0.00 N ATOM 978 CA ASP A 62 9.020 -3.777 -3.922 1.00 0.00 C ATOM 979 C ASP A 62 10.376 -3.202 -4.343 1.00 0.00 C ATOM 980 O ASP A 62 10.639 -3.006 -5.526 1.00 0.00 O ATOM 981 CB ASP A 62 8.062 -2.632 -3.558 1.00 0.00 C ATOM 982 CG ASP A 62 8.174 -1.437 -4.490 1.00 0.00 C ATOM 983 OD1 ASP A 62 7.515 -1.432 -5.543 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.919 -0.490 -4.158 1.00 0.00 O1- ATOM 0 H ASP A 62 8.518 -4.475 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 62 8.629 -4.342 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.038 -3.004 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.265 -2.308 -2.537 1.00 0.00 H new ATOM 989 N GLN A 63 11.233 -2.964 -3.372 1.00 0.00 N ATOM 990 CA GLN A 63 12.527 -2.351 -3.628 1.00 0.00 C ATOM 991 C GLN A 63 13.515 -3.330 -4.263 1.00 0.00 C ATOM 992 O GLN A 63 14.283 -2.958 -5.146 1.00 0.00 O ATOM 993 CB GLN A 63 13.119 -1.805 -2.326 1.00 0.00 C ATOM 994 CG GLN A 63 14.464 -1.115 -2.503 1.00 0.00 C ATOM 995 CD GLN A 63 15.137 -0.788 -1.187 1.00 0.00 C ATOM 996 OE1 GLN A 63 14.926 0.280 -0.618 1.00 0.00 O ATOM 997 NE2 GLN A 63 15.965 -1.696 -0.707 1.00 0.00 N ATOM 0 H GLN A 63 11.059 -3.186 -2.392 1.00 0.00 H new ATOM 0 HA GLN A 63 12.362 -1.537 -4.334 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.415 -1.099 -1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.233 -2.626 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.121 -1.756 -3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.323 -0.196 -3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.111 -2.570 -1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.459 -1.524 0.169 1.00 0.00 H new ATOM 1006 N GLN A 64 13.483 -4.572 -3.828 1.00 0.00 N ATOM 1007 CA GLN A 64 14.477 -5.532 -4.269 1.00 0.00 C ATOM 1008 C GLN A 64 14.050 -6.341 -5.488 1.00 0.00 C ATOM 1009 O GLN A 64 14.501 -6.067 -6.601 1.00 0.00 O ATOM 1010 CB GLN A 64 14.872 -6.455 -3.125 1.00 0.00 C ATOM 1011 CG GLN A 64 15.492 -5.727 -1.950 1.00 0.00 C ATOM 1012 CD GLN A 64 15.817 -6.652 -0.806 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.913 -7.200 -0.727 1.00 0.00 O ATOM 1014 NE2 GLN A 64 14.868 -6.838 0.082 1.00 0.00 N ATOM 0 H GLN A 64 12.789 -4.939 -3.177 1.00 0.00 H new ATOM 0 HA GLN A 64 15.343 -4.949 -4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.989 -6.996 -2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.578 -7.199 -3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.402 -5.225 -2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.807 -4.953 -1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.972 -6.362 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.027 -7.458 0.876 1.00 0.00 H new HETATM 1023 N SEP A 65 13.180 -7.318 -5.294 1.00 0.00 N HETATM 1024 CA SEP A 65 12.831 -8.228 -6.375 1.00 0.00 C HETATM 1025 CB SEP A 65 13.669 -9.498 -6.258 1.00 0.00 C HETATM 1026 OG SEP A 65 15.049 -9.208 -6.379 1.00 0.00 O HETATM 1027 C SEP A 65 11.353 -8.592 -6.379 1.00 0.00 C HETATM 1028 O SEP A 65 10.588 -8.141 -5.533 1.00 0.00 O HETATM 1029 P SEP A 65 15.920 -9.967 -7.454 1.00 0.00 P HETATM 1030 O1P SEP A 65 17.357 -9.777 -7.292 1.00 0.00 O HETATM 1031 O2P SEP A 65 15.530 -11.353 -7.675 1.00 0.00 O HETATM 1032 O3P SEP A 65 15.588 -9.245 -8.820 1.00 0.00 O HETATM 0 HB3 SEP A 65 13.477 -9.977 -5.298 1.00 0.00 H new HETATM 0 HB2 SEP A 65 13.373 -10.206 -7.032 1.00 0.00 H new HETATM 0 HA SEP A 65 13.040 -7.715 -7.314 1.00 0.00 H new ATOM 1037 N ILE A 66 10.968 -9.422 -7.341 1.00 0.00 N ATOM 1038 CA ILE A 66 9.604 -9.882 -7.447 1.00 0.00 C ATOM 1039 C ILE A 66 9.448 -11.183 -6.658 1.00 0.00 C ATOM 1040 O ILE A 66 10.398 -11.969 -6.545 1.00 0.00 O ATOM 1041 CB ILE A 66 9.188 -10.089 -8.940 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.684 -10.295 -9.064 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.920 -11.271 -9.558 1.00 0.00 C ATOM 1044 CD1 ILE A 66 7.176 -10.211 -10.484 1.00 0.00 C ATOM 0 H ILE A 66 11.592 -9.788 -8.060 1.00 0.00 H new ATOM 0 HA ILE A 66 8.944 -9.122 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 66 9.467 -9.185 -9.482 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.424 -11.270 -8.651 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.172 -9.546 -8.459 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.609 -11.389 -10.596 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.995 -11.094 -9.519 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.681 -12.178 -9.002 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.097 -10.368 -10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.404 -9.227 -10.894 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.660 -10.978 -11.089 1.00 0.00 H new ATOM 1056 N VAL A 67 8.277 -11.386 -6.092 1.00 0.00 N ATOM 1057 CA VAL A 67 8.016 -12.561 -5.277 1.00 0.00 C ATOM 1058 C VAL A 67 7.587 -13.731 -6.144 1.00 0.00 C ATOM 1059 O VAL A 67 6.832 -13.561 -7.087 1.00 0.00 O ATOM 1060 CB VAL A 67 6.900 -12.284 -4.248 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.812 -13.403 -3.219 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.111 -10.946 -3.572 1.00 0.00 C ATOM 0 H VAL A 67 7.484 -10.750 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 67 8.942 -12.804 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 67 5.952 -12.248 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.017 -13.181 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.595 -14.345 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.761 -13.486 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.312 -10.773 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.071 -10.946 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.102 -10.154 -4.321 1.00 0.00 H new ATOM 1072 N HIS A 68 8.079 -14.904 -5.828 1.00 0.00 N ATOM 1073 CA HIS A 68 7.690 -16.110 -6.530 1.00 0.00 C ATOM 1074 C HIS A 68 6.900 -17.005 -5.599 1.00 0.00 C ATOM 1075 O HIS A 68 7.450 -17.584 -4.666 1.00 0.00 O ATOM 1076 CB HIS A 68 8.917 -16.861 -7.062 1.00 0.00 C ATOM 1077 CG HIS A 68 9.546 -16.244 -8.278 1.00 0.00 C ATOM 1078 ND1 HIS A 68 9.996 -17.020 -9.318 1.00 0.00 N ATOM 1079 CD2 HIS A 68 9.787 -14.941 -8.563 1.00 0.00 C ATOM 1080 CE1 HIS A 68 10.500 -16.180 -10.204 1.00 0.00 C ATOM 1081 NE2 HIS A 68 10.396 -14.914 -9.790 1.00 0.00 N ATOM 0 H HIS A 68 8.757 -15.053 -5.081 1.00 0.00 H new ATOM 0 HA HIS A 68 7.071 -15.829 -7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.664 -16.917 -6.271 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.626 -17.885 -7.299 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.546 -14.090 -7.944 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.940 -16.479 -11.144 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.711 -14.084 -10.293 1.00 0.00 H new ATOM 1089 N ILE A 69 5.615 -17.106 -5.830 1.00 0.00 N ATOM 1090 CA ILE A 69 4.776 -17.935 -4.999 1.00 0.00 C ATOM 1091 C ILE A 69 4.424 -19.214 -5.730 1.00 0.00 C ATOM 1092 O ILE A 69 3.795 -19.188 -6.789 1.00 0.00 O ATOM 1093 CB ILE A 69 3.487 -17.201 -4.563 1.00 0.00 C ATOM 1094 CG1 ILE A 69 3.842 -15.965 -3.729 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.585 -18.134 -3.774 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.638 -15.257 -3.136 1.00 0.00 C ATOM 0 H ILE A 69 5.127 -16.625 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 69 5.339 -18.173 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 69 2.949 -16.879 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.510 -16.264 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.393 -15.262 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.682 -17.601 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.313 -18.988 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.111 -18.483 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.971 -14.393 -2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.979 -14.926 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.098 -15.942 -2.483 1.00 0.00 H new ATOM 1108 N VAL A 70 4.825 -20.325 -5.166 1.00 0.00 N ATOM 1109 CA VAL A 70 4.597 -21.599 -5.786 1.00 0.00 C ATOM 1110 C VAL A 70 3.762 -22.501 -4.887 1.00 0.00 C ATOM 1111 O VAL A 70 3.980 -22.570 -3.680 1.00 0.00 O ATOM 1112 CB VAL A 70 5.939 -22.295 -6.163 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.803 -22.535 -4.936 1.00 0.00 C ATOM 1114 CG2 VAL A 70 5.692 -23.595 -6.918 1.00 0.00 C ATOM 0 H VAL A 70 5.314 -20.369 