USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.019) USER MOD Single : A 12 GLN : amide:sc= -0.0115 K(o=-0.012,f=-0.94) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 1.2 (180deg=0.513) USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= 1.2 (180deg=-0.192!) USER MOD Single : A 15 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 25 TYR OH : rot 173:sc= -0.853 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0843 USER MOD Single : A 27 LYS NZ :NH3+ -106:sc= 1.17 (180deg=-0.753) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 1.28 (180deg=0.692) USER MOD Single : A 32 LYS NZ :NH3+ -117:sc= -3.25! (180deg=-6.44!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 40 SER OG : rot -80:sc= 1.06 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -6.71! K(o=-6.7!,f=-0.49) USER MOD Single : A 61 GLN : amide:sc= -3.72! C(o=-3.7!,f=-1.9!) USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 0.294 (180deg=0.269) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.632 -2.573 0.046 1.00 0.00 N ATOM 2 CA ASN A 5 17.887 -2.793 1.279 1.00 0.00 C ATOM 3 C ASN A 5 16.503 -2.202 1.125 1.00 0.00 C ATOM 4 O ASN A 5 15.511 -2.766 1.574 1.00 0.00 O ATOM 5 CB ASN A 5 18.597 -2.130 2.455 1.00 0.00 C ATOM 6 CG ASN A 5 17.938 -2.451 3.780 1.00 0.00 C ATOM 7 OD1 ASN A 5 17.874 -1.609 4.675 1.00 0.00 O ATOM 8 ND2 ASN A 5 17.470 -3.682 3.922 1.00 0.00 N ATOM 0 HA ASN A 5 17.819 -3.863 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.636 -2.457 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 5 18.606 -1.050 2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 5 17.035 -3.964 4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 5 17.544 -4.348 3.153 1.00 0.00 H new ATOM 15 N GLU A 6 16.469 -1.064 0.460 1.00 0.00 N ATOM 16 CA GLU A 6 15.227 -0.371 0.146 1.00 0.00 C ATOM 17 C GLU A 6 14.373 -1.205 -0.798 1.00 0.00 C ATOM 18 O GLU A 6 13.157 -1.257 -0.652 1.00 0.00 O ATOM 19 CB GLU A 6 15.544 0.990 -0.474 1.00 0.00 C ATOM 20 CG GLU A 6 16.909 1.038 -1.140 1.00 0.00 C ATOM 21 CD GLU A 6 17.124 2.274 -1.983 1.00 0.00 C ATOM 22 OE1 GLU A 6 16.731 2.257 -3.169 1.00 0.00 O ATOM 23 OE2 GLU A 6 17.714 3.246 -1.471 1.00 0.00 O ATOM 0 H GLU A 6 17.304 -0.589 0.119 1.00 0.00 H new ATOM 0 HA GLU A 6 14.661 -0.219 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.778 1.234 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.497 1.755 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.681 0.992 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.030 0.154 -1.767 1.00 0.00 H new ATOM 30 N ARG A 7 15.016 -1.858 -1.762 1.00 0.00 N ATOM 31 CA ARG A 7 14.329 -2.800 -2.637 1.00 0.00 C ATOM 32 C ARG A 7 13.683 -3.914 -1.819 1.00 0.00 C ATOM 33 O ARG A 7 12.540 -4.297 -2.072 1.00 0.00 O ATOM 34 CB ARG A 7 15.300 -3.392 -3.661 1.00 0.00 C ATOM 35 CG ARG A 7 15.020 -2.946 -5.088 1.00 0.00 C ATOM 36 CD ARG A 7 13.531 -2.963 -5.387 1.00 0.00 C ATOM 37 NE ARG A 7 13.251 -3.076 -6.820 1.00 0.00 N ATOM 38 CZ ARG A 7 12.028 -3.204 -7.331 1.00 0.00 C ATOM 39 NH1 ARG A 7 10.970 -3.159 -6.536 1.00 0.00 N ATOM 40 NH2 ARG A 7 11.863 -3.370 -8.639 1.00 0.00 N ATOM 0 H ARG A 7 16.012 -1.751 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 7 13.547 -2.261 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.317 -3.108 -3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 7 15.250 -4.480 -3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.413 -1.941 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.541 -3.602 -5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.067 -3.798 -4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.075 -2.051 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 7 14.040 -3.055 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.092 -3.026 -5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.033 -3.257 -6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.675 -3.400 -9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.924 -3.468 -9.026 1.00 0.00 H new ATOM 54 N ARG A 8 14.412 -4.412 -0.823 1.00 0.00 N ATOM 55 CA ARG A 8 13.901 -5.465 0.041 1.00 0.00 C ATOM 56 C ARG A 8 12.744 -4.941 0.888 1.00 0.00 C ATOM 57 O ARG A 8 11.722 -5.612 1.046 1.00 0.00 O ATOM 58 CB ARG A 8 15.014 -6.021 0.937 1.00 0.00 C ATOM 59 CG ARG A 8 14.623 -7.323 1.624 1.00 0.00 C ATOM 60 CD ARG A 8 15.826 -8.100 2.136 1.00 0.00 C ATOM 61 NE ARG A 8 16.583 -7.380 3.159 1.00 0.00 N ATOM 62 CZ ARG A 8 16.567 -7.697 4.458 1.00 0.00 C ATOM 63 NH1 ARG A 8 15.798 -8.691 4.900 1.00 0.00 N ATOM 64 NH2 ARG A 8 17.333 -7.029 5.311 1.00 0.00 N ATOM 0 H ARG A 8 15.357 -4.102 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 8 13.533 -6.276 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.909 -6.187 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.270 -5.279 1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.956 -7.103 2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.065 -7.945 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.488 -9.052 2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.486 -8.329 1.299 1.00 0.00 H new ATOM 0 HE ARG A 8 17.157 -6.590 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.217 -9.215 4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.791 -8.928 5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.933 -6.275 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.322 -7.269 6.302 1.00 0.00 H new ATOM 78 N ILE A 9 12.916 -3.739 1.426 1.00 0.00 N ATOM 79 CA ILE A 9 11.874 -3.075 2.197 1.00 0.00 C ATOM 80 C ILE A 9 10.608 -2.892 1.366 1.00 0.00 C ATOM 81 O ILE A 9 9.513 -3.263 1.785 1.00 0.00 O ATOM 82 CB ILE A 9 12.340 -1.679 2.643 1.00 0.00 C ATOM 83 CG1 ILE A 9 13.485 -1.761 3.642 1.00 0.00 C ATOM 84 CG2 ILE A 9 11.174 -0.875 3.220 1.00 0.00 C ATOM 85 CD1 ILE A 9 14.086 -0.402 3.916 1.00 0.00 C ATOM 0 H ILE A 9 13.778 -3.200 1.340 1.00 0.00 H new ATOM 0 HA ILE A 9 11.666 -3.705 3.062 1.00 0.00 H new ATOM 0 HB ILE A 9 12.712 -1.161 1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.124 -2.194 4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.256 -2.429 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.528 0.109 3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.400 -0.761 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.762 -1.399 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.900 -0.502 4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.471 0.020 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.321 0.258 4.325 1.00 0.00 H new ATOM 97 N LEU A 10 10.793 -2.321 0.183 1.00 0.00 N ATOM 98 CA LEU A 10 9.699 -1.925 -0.680 1.00 0.00 C ATOM 99 C LEU A 10 8.810 -3.099 -1.048 1.00 0.00 C ATOM 100 O LEU A 10 7.593 -3.015 -0.917 1.00 0.00 O ATOM 101 CB LEU A 10 10.268 -1.279 -1.937 1.00 0.00 C ATOM 102 CG LEU A 10 9.250 -0.559 -2.813 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.666 0.631 -2.062 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.896 -0.106 -4.110 1.00 0.00 C ATOM 0 H LEU A 10 11.715 -2.120 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 10 9.077 -1.212 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.039 -0.567 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.756 -2.050 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 10 8.442 -1.249 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.939 1.140 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.174 0.282 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.466 1.323 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.156 0.407 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.718 0.574 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.278 -0.973 -4.649 1.00 0.00 H new ATOM 116 N GLU A 11 9.409 -4.195 -1.497 1.00 0.00 N ATOM 117 CA GLU A 11 8.620 -5.341 -1.945 1.00 0.00 C ATOM 118 C GLU A 11 7.986 -6.062 -0.766 1.00 0.00 C ATOM 119 O GLU A 11 6.877 -6.596 -0.871 1.00 0.00 O ATOM 120 CB GLU A 11 9.467 -6.307 -2.764 1.00 0.00 C ATOM 121 CG GLU A 11 10.086 -5.658 -3.991 1.00 0.00 C ATOM 122 CD GLU A 11 9.078 -4.876 -4.821 1.00 0.00 C ATOM 123 OE1 GLU A 11 8.363 -5.485 -5.637 1.00 0.00 O ATOM 124 OE2 GLU A 11 9.010 -3.639 -4.674 1.00 0.00 O ATOM 0 H GLU A 11 10.420 -4.317 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 11 7.823 -4.960 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.260 -6.711 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.849 -7.148 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.887 -4.989 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.541 -6.429 -4.613 1.00 0.00 H new ATOM 131 N GLN A 12 8.688 -6.069 0.360 1.00 0.00 N ATOM 132 CA GLN A 12 8.140 -6.613 1.587 1.00 0.00 C ATOM 133 C GLN A 12 6.884 -5.843 1.976 1.00 0.00 C ATOM 134 O GLN A 12 5.821 -6.429 2.226 1.00 0.00 O ATOM 135 CB GLN A 12 9.168 -6.522 2.715 1.00 0.00 C ATOM 136 CG GLN A 12 8.675 -7.097 4.029 1.00 0.00 C ATOM 137 CD GLN A 12 9.618 -6.821 5.180 1.00 0.00 C ATOM 138 OE1 GLN A 12 10.317 -5.808 5.202 1.00 0.00 O ATOM 139 NE2 GLN A 12 9.636 -7.721 6.147 1.00 0.00 N ATOM 0 H GLN A 12 9.637 -5.704 0.445 1.00 0.00 H new ATOM 0 HA GLN A 12 7.888 -7.661 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.074 -7.048 2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.441 -5.477 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.696 -6.678 4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.544 -8.174 3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.039 -8.546 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.247 -7.591 6.954 1.00 0.00 H new ATOM 148 N LYS A 13 7.005 -4.521 1.999 1.00 0.00 N ATOM 149 CA LYS A 13 5.878 -3.673 2.341 1.00 0.00 C ATOM 150 C LYS A 13 4.823 -3.707 1.250 1.00 0.00 C ATOM 151 O LYS A 13 3.653 -3.618 1.545 1.00 0.00 O ATOM 152 CB LYS A 13 6.310 -2.230 2.623 1.00 0.00 C ATOM 153 CG LYS A 13 7.068 -2.058 3.934 1.00 0.00 C ATOM 154 CD LYS A 13 6.263 -2.548 5.131 1.00 0.00 C ATOM 155 CE LYS A 13 7.003 -2.294 6.433 1.00 0.00 C ATOM 156 NZ LYS A 13 6.241 -2.773 7.614 1.00 0.00 N ATOM 0 H LYS A 13 7.867 -4.019 1.786 1.00 0.00 H new ATOM 0 HA LYS A 13 5.445 -4.072 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.938 -1.882 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.426 -1.593 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.009 -2.605 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.318 -1.006 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.297 -2.043 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.063 -3.614 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.972 -2.792 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.197 -1.226 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.872 -2.816 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.457 -2.118 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.860 -3.721 7.420 1.00 0.00 H new ATOM 170 N LYS A 14 5.237 -3.851 -0.003 1.00 0.00 N ATOM 171 CA LYS A 14 4.300 -3.985 -1.114 1.00 0.00 C ATOM 172 C LYS A 14 3.263 -5.063 -0.814 1.00 0.00 C ATOM 173 O LYS A 14 2.052 -4.832 -0.912 1.00 0.00 O ATOM 174 CB LYS A 14 5.062 -4.347 -2.385 1.00 0.00 C ATOM 175 CG LYS A 14 4.238 -4.190 -3.647 1.00 0.00 C ATOM 176 CD LYS A 14 5.059 -4.469 -4.895 1.00 0.00 C ATOM 177 CE LYS A 14 5.793 -3.228 -5.393 1.00 0.00 C ATOM 178 NZ LYS A 14 6.727 -3.555 -6.496 1.00 0.00 N ATOM 0 H LYS A 14 6.219 -3.878 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 14 3.785 -3.035 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.949 -3.718 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.407 -5.378 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.387 -4.870 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.836 -3.178 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.783 -5.256 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.404 -4.842 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.069 -2.489 -5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.345 -2.776 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.514 -2.875 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.101 -4.516 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.223 -3.504 -7.404 1.00 0.00 H new ATOM 192 N HIS A 15 3.750 -6.228 -0.413 1.00 0.00 N ATOM 193 CA HIS A 15 2.864 -7.340 -0.098 1.00 0.00 C ATOM 194 C HIS A 15 2.002 -7.015 1.110 1.00 0.00 C ATOM 195 O HIS A 15 0.793 -7.224 1.090 1.00 0.00 O ATOM 196 CB HIS A 15 3.650 -8.626 0.170 1.00 0.00 C ATOM 197 CG HIS A 15 2.759 -9.812 0.435 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.113 -10.862 1.259 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.512 -10.100 -0.018 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.121 -11.736 1.300 1.00 0.00 C ATOM 201 NE2 HIS A 15 1.139 -11.300 0.534 1.00 0.00 N ATOM 0 H HIS A 15 4.744 -6.428 -0.299 1.00 0.00 H new ATOM 0 HA HIS A 15 2.225 -7.498 -0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.288 -8.841 -0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.307 -8.473 1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.921 -9.495 -0.690 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.116 -12.655 1.867 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.250 -11.776 0.378 1.00 0.00 H new ATOM 210 N TYR A 16 2.620 -6.506 2.163 1.00 0.00 N ATOM 211 CA TYR A 16 1.895 -6.272 3.400 1.00 0.00 C ATOM 212 C TYR A 16 1.083 -4.986 3.370 1.00 0.00 C ATOM 213 O TYR A 16 0.241 -4.766 4.228 1.00 0.00 O ATOM 214 CB TYR A 16 2.835 -6.329 4.595 1.00 0.00 C ATOM 215 CG TYR A 16 3.277 -7.747 4.868 1.00 0.00 C ATOM 216 CD1 TYR A 16 2.332 -8.759 4.979 1.00 0.00 C ATOM 217 CD2 TYR A 16 4.619 -8.088 4.969 1.00 0.00 C ATOM 218 CE1 TYR A 16 2.704 -10.064 5.195 1.00 0.00 C ATOM 219 CE2 TYR A 16 5.002 -9.400 5.177 1.00 0.00 C ATOM 220 CZ TYR A 16 4.039 -10.381 5.291 1.00 0.00 C ATOM 221 OH TYR A 16 4.419 -11.687 5.481 1.00 0.00 O ATOM 0 H TYR A 16 3.607 -6.250 2.187 1.00 0.00 H new ATOM 0 HA TYR A 16 1.169 -7.078 3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.707 -5.702 4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.335 -5.924 5.475 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.283 -8.515 4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.373 -7.319 4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.954 -10.835 5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.049 -9.655 5.250 1.00 0.00 H new ATOM 0 HH TYR A 16 5.397 -11.740 5.526 1.00 0.00 H new ATOM 231 N PHE A 17 1.321 -4.160 2.368 1.00 0.00 N ATOM 232 CA PHE A 17 0.480 -3.014 2.116 1.00 0.00 C ATOM 233 C PHE A 17 -0.760 -3.469 1.371 1.00 0.00 C ATOM 234 O PHE A 17 -1.811 -2.862 1.488 1.00 0.00 O ATOM 235 CB PHE A 17 1.238 -1.961 1.319 1.00 0.00 C ATOM 236 CG PHE A 17 0.452 -0.714 1.071 1.00 0.00 C ATOM 237 CD1 PHE A 17 -0.076 -0.002 2.133 1.00 0.00 C ATOM 238 CD2 PHE A 17 0.239 -0.256 -0.217 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.803 1.147 1.916 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.489 0.896 -0.440 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.009 1.600 0.627 1.00 0.00 C ATOM 0 H PHE A 17 2.096 -4.266 1.714 1.00 0.00 H new ATOM 0 HA PHE A 17 0.184 -2.561 3.062 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.153 -1.703 1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.537 -2.388 0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.084 -0.351 3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.645 -0.804 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.212 1.694 2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.651 1.246 -1.449 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.576 2.503 0.455 1.00 0.00 H new ATOM 251 N TRP A 18 -0.631 -4.557 0.623 1.00 0.00 N ATOM 252 CA TRP A 18 -1.791 -5.190 -0.008 1.00 0.00 C ATOM 253 C TRP A 18 -2.515 -5.993 1.052 1.00 0.00 C ATOM 254 O TRP A 18 -3.730 -6.109 1.052 1.00 0.00 O ATOM 255 CB TRP A 18 -1.359 -6.094 -1.170 1.00 0.00 C ATOM 256 CG TRP A 18 -2.465 -6.631 -2.071 1.00 0.00 C ATOM 257 CD1 TRP A 18 -2.289 -7.613 -3.003 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.872 -6.243 -2.180 1.00 0.00 C ATOM 259 NE1 TRP A 18 -3.456 -7.859 -3.674 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.435 -7.054 -3.191 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.718 -5.314 -1.541 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.769 -6.969 -3.576 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -6.054 -5.235 -1.940 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.557 -6.058 -2.946 1.00 0.00 C ATOM 0 H TRP A 18 0.258 -5.021 0.437 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.451 -4.428 -0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.656 -5.538 -1.790 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.816 -6.943 -0.756 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.356 -8.126 -3.186 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.572 -8.543 -4.422 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.340 -4.675 -0.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.166 -7.607 -4.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.709 -4.523 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.595 -5.970 -3.231 1.00 0.00 H new ATOM 275 N LEU A 19 -1.742 -6.497 1.995 1.00 0.00 N ATOM 276 CA LEU A 19 -2.291 -7.225 3.116 1.00 0.00 C ATOM 277 C LEU A 19 -3.033 -6.224 3.991 1.00 0.00 C ATOM 278 O LEU A 19 -4.076 -6.512 4.576 1.00 0.00 O ATOM 279 CB LEU A 19 -1.155 -7.894 3.894 1.00 0.00 C ATOM 280 CG LEU A 19 -1.436 -9.311 4.382 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.713 -10.329 3.511 1.00 0.00 C ATOM 282 CD2 LEU A 19 -1.015 -9.453 5.830 1.00 0.00 C ATOM 0 H LEU A 19 -0.725 -6.413 2.004 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.975 -8.006 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.269 -7.916 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.914 -7.273 4.757 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.507 -9.502 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.925 -11.335 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.056 -10.235 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.361 -10.147 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.219 -10.468 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.052 -9.248 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.574 -8.746 6.442 1.00 0.00 H new ATOM 294 N LEU A 20 -2.473 -5.026 4.025 1.00 0.00 N ATOM 295 CA LEU A 20 -3.051 -3.886 4.725 1.00 0.00 C ATOM 296 C LEU A 20 -4.288 -3.364 3.974 1.00 0.00 C ATOM 297 O LEU A 20 -5.357 -3.197 4.565 1.00 0.00 O ATOM 298 CB LEU A 20 -1.971 -2.791 4.819 1.00 0.00 C ATOM 299 CG LEU A 20 -2.161 -1.682 5.858 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.408 -0.860 5.584 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.184 -2.278 7.260 1.00 0.00 C ATOM 0 H LEU A 20 -1.590 -4.813 3.560 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.374 -4.181 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.018 -3.279 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.886 -2.320 3.840 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.314 -1.000 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.507 -0.084 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.330 -0.397 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.284 -1.508 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.320 -1.482 7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.007 -2.988 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.242 -2.791 7.453 1.00 0.00 H new ATOM 313 N LEU A 21 -4.131 -3.135 2.670 1.00 0.00 N ATOM 314 CA LEU A 21 -5.144 -2.513 1.843 1.00 0.00 C ATOM 315 C LEU A 21 -6.304 -3.499 1.613 1.00 0.00 C ATOM 316 O LEU A 21 -7.445 -3.084 1.442 1.00 0.00 O ATOM 317 CB LEU A 21 -4.445 -2.075 0.534 1.00 0.00 C ATOM 318 CG LEU A 21 -5.091 -0.980 -0.351 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.610 -0.942 -0.271 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.482 0.362 -0.004 1.00 0.00 C ATOM 0 H LEU A 21 -3.283 -3.382 2.160 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.587 -1.637 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.444 -1.732 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.324 -2.965 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.873 -1.229 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.989 -0.150 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.016 -1.900 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.915 -0.748 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.933 1.137 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.667 0.585 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.408 0.332 -0.185 1.00 0.00 H new ATOM 332 N GLN A 22 -6.027 -4.807 1.648 1.00 0.00 N ATOM 333 CA GLN A 22 -7.095 -5.802 1.486 1.00 0.00 C ATOM 334 C GLN A 22 -7.843 -6.005 2.797 1.00 0.00 C ATOM 335 O GLN A 22 -9.064 -6.144 2.810 1.00 0.00 O ATOM 336 CB GLN A 22 -6.554 -7.146 0.986 1.00 0.00 C ATOM 337 CG GLN A 22 -7.640 -8.203 0.803 1.00 0.00 C ATOM 338 CD GLN A 22 -7.110 -9.501 0.223 1.00 0.00 C ATOM 339 OE1 GLN A 22 -6.668 -10.383 0.956 1.00 0.00 O ATOM 340 NE2 GLN A 22 -7.192 -9.648 -1.092 1.00 0.00 N ATOM 0 H GLN A 22 -5.094 -5.196 1.784 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.782 -5.414 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.042 -6.993 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.811 -7.516 1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.108 -8.406 1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.417 -7.809 0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.565 -8.893 -1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.882 -10.516 -1.528 1.00 0.00 H new ATOM 349 N ARG A 23 -7.102 -6.027 3.900 1.00 0.00 N ATOM 350 CA ARG A 23 -7.703 -6.162 5.220 1.00 0.00 C ATOM 351 C ARG A 23 -8.595 -4.962 5.515 1.00 0.00 C ATOM 352 O ARG A 23 -9.615 -5.081 6.197 1.00 0.00 O ATOM 353 CB ARG A 23 -6.605 -6.326 6.277 1.00 0.00 C ATOM 354 CG ARG A 23 -7.099 -6.268 7.710 1.00 0.00 C ATOM 355 CD ARG A 23 -6.773 -4.935 8.361 1.00 0.00 C ATOM 356 NE ARG A 23 -5.341 -4.617 8.297 1.00 0.00 N ATOM 357 CZ ARG A 23 -4.592 -4.368 9.363 1.00 0.00 C ATOM 358 NH1 ARG A 23 -5.112 -4.379 10.584 1.00 0.00 N ATOM 359 NH2 ARG A 23 -3.313 -4.112 9.194 1.00 0.00 N ATOM 0 H ARG A 23 -6.085 -5.953 3.905 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.330 -7.053 5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.104 -7.281 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.858 -5.545 6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.177 -6.430 7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.645 -7.075 8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.340 -4.145 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.092 -4.955 9.403 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.896 -4.586 7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.103 -4.581 10.714 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.520 -4.185 11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.913 -4.107 8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.721 -3.918 10.001 1.00 0.00 H new ATOM 373 N THR A 24 -8.213 -3.811 4.982 1.00 0.00 N ATOM 374 CA THR A 24 -9.039 -2.628 5.099 1.00 0.00 C ATOM 375 C THR A 24 -10.132 -2.650 4.036 1.00 0.00 C ATOM 376 O THR A 24 -11.298 -2.885 4.345 1.00 0.00 O ATOM 377 CB THR A 24 -8.211 -1.337 4.968 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.059 -1.409 5.819 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.047 -0.122 5.340 1.00 0.00 C ATOM 0 H THR A 24 -7.342 -3.675 4.469 1.00 0.00 H new ATOM 0 HA THR A 24 -9.489 -2.636 6.092 1.00 0.00 H new ATOM 0 HB THR A 24 -7.892 -1.236 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.387 -1.995 5.411 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.443 0.780 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.909 -0.056 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.389 -0.218 6.370 1.00 0.00 H new ATOM 387 N TYR A 25 -9.747 -2.444 2.783 1.00 0.00 N ATOM 388 CA TYR A 25 -10.699 -2.460 1.683 1.00 0.00 C ATOM 389 C TYR A 25 -10.739 -3.860 1.092 1.00 0.00 C ATOM 390 O TYR A 25 -9.954 -4.205 0.201 1.00 0.00 O ATOM 391 CB TYR A 25 -10.327 -1.414 0.626 1.00 0.00 C ATOM 392 CG TYR A 25 -10.111 -0.028 1.202 1.00 0.00 C ATOM 393 CD1 TYR A 25 -10.727 0.362 2.386 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.274 0.883 0.574 1.00 0.00 C ATOM 395 CE1 TYR A 25 -10.519 1.615 2.918 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.060 2.138 1.106 1.00 0.00 C ATOM 397 CZ TYR A 25 -9.681 2.495 2.275 1.00 0.00 C ATOM 398 OH TYR A 25 -9.457 3.734 2.803 1.00 0.00 O ATOM 0 H TYR A 25 -8.782 -2.264 2.505 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.692 -2.200 2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.419 -1.732 0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.117 -1.369 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.380 -0.330 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.782 0.605 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.011 1.905 3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.406 2.836 0.604 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.753 4.185 2.292 1.00 0.00 H new ATOM 408 N THR A 26 -11.652 -4.652 1.625 1.00 0.00 N ATOM 409 CA THR A 26 -11.665 -6.089 1.429 1.00 