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 70 4.041 -21.421 -6.706 1.00 0.00 H new ATOM 0 HB VAL A 70 6.483 -21.621 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.731 -23.022 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.030 -21.582 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.268 -23.174 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.647 -24.058 -7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.112 -24.274 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.140 -23.384 -7.834 1.00 0.00 H new ATOM 1124 N GLN A 71 2.794 -23.164 -5.474 1.00 0.00 N ATOM 1125 CA GLN A 71 1.949 -24.071 -4.737 1.00 0.00 C ATOM 1126 C GLN A 71 2.346 -25.503 -5.039 1.00 0.00 C ATOM 1127 O GLN A 71 2.318 -25.933 -6.191 1.00 0.00 O ATOM 1128 CB GLN A 71 0.483 -23.842 -5.094 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.488 -24.669 -4.270 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.931 -24.391 -4.623 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.276 -23.291 -5.038 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -2.779 -25.384 -4.457 1.00 0.00 N ATOM 0 H GLN A 71 2.572 -23.091 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 71 2.076 -23.884 -3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.248 -22.786 -4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.336 -24.072 -6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.278 -25.728 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.330 -24.461 -3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.449 -26.284 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.766 -25.253 -4.677 1.00 0.00 H new ATOM 1141 N ARG A 72 2.732 -26.224 -4.013 1.00 0.00 N ATOM 1142 CA ARG A 72 3.117 -27.614 -4.154 1.00 0.00 C ATOM 1143 C ARG A 72 2.389 -28.456 -3.121 1.00 0.00 C ATOM 1144 O ARG A 72 2.870 -28.637 -2.004 1.00 0.00 O ATOM 1145 CB ARG A 72 4.641 -27.784 -4.028 1.00 0.00 C ATOM 1146 CG ARG A 72 5.421 -27.163 -5.180 1.00 0.00 C ATOM 1147 CD ARG A 72 6.921 -27.385 -5.039 1.00 0.00 C ATOM 1148 NE ARG A 72 7.665 -26.812 -6.173 1.00 0.00 N ATOM 1149 CZ ARG A 72 8.981 -26.548 -6.166 1.00 0.00 C ATOM 1150 NH1 ARG A 72 9.709 -26.793 -5.081 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 9.560 -26.033 -7.248 1.00 0.00 N ATOM 0 H ARG A 72 2.789 -25.868 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 72 2.833 -27.955 -5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.972 -27.334 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.876 -28.847 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.078 -27.591 -6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.215 -26.093 -5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.270 -26.934 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.126 -28.453 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 72 7.144 -26.601 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.268 -27.184 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.709 -26.590 -5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.004 -25.840 -8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.560 -25.832 -7.244 1.00 0.00 H new ATOM 1165 N PRO A 73 1.195 -28.950 -3.475 1.00 0.00 N ATOM 1166 CA PRO A 73 0.369 -29.732 -2.571 1.00 0.00 C ATOM 1167 C PRO A 73 0.900 -31.137 -2.354 1.00 0.00 C ATOM 1168 O PRO A 73 0.966 -31.948 -3.288 1.00 0.00 O ATOM 1169 CB PRO A 73 -1.008 -29.780 -3.267 1.00 0.00 C ATOM 1170 CG PRO A 73 -0.900 -28.858 -4.440 1.00 0.00 C ATOM 1171 CD PRO A 73 0.553 -28.789 -4.781 1.00 0.00 C ATOM 0 HA PRO A 73 0.341 -29.285 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.250 -30.794 -3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.800 -29.461 -2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.481 -29.231 -5.284 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.290 -27.870 -4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.844 -29.577 -5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.815 -27.839 -5.247 1.00 0.00 H new ATOM 1179 N TRP A 74 1.293 -31.420 -1.128 1.00 0.00 N ATOM 1180 CA TRP A 74 1.753 -32.743 -0.766 1.00 0.00 C ATOM 1181 C TRP A 74 0.551 -33.636 -0.518 1.00 0.00 C ATOM 1182 O TRP A 74 0.621 -34.858 -0.659 1.00 0.00 O ATOM 1183 CB TRP A 74 2.628 -32.690 0.492 1.00 0.00 C ATOM 1184 CG TRP A 74 3.781 -31.736 0.391 1.00 0.00 C ATOM 1185 CD1 TRP A 74 4.900 -31.874 -0.379 1.00 0.00 C ATOM 1186 CD2 TRP A 74 3.928 -30.499 1.097 1.00 0.00 C ATOM 1187 NE1 TRP A 74 5.733 -30.795 -0.195 1.00 0.00 N ATOM 1188 CE2 TRP A 74 5.156 -29.936 0.704 1.00 0.00 C ATOM 1189 CE3 TRP A 74 3.137 -29.811 2.020 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 5.612 -28.721 1.205 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 3.589 -28.604 2.516 1.00 0.00 C ATOM 1192 CH2 TRP A 74 4.816 -28.071 2.107 1.00 0.00 C ATOM 0 H TRP A 74 1.302 -30.746 -0.363 1.00 0.00 H new ATOM 0 HA TRP A 74 2.353 -33.144 -1.583 1.00 0.00 H new ATOM 0 HB2 TRP A 74 2.008 -32.406 1.342 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.013 -33.689 0.697 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.101 -32.707 -1.036 1.00 0.00 H new ATOM 0 HE1 TRP A 74 6.634 -30.657 -0.653 1.00 0.00 H new ATOM 0 HE3 TRP A 74 2.188 -30.216 2.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 6.559 -28.307 0.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 2.986 -28.063 3.231 1.00 0.00 H new ATOM 0 HH2 TRP A 74 5.142 -27.125 2.513 1.00 0.00 H new ATOM 1203 N ARG A 75 -0.555 -33.002 -0.155 1.00 0.00 N ATOM 1204 CA ARG A 75 -1.792 -33.696 0.121 1.00 0.00 C ATOM 1205 C ARG A 75 -2.970 -32.734 -0.064 1.00 0.00 C ATOM 1206 O ARG A 75 -3.236 -31.893 0.797 1.00 0.00 O ATOM 1207 CB ARG A 75 -1.770 -34.240 1.557 1.00 0.00 C ATOM 1208 CG ARG A 75 -2.847 -35.273 1.871 1.00 0.00 C ATOM 1209 CD ARG A 75 -2.602 -36.591 1.140 1.00 0.00 C ATOM 1210 NE ARG A 75 -2.946 -36.521 -0.283 1.00 0.00 N ATOM 1211 CZ ARG A 75 -2.298 -37.177 -1.253 1.00 0.00 C ATOM 1212 NH1 ARG A 75 -1.236 -37.919 -0.966 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 -2.706 -37.081 -2.509 1.00 0.00 N ATOM 0 H ARG A 75 -0.614 -31.990 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.905 -34.532 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.794 -34.686 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.877 -33.404 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.875 -35.454 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.823 -34.877 1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.553 -36.869 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.189 -37.379 1.613 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.734 -35.932 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.910 -37.991 -0.002 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.746 -38.417 -1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.516 -36.506 -2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.210 -37.582 -3.246 1.00 0.00 H new ATOM 1227 N LYS A 76 -3.641 -32.833 -1.199 1.00 0.00 N ATOM 1228 CA LYS A 76 -4.773 -31.969 -1.489 1.00 0.00 C ATOM 1229 C LYS A 76 -6.010 -32.794 -1.838 1.00 0.00 C ATOM 1230 O LYS A 76 -6.235 -33.061 -3.038 1.00 0.00 O ATOM 1231 CB LYS A 76 -4.441 -31.024 -2.635 1.00 0.00 C ATOM 1232 CG LYS A 76 -5.532 -30.000 -2.913 1.00 0.00 C ATOM 1233 CD LYS A 76 -5.486 -29.515 -4.348 1.00 0.00 C ATOM 1234 CE LYS A 76 -5.729 -30.661 -5.318 1.00 0.00 C ATOM 1235 NZ LYS A 76 -7.033 -31.330 -5.079 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -6.740 -33.189 -0.913 1.00 0.00 O ATOM 0 H LYS A 76 -3.421 -33.504 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.987 -31.382 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.512 -30.501 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.264 -31.609 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.507 -30.441 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.417 -29.152 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.238 -28.741 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.516 -29.061 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.698 -30.283 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.925 -31.391 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.348 -31.799 -5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.927 -32.038 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.739 -30.622 -4.792 1.00 0.00 H new TER 1250 LYS A 76