0.00 C ATOM 410 C THR A 26 -12.277 -6.509 0.092 1.00 0.00 C ATOM 411 O THR A 26 -12.445 -5.701 -0.824 1.00 0.00 O ATOM 412 CB THR A 26 -12.462 -6.740 2.570 1.00 0.00 C ATOM 413 OG1 THR A 26 -12.652 -5.781 3.621 1.00 0.00 O ATOM 414 CG2 THR A 26 -11.734 -7.957 3.123 1.00 0.00 C ATOM 0 H THR A 26 -12.413 -4.311 2.212 1.00 0.00 H new ATOM 0 HA THR A 26 -10.627 -6.423 1.425 1.00 0.00 H new ATOM 0 HB THR A 26 -13.425 -7.066 2.177 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.161 -6.192 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.321 -8.397 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.599 -8.692 2.329 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.760 -7.655 3.507 1.00 0.00 H new ATOM 422 N LYS A 27 -12.573 -7.802 -0.008 1.00 0.00 N ATOM 423 CA LYS A 27 -13.200 -8.376 -1.186 1.00 0.00 C ATOM 424 C LYS A 27 -14.587 -7.767 -1.405 1.00 0.00 C ATOM 425 O LYS A 27 -14.976 -7.476 -2.536 1.00 0.00 O ATOM 426 CB LYS A 27 -13.304 -9.896 -1.009 1.00 0.00 C ATOM 427 CG LYS A 27 -12.237 -10.455 -0.071 1.00 0.00 C ATOM 428 CD LYS A 27 -12.304 -11.975 0.057 1.00 0.00 C ATOM 429 CE LYS A 27 -11.875 -12.702 -1.213 1.00 0.00 C ATOM 430 NZ LYS A 27 -10.419 -12.561 -1.496 1.00 0.00 N ATOM 0 H LYS A 27 -12.383 -8.480 0.730 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.592 -8.154 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.291 -10.145 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.214 -10.378 -1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.251 -10.168 -0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.354 -10.006 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.667 -12.292 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.323 -12.268 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.122 -13.760 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.444 -12.314 -2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.282 -11.901 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.935 -12.194 -0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.022 -13.489 -1.746 1.00 0.00 H new ATOM 444 N THR A 28 -15.328 -7.572 -0.317 1.00 0.00 N ATOM 445 CA THR A 28 -16.648 -6.958 -0.399 1.00 0.00 C ATOM 446 C THR A 28 -16.877 -5.958 0.739 1.00 0.00 C ATOM 447 O THR A 28 -17.594 -4.973 0.559 1.00 0.00 O ATOM 448 CB THR A 28 -17.761 -8.029 -0.387 1.00 0.00 C ATOM 449 OG1 THR A 28 -19.053 -7.419 -0.516 1.00 0.00 O ATOM 450 CG2 THR A 28 -17.707 -8.854 0.890 1.00 0.00 C ATOM 0 H THR A 28 -15.038 -7.829 0.626 1.00 0.00 H new ATOM 0 HA THR A 28 -16.689 -6.417 -1.344 1.00 0.00 H new ATOM 0 HB THR A 28 -17.595 -8.690 -1.238 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.745 -8.113 -0.508 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.501 -9.601 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.740 -9.353 0.960 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.841 -8.200 1.752 1.00 0.00 H new ATOM 458 N GLY A 29 -16.270 -6.225 1.906 1.00 0.00 N ATOM 459 CA GLY A 29 -16.452 -5.398 3.075 1.00 0.00 C ATOM 460 C GLY A 29 -16.338 -3.910 2.799 1.00 0.00 C ATOM 461 O GLY A 29 -17.325 -3.177 2.854 1.00 0.00 O ATOM 0 H GLY A 29 -15.646 -7.019 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.432 -5.604 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.711 -5.677 3.824 1.00 0.00 H new ATOM 465 N LYS A 30 -15.123 -3.462 2.525 1.00 0.00 N ATOM 466 CA LYS A 30 -14.888 -2.086 2.121 1.00 0.00 C ATOM 467 C LYS A 30 -14.496 -2.051 0.653 1.00 0.00 C ATOM 468 O LYS A 30 -13.618 -2.800 0.228 1.00 0.00 O ATOM 469 CB LYS A 30 -13.777 -1.450 2.964 1.00 0.00 C ATOM 470 CG LYS A 30 -14.089 -1.376 4.453 1.00 0.00 C ATOM 471 CD LYS A 30 -15.055 -0.246 4.773 1.00 0.00 C ATOM 472 CE LYS A 30 -14.380 1.114 4.660 1.00 0.00 C ATOM 473 NZ LYS A 30 -15.300 2.232 5.008 1.00 0.00 N ATOM 0 H LYS A 30 -14.281 -4.035 2.576 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.805 -1.518 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.859 -2.020 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.586 -0.443 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.516 -2.323 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.164 -1.232 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.905 -0.289 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.447 -0.376 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.512 1.142 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.013 1.252 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.747 3.039 5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.832 2.520 4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.964 1.919 5.744 1.00 0.00 H new ATOM 487 N PRO A 31 -15.158 -1.207 -0.147 1.00 0.00 N ATOM 488 CA PRO A 31 -14.816 -1.042 -1.558 1.00 0.00 C ATOM 489 C PRO A 31 -13.386 -0.564 -1.751 1.00 0.00 C ATOM 490 O PRO A 31 -12.855 0.189 -0.932 1.00 0.00 O ATOM 491 CB PRO A 31 -15.785 0.036 -2.050 1.00 0.00 C ATOM 492 CG PRO A 31 -16.908 0.018 -1.074 1.00 0.00 C ATOM 493 CD PRO A 31 -16.300 -0.367 0.245 1.00 0.00 C ATOM 0 HA PRO A 31 -14.893 -1.986 -2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.305 1.014 -2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.136 -0.179 -3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.388 0.995 -1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.675 -0.696 -1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -15.981 0.507 0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.006 -0.913 0.870 1.00 0.00 H new ATOM 501 N LYS A 32 -12.760 -1.021 -2.825 1.00 0.00 N ATOM 502 CA LYS A 32 -11.474 -0.497 -3.224 1.00 0.00 C ATOM 503 C LYS A 32 -11.682 0.745 -4.077 1.00 0.00 C ATOM 504 O LYS A 32 -12.192 0.663 -5.195 1.00 0.00 O ATOM 505 CB LYS A 32 -10.647 -1.523 -3.989 1.00 0.00 C ATOM 506 CG LYS A 32 -9.366 -0.935 -4.563 1.00 0.00 C ATOM 507 CD LYS A 32 -8.162 -1.150 -3.651 1.00 0.00 C ATOM 508 CE LYS A 32 -7.942 -2.615 -3.334 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.724 -3.083 -2.144 1.00 0.00 N ATOM 0 H LYS A 32 -13.126 -1.754 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.918 -0.245 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.396 -2.350 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.247 -1.936 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.167 -1.387 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.504 0.133 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.270 -0.745 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.307 -0.597 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.219 -3.214 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.881 -2.786 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.069 -3.387 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.317 -2.305 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.330 -3.882 -2.419 1.00 0.00 H new ATOM 523 N PRO A 33 -11.316 1.898 -3.510 1.00 0.00 N ATOM 524 CA PRO A 33 -11.385 3.219 -4.124 1.00 0.00 C ATOM 525 C PRO A 33 -11.355 3.280 -5.652 1.00 0.00 C ATOM 526 O PRO A 33 -10.604 2.557 -6.304 1.00 0.00 O ATOM 527 CB PRO A 33 -10.096 3.783 -3.585 1.00 0.00 C ATOM 528 CG PRO A 33 -10.038 3.310 -2.184 1.00 0.00 C ATOM 529 CD PRO A 33 -10.773 2.023 -2.145 1.00 0.00 C ATOM 0 HA PRO A 33 -12.326 3.721 -3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.239 3.430 -4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.088 4.872 -3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.005 3.177 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.491 4.037 -1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.114 1.191 -1.897 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.566 2.035 -1.397 1.00 0.00 H new ATOM 537 N SER A 34 -12.143 4.198 -6.205 1.00 0.00 N ATOM 538 CA SER A 34 -12.056 4.513 -7.623 1.00 0.00 C ATOM 539 C SER A 34 -10.851 5.417 -7.845 1.00 0.00 C ATOM 540 O SER A 34 -10.417 5.652 -8.972 1.00 0.00 O ATOM 541 CB SER A 34 -13.327 5.219 -8.104 1.00 0.00 C ATOM 542 OG SER A 34 -14.470 4.390 -7.960 1.00 0.00 O ATOM 0 H SER A 34 -12.845 4.733 -5.694 1.00 0.00 H new ATOM 0 HA SER A 34 -11.948 3.589 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.470 6.139 -7.537 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.212 5.504 -9.150 1.00 0.00 H new ATOM 0 HG SER A 34 -15.264 4.870 -8.274 1.00 0.00 H new ATOM 548 N THR A 35 -10.334 5.938 -6.742 1.00 0.00 N ATOM 549 CA THR A 35 -9.180 6.817 -6.761 1.00 0.00 C ATOM 550 C THR A 35 -8.428 6.734 -5.433 1.00 0.00 C ATOM 551 O THR A 35 -9.034 6.570 -4.373 1.00 0.00 O ATOM 552 CB THR A 35 -9.595 8.281 -7.014 1.00 0.00 C ATOM 553 OG1 THR A 35 -10.546 8.352 -8.085 1.00 0.00 O ATOM 554 CG2 THR A 35 -8.380 9.121 -7.367 1.00 0.00 C ATOM 0 H THR A 35 -10.705 5.761 -5.809 1.00 0.00 H new ATOM 0 HA THR A 35 -8.532 6.490 -7.574 1.00 0.00 H new ATOM 0 HB THR A 35 -10.049 8.669 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.802 9.286 -8.234 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.689 10.151 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.666 9.091 -6.544 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.912 8.724 -8.268 1.00 0.00 H new ATOM 562 N TRP A 36 -7.111 6.858 -5.498 1.00 0.00 N ATOM 563 CA TRP A 36 -6.257 6.768 -4.318 1.00 0.00 C ATOM 564 C TRP A 36 -6.441 7.969 -3.372 1.00 0.00 C ATOM 565 O TRP A 36 -6.021 7.925 -2.217 1.00 0.00 O ATOM 566 CB TRP A 36 -4.802 6.591 -4.772 1.00 0.00 C ATOM 567 CG TRP A 36 -3.744 6.832 -3.732 1.00 0.00 C ATOM 568 CD1 TRP A 36 -2.816 7.836 -3.728 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.497 6.050 -2.559 1.00 0.00 C ATOM 570 NE1 TRP A 36 -1.992 7.714 -2.637 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.396 6.629 -1.899 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.095 4.916 -2.001 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -1.886 6.108 -0.718 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.583 4.404 -0.827 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.488 5.000 -0.196 1.00 0.00 C ATOM 0 H TRP A 36 -6.603 7.023 -6.367 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.549 5.897 -3.731 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.683 5.576 -5.151 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.620 7.267 -5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.742 8.613 -4.475 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.209 8.328 -2.412 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.943 4.449 -2.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.039 6.565 -0.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.036 3.527 -0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.111 4.576 0.723 1.00 0.00 H new ATOM 586 N ASP A 37 -7.105 9.021 -3.842 1.00 0.00 N ATOM 587 CA ASP A 37 -7.352 10.208 -3.013 1.00 0.00 C ATOM 588 C ASP A 37 -8.266 9.880 -1.828 1.00 0.00 C ATOM 589 O ASP A 37 -7.916 10.113 -0.664 1.00 0.00 O ATOM 590 CB ASP A 37 -7.989 11.310 -3.868 1.00 0.00 C ATOM 591 CG ASP A 37 -8.219 12.600 -3.102 1.00 0.00 C ATOM 592 OD1 ASP A 37 -9.263 12.724 -2.432 1.00 0.00 O ATOM 593 OD2 ASP A 37 -7.358 13.504 -3.181 1.00 0.00 O ATOM 0 H ASP A 37 -7.482 9.081 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.396 10.552 -2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.347 11.513 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.941 10.953 -4.260 1.00 0.00 H new ATOM 598 N LEU A 38 -9.421 9.288 -2.124 1.00 0.00 N ATOM 599 CA LEU A 38 -10.353 8.874 -1.078 1.00 0.00 C ATOM 600 C LEU A 38 -9.750 7.736 -0.273 1.00 0.00 C ATOM 601 O LEU A 38 -9.977 7.607 0.939 1.00 0.00 O ATOM 602 CB LEU A 38 -11.697 8.438 -1.686 1.00 0.00 C ATOM 603 CG LEU A 38 -11.603 7.483 -2.884 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.387 6.203 -2.636 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.110 8.162 -4.142 1.00 0.00 C ATOM 0 H LEU A 38 -9.733 9.085 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.536 9.723 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.289 7.958 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.241 9.330 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.553 7.220 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.300 5.549 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.988 5.696 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.436 6.446 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.037 7.472 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.150 8.456 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.507 9.047 -4.346 1.00 0.00 H new ATOM 617 N ALA A 39 -8.934 6.946 -0.955 1.00 0.00 N ATOM 618 CA ALA A 39 -8.333 5.777 -0.362 1.00 0.00 C ATOM 619 C ALA A 39 -7.386 6.179 0.733 1.00 0.00 C ATOM 620 O ALA A 39 -7.510 5.729 1.859 1.00 0.00 O ATOM 621 CB ALA A 39 -7.584 4.991 -1.412 1.00 0.00 C ATOM 0 H ALA A 39 -8.676 7.102 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.123 5.155 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.134 4.110 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.275 4.680 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.802 5.615 -1.845 1.00 0.00 H new ATOM 627 N SER A 40 -6.478 7.073 0.400 1.00 0.00 N ATOM 628 CA SER A 40 -5.458 7.500 1.329 1.00 0.00 C ATOM 629 C SER A 40 -6.055 8.278 2.496 1.00 0.00 C ATOM 630 O SER A 40 -5.524 8.238 3.608 1.00 0.00 O ATOM 631 CB SER A 40 -4.413 8.338 0.605 1.00 0.00 C ATOM 632 OG SER A 40 -5.010 9.406 -0.112 1.00 0.00 O ATOM 0 H SER A 40 -6.428 7.520 -0.516 1.00 0.00 H new ATOM 0 HA SER A 40 -4.980 6.611 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.700 8.736 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.851 7.706 -0.082 1.00 0.00 H new ATOM 0 HG SER A 40 -5.365 9.071 -0.962 1.00 0.00 H new ATOM 638 N LYS A 41 -7.160 8.978 2.250 1.00 0.00 N ATOM 639 CA LYS A 41 -7.826 9.723 3.312 1.00 0.00 C ATOM 640 C LYS A 41 -8.303 8.785 4.418 1.00 0.00 C ATOM 641 O LYS A 41 -8.035 9.024 5.598 1.00 0.00 O ATOM 642 CB LYS A 41 -9.014 10.529 2.768 1.00 0.00 C ATOM 643 CG LYS A 41 -9.646 11.453 3.801 1.00 0.00 C ATOM 644 CD LYS A 41 -10.888 12.137 3.256 1.00 0.00 C ATOM 645 CE LYS A 41 -10.578 12.988 2.034 1.00 0.00 C ATOM 646 NZ LYS A 41 -9.907 14.268 2.391 1.00 0.00 N ATOM 0 H LYS A 41 -7.608 9.044 1.336 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.097 10.419 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.681 11.123 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.772 9.839 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.907 10.880 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.920 12.206 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.632 11.384 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.328 12.763 4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.940 12.424 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.503 13.202 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.716 14.813 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.525 14.821 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.010 14.066 2.878 1.00 0.00 H new ATOM 660 N GLU A 42 -9.005 7.719 4.042 1.00 0.00 N ATOM 661 CA GLU A 42 -9.513 6.770 5.027 1.00 0.00 C ATOM 662 C GLU A 42 -8.416 5.789 5.447 1.00 0.00 C ATOM 663 O GLU A 42 -8.397 5.311 6.582 1.00 0.00 O ATOM 664 CB GLU A 42 -10.734 6.023 4.477 1.00 0.00 C ATOM 665 CG GLU A 42 -11.309 4.990 5.440 1.00 0.00 C ATOM 666 CD GLU A 42 -12.645 4.426 4.989 1.00 0.00 C ATOM 667 OE1 GLU A 42 -12.841 4.228 3.774 1.00 0.00 O ATOM 668 OE2 GLU A 42 -13.516 4.183 5.856 1.00 0.00 O ATOM 0 H GLU A 42 -9.233 7.493 3.074 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.826 7.326 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.510 6.747 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.455 5.525 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.597 4.173 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.428 5.446 6.423 1.00 0.00 H new ATOM 675 N LEU A 43 -7.502 5.509 4.524 1.00 0.00 N ATOM 676 CA LEU A 43 -6.395 4.594 4.771 1.00 0.00 C ATOM 677 C LEU A 43 -5.504 5.106 5.898 1.00 0.00 C ATOM 678 O LEU A 43 -5.086 4.334 6.766 1.00 0.00 O ATOM 679 CB LEU A 43 -5.540 4.436 3.507 1.00 0.00 C ATOM 680 CG LEU A 43 -5.004 3.027 3.239 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.414 2.420 4.499 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.103 2.144 2.684 1.00 0.00 C ATOM 0 H LEU A 43 -7.508 5.909 3.586 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.822 3.632 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.134 4.748 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.694 5.120 3.575 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.208 3.099 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.041 1.419 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.594 3.044 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.183 2.360 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.708 1.145 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.919 2.083 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.473 2.567 1.750 1.00 0.00 H new ATOM 694 N GLY A 44 -5.216 6.407 5.872 1.00 0.00 N ATOM 695 CA GLY A 44 -4.242 6.970 6.789 1.00 0.00 C ATOM 696 C GLY A 44 -4.636 6.815 8.246 1.00 0.00 C ATOM 697 O GLY A 44 -5.350 7.647 8.806 1.00 0.00 O ATOM 0 H GLY A 44 -5.640 7.079 5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.278 6.488 6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.111 8.029 6.565 1.00 0.00 H new ATOM 701 N GLU A 45 -4.129 5.742 8.842 1.00 0.00 N ATOM 702 CA GLU A 45 -4.435 5.326 10.189 1.00 0.00 C ATOM 703 C GLU A 45 -3.814 3.958 10.387 1.00 0.00 C ATOM 704 O GLU A 45 -3.273 3.638 11.443 1.00 0.00 O ATOM 705 CB GLU A 45 -5.948 5.271 10.455 1.00 0.00 C ATOM 706 CG GLU A 45 -6.315 4.921 11.893 1.00 0.00 C ATOM 707 CD GLU A 45 -5.873 5.971 12.896 1.00 0.00 C ATOM 708 OE1 GLU A 45 -4.685 5.986 13.276 1.00 0.00 O ATOM 709 OE2 GLU A 45 -6.720 6.784 13.322 1.00 0.00 O ATOM 0 H GLU A 45 -3.469 5.120 8.375 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.030 6.053 10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.385 6.238 10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.397 4.535 9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.395 4.792 11.964 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.862 3.965 12.154 1.00 0.00 H new ATOM 716 N SER A 46 -3.872 3.157 9.334 1.00 0.00 N ATOM 717 CA SER A 46 -3.155 1.905 9.301 1.00 0.00 C ATOM 718 C SER A 46 -1.723 2.185 8.876 1.00 0.00 C ATOM 719 O SER A 46 -1.478 2.671 7.773 1.00 0.00 O ATOM 720 CB SER A 46 -3.844 0.938 8.343 1.00 0.00 C ATOM 721 OG SER A 46 -5.106 0.521 8.847 1.00 0.00 O ATOM 0 H SER A 46 -4.411 3.358 8.492 1.00 0.00 H new ATOM 0 HA SER A 46 -3.148 1.439 10.287 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.978 1.417 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.208 0.067 8.183 1.00 0.00 H new ATOM 0 HG SER A 46 -5.524 -0.096 8.211 1.00 0.00 H new ATOM 727 N LEU A 47 -0.780 1.890 9.757 1.00 0.00 N ATOM 728 CA LEU A 47 0.562 2.419 9.637 1.00 0.00 C ATOM 729 C LEU A 47 1.354 1.832 8.480 1.00 0.00 C ATOM 730 O LEU A 47 2.444 2.320 8.192 1.00 0.00 O ATOM 731 CB LEU A 47 1.362 2.289 10.957 1.00 0.00 C ATOM 732 CG LEU A 47 1.015 1.133 11.916 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.366 1.304 12.549 1.00 0.00 C ATOM 734 CD2 LEU A 47 1.123 -0.200 11.200 1.00 0.00 C ATOM 0 H LEU A 47 -0.924 1.284 10.565 1.00 0.00 H new ATOM 0 HA LEU A 47 0.422 3.477 9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.417 2.200 10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.247 3.223 11.508 1.00 0.00 H new ATOM 0 HG LEU A 47 1.741 1.153 12.729 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.567 0.466 13.217 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.394 2.234 13.116 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.124 1.334 11.766 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.875 -1.005 11.891 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.431 -0.218 10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.141 -0.336 10.835 1.00 0.00 H new ATOM 746 N GLU A 48 0.824 0.843 7.761 1.00 0.00 N ATOM 747 CA GLU A 48 1.592 0.346 6.638 1.00 0.00 C ATOM 748 C GLU A 48 1.432 1.306 5.483 1.00 0.00 C ATOM 749 O GLU A 48 2.289 1.388 4.613 1.00 0.00 O ATOM 750 CB GLU A 48 1.128 -1.043 6.193 1.00 0.00 C ATOM 751 CG GLU A 48 2.274 -1.964 5.844 1.00 0.00 C ATOM 752 CD GLU A 48 3.089 -2.368 7.055 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.887 -1.541 7.547 1.00 0.00 O ATOM 754 OE2 GLU A 48 2.936 -3.512 7.519 1.00 0.00 O ATOM 0 H GLU A 48 -0.079 0.397 7.926 1.00 0.00 H new ATOM 0 HA GLU A 48 2.634 0.267 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.536 -1.494 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.474 -0.941 5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.881 -2.859 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.924 -1.471 5.122 1.00 0.00 H new ATOM 761 N TYR A 49 0.421 2.160 5.558 1.00 0.00 N ATOM 762 CA TYR A 49 0.294 3.200 4.563 1.00 0.00 C ATOM 763 C TYR A 49 1.203 4.351 4.946 1.00 0.00 C ATOM 764 O TYR A 49 1.632 5.150 4.110 1.00 0.00 O ATOM 765 CB TYR A 49 -1.159 3.684 4.527 1.00 0.00 C ATOM 766 CG TYR A 49 -1.319 5.161 4.231 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.203 5.654 2.937 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.558 6.070 5.259 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.332 7.007 2.682 1.00 0.00 C ATOM 770 CE2 TYR A 49 -1.679 7.419 5.011 1.00 0.00 C ATOM 771 CZ TYR A 49 -1.566 7.885 3.719 1.00 0.00 C ATOM 772 OH TYR A 49 -1.678 9.231 3.456 1.00 0.00 O ATOM 0 H TYR A 49 -0.301 2.151 6.278 1.00 0.00 H new ATOM 0 HA TYR A 49 0.573 2.819 3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.701 3.114 3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.626 3.466 5.487 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.010 4.973 2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.650 5.709 6.273 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.249 7.376 1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.861 8.107 5.823 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.843 9.715 4.292 1.00 0.00 H new ATOM 782 N LYS A 50 1.555 4.361 6.215 1.00 0.00 N ATOM 783 CA LYS A 50 2.415 5.368 6.761 1.00 0.00 C ATOM 784 C LYS A 50 3.868 4.914 6.658 1.00 0.00 C ATOM 785 O LYS A 50 4.803 5.686 6.882 1.00 0.00 O ATOM 786 CB LYS A 50 1.956 5.604 8.194 1.00 0.00 C ATOM 787 CG LYS A 50 2.563 6.817 8.872 1.00 0.00 C ATOM 788 CD LYS A 50 2.124 6.933 10.325 1.00 0.00 C ATOM 789 CE LYS A 50 0.637 6.694 10.465 1.00 0.00 C ATOM 790 NZ LYS A 50 0.088 7.290 11.714 1.00 0.00 N ATOM 0 H LYS A 50 1.247 3.664 6.893 1.00 0.00 H new ATOM 0 HA LYS A 50 2.359 6.309 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.871 5.709 8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.193 4.720 8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.650 6.753 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.273 7.718 8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.670 6.211 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.374 7.923 10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.120 7.118 9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.441 5.622 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.933 7.102 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.562 6.868 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.251 8.317 11.709 1.00 0.00 H new ATOM 804 N ALA A 51 4.046 3.646 6.291 1.00 0.00 N ATOM 805 CA ALA A 51 5.378 3.058 6.177 1.00 0.00 C ATOM 806 C ALA A 51 5.925 3.307 4.792 1.00 0.00 C ATOM 807 O ALA A 51 7.075 2.998 4.482 1.00 0.00 O ATOM 808 CB ALA A 51 5.333 1.568 6.466 1.00 0.00 C ATOM 0 H ALA A 51 3.284 3.006 6.068 1.00 0.00 H new ATOM 0 HA ALA A 51 6.034 3.526 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.335 1.149 6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.961 1.405 7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.670 1.079 5.752 1.00 0.00 H new ATOM 814 N LEU A 52 5.076 3.886 3.975 1.00 0.00 N ATOM 815 CA LEU A 52 5.255 3.893 2.546 1.00 0.00 C ATOM 816 C LEU A 52 5.076 5.315 2.022 1.00 0.00 C ATOM 817 O LEU A 52 4.772 5.541 0.850 1.00 0.00 O ATOM 818 CB LEU A 52 4.230 2.909 1.958 1.00 0.00 C ATOM 819 CG LEU A 52 4.414 2.519 0.500 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.831 2.044 0.258 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.437 1.418 0.122 1.00 0.00 C ATOM 0 H LEU A 52 4.234 4.369 4.289 1.00 0.00 H new ATOM 0 HA LEU A 52 6.256 3.577 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.249 1.999 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.237 3.345 2.071 1.00 0.00 H new ATOM 0 HG LEU A 52 4.221 3.396 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.948 1.768 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.530 2.844 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.037 1.178 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.580 1.148 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.613 0.544 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.416 1.771 0.270 1.00 0.00 H new ATOM 833 N GLY A 53 5.309 6.272 2.916 1.00 0.00 N ATOM 834 CA GLY A 53 5.067 7.669 2.618 1.00 0.00 C ATOM 835 C GLY A 53 5.998 8.245 1.570 1.00 0.00 C ATOM 836 O GLY A 53 5.571 9.039 0.728 1.00 0.00 O ATOM 0 H GLY A 53 5.667 6.098 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.038 7.785 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.167 8.248 3.536 1.00 0.00 H new ATOM 840 N ASP A 54 7.261 7.840 1.606 1.00 0.00 N ATOM 841 CA ASP A 54 8.264 8.419 0.723 1.00 0.00 C ATOM 842 C ASP A 54 8.058 7.885 -0.672 1.00 0.00 C ATOM 843 O ASP A 54 8.072 8.621 -1.656 1.00 0.00 O ATOM 844 CB ASP A 54 9.673 8.081 1.212 1.00 0.00 C ATOM 845 CG ASP A 54 10.761 8.676 0.338 1.00 0.00 C ATOM 846 OD1 ASP A 54 10.843 9.921 0.249 1.00 0.00 O ATOM 847 OD2 ASP A 54 11.546 7.905 -0.249 1.00 0.00 O ATOM 0 H ASP A 54 7.613 7.117 2.233 1.00 0.00 H new ATOM 0 HA ASP A 54 8.157 9.504 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.795 8.444 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.791 6.998 1.243 1.00 0.00 H new ATOM 852 N GLU A 55 7.797 6.595 -0.728 1.00 0.00 N ATOM 853 CA GLU A 55 7.494 5.920 -1.978 1.00 0.00 C ATOM 854 C GLU A 55 6.009 6.039 -2.270 1.00 0.00 C ATOM 855 O GLU A 55 5.307 5.054 -2.503 1.00 0.00 O ATOM 856 CB GLU A 55 7.964 4.463 -1.926 1.00 0.00 C ATOM 857 CG GLU A 55 9.459 4.314 -2.192 1.00 0.00 C ATOM 858 CD GLU A 55 9.825 4.591 -3.645 1.00 0.00 C ATOM 859 OE1 GLU A 55 9.289 5.559 -4.229 1.00 0.00 O ATOM 860 OE2 GLU A 55 10.663 3.850 -4.208 1.00 0.00 O ATOM 0 H GLU A 55 7.788 5.984 0.089 1.00 0.00 H new ATOM 0 HA GLU A 55 8.034 6.396 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.731 4.045 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.409 3.881 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.009 4.998 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.773 3.304 -1.928 1.00 0.00 H new ATOM 867 N ASP A 56 5.557 7.287 -2.268 1.00 0.00 N ATOM 868 CA ASP A 56 4.164 7.639 -2.499 1.00 0.00 C ATOM 869 C ASP A 56 3.672 7.084 -3.817 1.00 0.00 C ATOM 870 O ASP A 56 2.612 6.468 -3.877 1.00 0.00 O ATOM 871 CB ASP A 56 4.005 9.159 -2.505 1.00 0.00 C ATOM 872 CG ASP A 56 2.617 9.613 -2.919 1.00 0.00 C ATOM 873 OD1 ASP A 56 2.397 9.816 -4.132 1.00 0.00 O ATOM 874 OD2 ASP A 56 1.753 9.788 -2.037 1.00 0.00 O ATOM 0 H ASP A 56 6.158 8.094 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 56 3.571 7.206 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.225 9.545 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.740 9.592 -3.184 1.00 0.00 H new ATOM 879 N ASN A 57 4.478 7.248 -4.861 1.00 0.00 N ATOM 880 CA ASN A 57 4.054 6.895 -6.205 1.00 0.00 C ATOM 881 C ASN A 57 3.986 5.393 -6.342 1.00 0.00 C ATOM 882 O ASN A 57 3.185 4.869 -7.108 1.00 0.00 O ATOM 883 CB ASN A 57 4.995 7.510 -7.254 1.00 0.00 C ATOM 884 CG ASN A 57 6.403 7.722 -6.728 1.00 0.00 C ATOM 885 OD1 ASN A 57 7.063 8.701 -7.062 1.00 0.00 O ATOM 886 ND2 ASN A 57 6.884 6.786 -5.928 1.00 0.00 N ATOM 0 H ASN A 57 5.425 7.622 -4.800 1.00 0.00 H new ATOM 0 HA ASN A 57 3.059 7.303 -6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.032 6.859 -8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.588 8.465 -7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.834 6.863 -5.566 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.305 5.986 -5.673 1.00 0.00 H new ATOM 893 N ILE A 58 4.796 4.695 -5.560 1.00 0.00 N ATOM 894 CA ILE A 58 4.729 3.255 -5.520 1.00 0.00 C ATOM 895 C ILE A 58 3.455 2.852 -4.803 1.00 0.00 C ATOM 896 O ILE A 58 2.618 2.140 -5.344 1.00 0.00 O ATOM 897 CB ILE A 58 5.961 2.650 -4.801 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.141 2.522 -5.760 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.635 1.293 -4.195 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.603 3.827 -6.360 1.00 0.00 C ATOM 0 H ILE A 58 5.502 5.107 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 58 4.727 2.871 -6.540 1.00 0.00 H new ATOM 0 HB ILE A 58 6.235 3.330 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.976 2.065 -5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.865 1.843 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.519 0.895 -3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.829 1.403 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.323 0.608 -4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.444 3.643 -7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.785 4.279 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.914 4.504 -5.564 1.00 0.00 H new ATOM 912 N ARG A 59 3.300 3.411 -3.613 1.00 0.00 N ATOM 913 CA ARG A 59 2.152 3.175 -2.757 1.00 0.00 C ATOM 914 C ARG A 59 0.819 3.365 -3.503 1.00 0.00 C ATOM 915 O ARG A 59 -0.036 2.474 -3.476 1.00 0.00 O ATOM 916 CB ARG A 59 2.292 4.091 -1.542 1.00 0.00 C ATOM 917 CG ARG A 59 1.009 4.451 -0.844 1.00 0.00 C ATOM 918 CD ARG A 59 1.305 5.092 0.474 1.00 0.00 C ATOM 919 NE ARG A 59 2.194 6.230 0.314 1.00 0.00 N ATOM 920 CZ ARG A 59 1.792 7.489 0.313 1.00 0.00 C ATOM 921 NH1 ARG A 59 0.504 7.773 0.374 1.00 0.00 N ATOM 922 NH2 ARG A 59 2.670 8.466 0.216 1.00 0.00 N ATOM 0 H ARG A 59 3.982 4.053 -3.209 1.00 0.00 H new ATOM 0 HA ARG A 59 2.132 2.136 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.953 3.609 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.782 5.012 -1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.426 5.131 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.404 3.557 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.375 5.416 0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.761 4.362 1.143 1.00 0.00 H new ATOM 0 HE ARG A 59 3.190 6.046 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.183 7.020 0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.196 8.745 0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.665 8.252 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.355 9.436 0.216 1.00 0.00 H new ATOM 936 N ARG A 60 0.653 4.494 -4.201 1.00 0.00 N ATOM 937 CA ARG A 60 -0.562 4.716 -4.990 1.00 0.00 C ATOM 938 C ARG A 60 -0.695 3.703 -6.130 1.00 0.00 C ATOM 939 O ARG A 60 -1.777 3.166 -6.360 1.00 0.00 O ATOM 940 CB ARG A 60 -0.630 6.141 -5.558 1.00 0.00 C ATOM 941 CG ARG A 60 0.703 6.697 -6.016 1.00 0.00 C ATOM 942 CD ARG A 60 0.547 7.715 -7.118 1.00 0.00 C ATOM 943 NE ARG A 60 -0.188 8.884 -6.670 1.00 0.00 N ATOM 944 CZ ARG A 60 0.229 10.119 -6.850 1.00 0.00 C ATOM 945 NH1 ARG A 60 1.327 10.368 -7.551 1.00 0.00 N ATOM 946 NH2 ARG A 60 -0.464 11.108 -6.340 1.00 0.00 N ATOM 0 H ARG A 60 1.331 5.255 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.396 4.579 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.322 6.151 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.044 6.803 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.214 7.156 -5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.335 5.880 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.531 8.019 -7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.028 7.261 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.076 8.740 -6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.858 9.598 -7.957 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.640 11.330 -7.684 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.315 10.915 -5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.152 12.070 -6.472 1.00 0.00 H new ATOM 960 N GLN A 61 0.403 3.433 -6.837 1.00 0.00 N ATOM 961 CA GLN A 61 0.356 2.541 -7.993 1.00 0.00 C ATOM 962 C GLN A 61 -0.041 1.116 -7.621 1.00 0.00 C ATOM 963 O GLN A 61 -0.927 0.541 -8.258 1.00 0.00 O ATOM 964 CB GLN A 61 1.688 2.532 -8.747 1.00 0.00 C ATOM 965 CG GLN A 61 1.896 3.784 -9.584 1.00 0.00 C ATOM 966 CD GLN A 61 0.631 4.191 -10.312 1.00 0.00 C ATOM 967 OE1 GLN A 61 0.400 5.373 -10.567 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.197 3.213 -10.653 1.00 0.00 N ATOM 0 H GLN A 61 1.326 3.815 -6.632 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.419 2.939 -8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.505 2.438 -8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.729 1.656 -9.394 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.224 4.601 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.692 3.609 -10.308 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.033 2.246 -10.422 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.064 3.427 -11.146 1.00 0.00 H new ATOM 977 N ILE A 62 0.602 0.532 -6.604 1.00 0.00 N ATOM 978 CA ILE A 62 0.253 -0.829 -6.199 1.00 0.00 C ATOM 979 C ILE A 62 -1.201 -0.878 -5.761 1.00 0.00 C ATOM 980 O ILE A 62 -1.946 -1.758 -6.187 1.00 0.00 O ATOM 981 CB ILE A 62 1.105 -1.399 -5.040 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.386 -0.624 -4.823 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.452 -2.847 -5.331 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.855 -0.659 -3.385 1.00 0.00 C ATOM 0 H ILE A 62 1.347 0.968 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 62 0.447 -1.442 -7.079 1.00 0.00 H new ATOM 0 HB ILE A 62 0.508 -1.315 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.166 -1.033 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.234 0.412 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.052 -3.248 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.535 -3.429 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.018 -2.906 -6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.778 -0.087 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.090 -0.224 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.036 -1.692 -3.086 1.00 0.00 H new ATOM 996 N PHE A 63 -1.603 0.084 -4.920 1.00 0.00 N ATOM 997 CA PHE A 63 -2.978 0.143 -4.423 1.00 0.00 C ATOM 998 C PHE A 63 -3.977 0.029 -5.564 1.00 0.00 C ATOM 999 O PHE A 63 -4.927 -0.761 -5.509 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.230 1.427 -3.634 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.651 1.926 -3.731 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.667 1.292 -3.030 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -4.974 3.007 -4.542 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -6.973 1.725 -3.131 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.279 3.434 -4.649 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.274 2.790 -3.941 1.00 0.00 C ATOM 0 H PHE A 63 -0.997 0.827 -4.573 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.116 -0.705 -3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.985 1.254 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.556 2.204 -3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.432 0.449 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.196 3.516 -5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.754 1.228 -2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.524 4.271 -5.286 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.297 3.127 -4.026 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.746 0.815 -6.597 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.626 0.850 -7.747 1.00 0.00 C ATOM 1018 C GLU A 64 -4.651 -0.507 -8.450 1.00 0.00 C ATOM 1019 O GLU A 64 -5.698 -0.962 -8.910 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.170 1.940 -8.716 1.00 0.00 C ATOM 1021 CG GLU A 64 -5.170 2.224 -9.819 1.00 0.00 C ATOM 1022 CD GLU A 64 -6.501 2.706 -9.279 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -6.600 3.893 -8.911 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -7.454 1.897 -9.243 1.00 0.00 O ATOM 0 H GLU A 64 -2.946 1.445 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.636 1.076 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.986 2.858 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.221 1.644 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.760 2.976 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.325 1.320 -10.407 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.493 -1.152 -8.515 1.00 0.00 N ATOM 1032 CA ASP A 65 -3.348 -2.427 -9.213 1.00 0.00 C ATOM 1033 C ASP A 65 -3.812 -3.613 -8.356 1.00 0.00 C ATOM 1034 O ASP A 65 -3.948 -4.729 -8.862 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.882 -2.613 -9.640 1.00 0.00 C ATOM 1036 CG ASP A 65 -1.613 -3.944 -10.325 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -2.028 -4.119 -11.491 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -0.971 -4.819 -9.700 1.00 0.00 O ATOM 0 H ASP A 65 -2.632 -0.810 -8.089 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.989 -2.403 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.603 -1.804 -10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.243 -2.530 -8.761 1.00 0.00 H new ATOM 1043 N PHE A 66 -4.080 -3.375 -7.071 1.00 0.00 N ATOM 1044 CA PHE A 66 -4.388 -4.457 -6.147 1.00 0.00 C ATOM 1045 C PHE A 66 -5.605 -5.257 -6.577 1.00 0.00 C ATOM 1046 O PHE A 66 -5.524 -6.467 -6.774 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.666 -3.877 -4.767 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.461 -3.482 -3.966 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -2.201 -3.973 -4.259 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.611 -2.632 -2.887 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -1.114 -3.610 -3.487 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.534 -2.269 -2.112 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.279 -2.757 -2.413 1.00 0.00 C ATOM 0 H PHE A 66 -4.089 -2.445 -6.652 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.526 -5.124 -6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.303 -3.000 -4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.234 -4.610 -4.194 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.066 -4.643 -5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.591 -2.246 -2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.133 -3.994 -3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.670 -1.605 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.429 -2.473 -1.811 1.00 0.00 H new ATOM 1063 N LYS A 67 -6.704 -4.544 -6.744 1.00 0.00 N ATOM 1064 CA LYS A 67 -7.973 -5.101 -7.218 1.00 0.00 C ATOM 1065 C LYS A 67 -8.567 -6.141 -6.255 1.00 0.00 C ATOM 1066 O LYS A 67 -7.988 -7.197 -6.015 1.00 0.00 O ATOM 1067 CB LYS A 67 -7.814 -5.668 -8.630 1.00 0.00 C ATOM 1068 CG LYS A 67 -7.309 -4.638 -9.636 1.00 0.00 C ATOM 1069 CD LYS A 67 -7.833 -3.248 -9.310 1.00 0.00 C ATOM 1070 CE LYS A 67 -7.917 -2.355 -10.538 1.00 0.00 C ATOM 1071 NZ LYS A 67 -8.361 -0.975 -10.186 1.00 0.00 N ATOM 0 H LYS A 67 -6.748 -3.543 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.691 -4.281 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.121 -6.509 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.774 -6.057 -8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.219 -4.628 -9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.624 -4.922 -10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.821 -3.332 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.182 -2.782 -8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.942 -2.311 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.612 -2.789 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.554 -0.440 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.226 -1.025 -9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.613 -0.497 -9.644 1.00 0.00 H new ATOM 1085 N PRO A 68 -9.738 -5.810 -5.670 1.00 0.00 N ATOM 1086 CA PRO A 68 -10.470 -6.674 -4.720 1.00 0.00 C ATOM 1087 C PRO A 68 -10.858 -8.053 -5.226 1.00 0.00 C ATOM 1088 O PRO A 68 -10.313 -8.589 -6.192 1.00 0.00 O ATOM 1089 CB PRO A 68 -11.775 -5.918 -4.454 1.00 0.00 C ATOM 1090 CG PRO A 68 -11.826 -4.828 -5.471 1.00 0.00 C ATOM 1091 CD PRO A 68 -10.423 -4.523 -5.836 1.00 0.00 C ATOM 0 HA PRO A 68 -9.818 -6.856 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.636 -6.580 -4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.792 -5.511 -3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.395 -5.141 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.322 -3.945 -5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.345 -4.156 -6.859 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.998 -3.756 -5.189 1.00 0.00 H new ATOM 1099 N GLU A 69 -11.870 -8.574 -4.543 1.00 0.00 N ATOM 1100 CA GLU A 69 -12.380 -9.922 -4.754 1.00 0.00 C ATOM 1101 C GLU A 69 -11.264 -10.950 -4.603 1.00 0.00 C ATOM 1102 O GLU A 69 -10.615 -10.958 -3.536 1.00 0.00 O ATOM 1103 CB GLU A 69 -13.066 -10.055 -6.118 1.00 0.00 C ATOM 1104 CG GLU A 69 -14.324 -9.211 -6.252 1.00 0.00 C ATOM 1105 CD GLU A 69 -15.063 -9.466 -7.550 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -15.687 -10.541 -7.682 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -15.041 -8.589 -8.436 1.00 0.00 O ATOM 1108 OXT GLU A 69 -11.067 -11.770 -5.525 1.00 0.00 O ATOM 0 H GLU A 69 -12.368 -8.062 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.131 -10.117 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.362 -9.769 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.321 -11.101 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.988 -9.420 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.057 -8.156 -6.192 1.00 0.00 H new TER 1115 GLU A 69