USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 98 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.59) USER MOD Set 2.1: A 59 GLN : amide:sc= -0.234 X(o=-0.89,f=-0.54) USER MOD Set 2.2: A 70 HIS : no HD1:sc= -0.66 X(o=-0.89,f=-0.54) USER MOD Set 3.1: A 1 MET N :NH3+ -157:sc= 0 (180deg=-0.325) USER MOD Set 3.2: A 58 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.305 USER MOD Single : A 7 HIS : no HD1:sc= -1.84 K(o=-1.8,f=0.11) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 16 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 28 SER OG : rot -82:sc= 1.19 USER MOD Single : A 32 CYS SG : rot 180:sc= -0.966 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 147:sc= 0.985 USER MOD Single : A 42 THR OG1 : rot -23:sc= 1.28 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.803 K(o=-0.8,f=-2.5!) USER MOD Single : A 54 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.088) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.725! C(o=-0.73!,f=-4.9!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 141:sc= -0.179 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -38:sc= 0.999 USER MOD Single : A 93 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.034) USER MOD Single : A 96 THR OG1 : rot -76:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.790 -15.718 -12.789 1.00 1.00 N ATOM 2 CA MET A 1 2.623 -17.125 -13.216 1.00 1.00 C ATOM 3 C MET A 1 3.320 -18.079 -12.306 1.00 1.00 C ATOM 4 O MET A 1 2.785 -19.135 -11.977 1.00 1.00 O ATOM 5 CB MET A 1 3.079 -17.307 -14.674 1.00 1.00 C ATOM 6 CG MET A 1 2.284 -16.478 -15.686 1.00 1.00 C ATOM 7 SD MET A 1 0.495 -16.797 -15.675 1.00 1.00 S ATOM 8 CE MET A 1 0.123 -15.615 -17.003 1.00 1.00 C ATOM 0 H1 MET A 1 2.015 -15.143 -13.177 1.00 1.00 H new ATOM 0 H2 MET A 1 2.773 -15.666 -11.750 1.00 1.00 H new ATOM 0 H3 MET A 1 3.699 -15.355 -13.139 1.00 1.00 H new ATOM 0 HA MET A 1 1.560 -17.359 -13.157 1.00 1.00 H new ATOM 0 HB2 MET A 1 4.133 -17.040 -14.750 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.998 -18.361 -14.940 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.454 -15.420 -15.484 1.00 1.00 H new ATOM 0 HG3 MET A 1 2.671 -16.678 -16.685 1.00 1.00 H new ATOM 0 HE1 MET A 1 -0.949 -15.615 -17.200 1.00 1.00 H new ATOM 0 HE2 MET A 1 0.436 -14.616 -16.699 1.00 1.00 H new ATOM 0 HE3 MET A 1 0.658 -15.904 -17.908 1.00 1.00 H new ATOM 17 N ASN A 2 4.530 -17.740 -11.829 1.00 1.00 N ATOM 18 CA ASN A 2 5.269 -18.506 -10.874 1.00 1.00 C ATOM 19 C ASN A 2 5.879 -17.586 -9.873 1.00 1.00 C ATOM 20 O ASN A 2 5.740 -16.368 -9.973 1.00 1.00 O ATOM 21 CB ASN A 2 6.353 -19.339 -11.581 1.00 1.00 C ATOM 22 CG ASN A 2 5.713 -20.539 -12.264 1.00 1.00 C ATOM 23 OD1 ASN A 2 5.607 -20.645 -13.485 1.00 1.00 O ATOM 24 ND2 ASN A 2 5.270 -21.511 -11.421 1.00 1.00 N ATOM 0 H ASN A 2 5.016 -16.893 -12.123 1.00 1.00 H new ATOM 0 HA ASN A 2 4.597 -19.195 -10.361 1.00 1.00 H new ATOM 0 HB2 ASN A 2 6.875 -18.726 -12.316 1.00 1.00 H new ATOM 0 HB3 ASN A 2 7.097 -19.674 -10.858 1.00 1.00 H new ATOM 0 HD21 ASN A 2 4.837 -22.354 -11.798 1.00 1.00 H new ATOM 0 HD22 ASN A 2 5.371 -21.396 -10.413 1.00 1.00 H new ATOM 31 N ASP A 3 6.618 -18.138 -8.895 1.00 1.00 N ATOM 32 CA ASP A 3 7.319 -17.480 -7.837 1.00 1.00 C ATOM 33 C ASP A 3 8.298 -16.479 -8.344 1.00 1.00 C ATOM 34 O ASP A 3 8.266 -15.308 -7.970 1.00 1.00 O ATOM 35 CB ASP A 3 7.990 -18.588 -7.006 1.00 1.00 C ATOM 36 CG ASP A 3 8.665 -18.111 -5.728 1.00 1.00 C ATOM 37 OD1 ASP A 3 7.966 -17.868 -4.709 1.00 1.00 O ATOM 38 OD2 ASP A 3 9.921 -18.013 -5.716 1.00 1.00 O ATOM 0 H ASP A 3 6.735 -19.150 -8.842 1.00 1.00 H new ATOM 0 HA ASP A 3 6.631 -16.901 -7.221 1.00 1.00 H new ATOM 0 HB2 ASP A 3 7.238 -19.333 -6.746 1.00 1.00 H new ATOM 0 HB3 ASP A 3 8.733 -19.088 -7.627 1.00 1.00 H new ATOM 43 N SER A 4 9.154 -16.889 -9.298 1.00 1.00 N ATOM 44 CA SER A 4 10.048 -16.098 -10.084 1.00 1.00 C ATOM 45 C SER A 4 9.442 -14.850 -10.627 1.00 1.00 C ATOM 46 O SER A 4 9.962 -13.745 -10.476 1.00 1.00 O ATOM 47 CB SER A 4 10.538 -16.975 -11.249 1.00 1.00 C ATOM 48 OG SER A 4 11.465 -16.356 -12.129 1.00 1.00 O ATOM 0 H SER A 4 9.224 -17.877 -9.541 1.00 1.00 H new ATOM 0 HA SER A 4 10.860 -15.773 -9.434 1.00 1.00 H new ATOM 0 HB2 SER A 4 10.998 -17.873 -10.837 1.00 1.00 H new ATOM 0 HB3 SER A 4 9.673 -17.297 -11.828 1.00 1.00 H new ATOM 0 HG SER A 4 11.719 -16.988 -12.833 1.00 1.00 H new ATOM 54 N GLU A 5 8.267 -14.995 -11.265 1.00 1.00 N ATOM 55 CA GLU A 5 7.543 -13.946 -11.913 1.00 1.00 C ATOM 56 C GLU A 5 6.875 -13.021 -10.955 1.00 1.00 C ATOM 57 O GLU A 5 7.094 -11.812 -11.012 1.00 1.00 O ATOM 58 CB GLU A 5 6.562 -14.531 -12.944 1.00 1.00 C ATOM 59 CG GLU A 5 6.063 -13.492 -13.948 1.00 1.00 C ATOM 60 CD GLU A 5 5.594 -14.131 -15.248 1.00 1.00 C ATOM 61 OE1 GLU A 5 6.362 -14.956 -15.814 1.00 1.00 O ATOM 62 OE2 GLU A 5 4.506 -13.755 -15.759 1.00 1.00 O ATOM 0 H GLU A 5 7.796 -15.897 -11.332 1.00 1.00 H new ATOM 0 HA GLU A 5 8.267 -13.330 -12.446 1.00 1.00 H new ATOM 0 HB2 GLU A 5 7.050 -15.343 -13.482 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.708 -14.963 -12.421 1.00 1.00 H new ATOM 0 HG2 GLU A 5 5.243 -12.926 -13.506 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.862 -12.782 -14.161 1.00 1.00 H new ATOM 69 N PHE A 6 6.092 -13.527 -9.985 1.00 1.00 N ATOM 70 CA PHE A 6 5.548 -12.778 -8.894 1.00 1.00 C ATOM 71 C PHE A 6 6.518 -11.939 -8.138 1.00 1.00 C ATOM 72 O PHE A 6 6.234 -10.778 -7.846 1.00 1.00 O ATOM 73 CB PHE A 6 4.836 -13.777 -7.964 1.00 1.00 C ATOM 74 CG PHE A 6 3.934 -13.132 -6.969 1.00 1.00 C ATOM 75 CD1 PHE A 6 3.004 -12.199 -7.359 1.00 1.00 C ATOM 76 CD2 PHE A 6 3.990 -13.515 -5.650 1.00 1.00 C ATOM 77 CE1 PHE A 6 2.132 -11.657 -6.444 1.00 1.00 C ATOM 78 CE2 PHE A 6 3.102 -12.996 -4.736 1.00 1.00 C ATOM 79 CZ PHE A 6 2.169 -12.068 -5.133 1.00 1.00 C ATOM 0 H PHE A 6 5.824 -14.511 -9.961 1.00 1.00 H new ATOM 0 HA PHE A 6 4.861 -12.044 -9.315 1.00 1.00 H new ATOM 0 HB2 PHE A 6 4.256 -14.473 -8.570 1.00 1.00 H new ATOM 0 HB3 PHE A 6 5.586 -14.364 -7.434 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.957 -11.889 -8.392 1.00 1.00 H new ATOM 0 HD2 PHE A 6 4.735 -14.228 -5.329 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.418 -10.909 -6.756 1.00 1.00 H new ATOM 0 HE2 PHE A 6 3.138 -13.318 -3.706 1.00 1.00 H new ATOM 0 HZ PHE A 6 1.468 -11.664 -4.418 1.00 1.00 H new ATOM 89 N HIS A 7 7.720 -12.453 -7.819 1.00 1.00 N ATOM 90 CA HIS A 7 8.755 -11.701 -7.179 1.00 1.00 C ATOM 91 C HIS A 7 9.380 -10.651 -8.033 1.00 1.00 C ATOM 92 O HIS A 7 9.731 -9.579 -7.545 1.00 1.00 O ATOM 93 CB HIS A 7 9.850 -12.623 -6.620 1.00 1.00 C ATOM 94 CG HIS A 7 9.286 -13.475 -5.522 1.00 1.00 C ATOM 95 ND1 HIS A 7 9.688 -14.766 -5.297 1.00 1.00 N ATOM 96 CD2 HIS A 7 8.297 -13.207 -4.628 1.00 1.00 C ATOM 97 CE1 HIS A 7 8.951 -15.270 -4.324 1.00 1.00 C ATOM 98 NE2 HIS A 7 8.109 -14.349 -3.895 1.00 1.00 N ATOM 0 H HIS A 7 7.979 -13.420 -8.012 1.00 1.00 H new ATOM 0 HA HIS A 7 8.250 -11.179 -6.366 1.00 1.00 H new ATOM 0 HB2 HIS A 7 10.247 -13.254 -7.415 1.00 1.00 H new ATOM 0 HB3 HIS A 7 10.681 -12.028 -6.241 1.00 1.00 H new ATOM 0 HD2 HIS A 7 7.763 -12.275 -4.517 1.00 1.00 H new ATOM 0 HE1 HIS A 7 9.026 -16.277 -3.940 1.00 1.00 H new ATOM 0 HE2 HIS A 7 7.431 -14.468 -3.143 1.00 1.00 H new ATOM 106 N ARG A 8 9.502 -10.878 -9.353 1.00 1.00 N ATOM 107 CA ARG A 8 9.887 -9.857 -10.277 1.00 1.00 C ATOM 108 C ARG A 8 8.875 -8.770 -10.397 1.00 1.00 C ATOM 109 O ARG A 8 9.214 -7.591 -10.305 1.00 1.00 O ATOM 110 CB ARG A 8 10.204 -10.463 -11.655 1.00 1.00 C ATOM 111 CG ARG A 8 11.698 -10.674 -11.910 1.00 1.00 C ATOM 112 CD ARG A 8 12.496 -11.201 -10.718 1.00 1.00 C ATOM 113 NE ARG A 8 13.764 -11.774 -11.253 1.00 1.00 N ATOM 114 CZ ARG A 8 13.858 -13.071 -11.670 1.00 1.00 C ATOM 115 NH1 ARG A 8 12.774 -13.900 -11.660 1.00 1.00 N ATOM 116 NH2 ARG A 8 15.064 -13.576 -12.064 1.00 1.00 N ATOM 0 H ARG A 8 9.330 -11.785 -9.786 1.00 1.00 H new ATOM 0 HA ARG A 8 10.790 -9.397 -9.876 1.00 1.00 H new ATOM 0 HB2 ARG A 8 9.691 -11.420 -11.747 1.00 1.00 H new ATOM 0 HB3 ARG A 8 9.802 -9.810 -12.430 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.813 -11.371 -12.740 1.00 1.00 H new ATOM 0 HG3 ARG A 8 12.133 -9.726 -12.227 1.00 1.00 H new ATOM 0 HD2 ARG A 8 12.705 -10.399 -10.010 1.00 1.00 H new ATOM 0 HD3 ARG A 8 11.928 -11.960 -10.180 1.00 1.00 H new ATOM 0 HE ARG A 8 14.589 -11.177 -11.309 1.00 1.00 H new ATOM 0 HH11 ARG A 8 11.871 -13.554 -11.337 1.00 1.00 H new ATOM 0 HH12 ARG A 8 12.867 -14.865 -11.976 1.00 1.00 H new ATOM 0 HH21 ARG A 8 15.895 -12.984 -12.047 1.00 1.00 H new ATOM 0 HH22 ARG A 8 15.134 -14.545 -12.375 1.00 1.00 H new ATOM 130 N LEU A 9 7.579 -9.100 -10.538 1.00 1.00 N ATOM 131 CA LEU A 9 6.495 -8.167 -10.534 1.00 1.00 C ATOM 132 C LEU A 9 6.380 -7.387 -9.271 1.00 1.00 C ATOM 133 O LEU A 9 6.045 -6.203 -9.292 1.00 1.00 O ATOM 134 CB LEU A 9 5.180 -8.911 -10.828 1.00 1.00 C ATOM 135 CG LEU A 9 5.079 -9.496 -12.247 1.00 1.00 C ATOM 136 CD1 LEU A 9 3.812 -10.355 -12.392 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.114 -8.420 -13.346 1.00 1.00 C ATOM 0 H LEU A 9 7.272 -10.065 -10.661 1.00 1.00 H new ATOM 0 HA LEU A 9 6.702 -7.436 -11.316 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.067 -9.720 -10.107 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.347 -8.225 -10.672 1.00 1.00 H new ATOM 0 HG LEU A 9 5.961 -10.121 -12.384 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.760 -10.759 -13.403 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.844 -11.175 -11.675 1.00 1.00 H new ATOM 0 HD13 LEU A 9 2.932 -9.741 -12.201 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.039 -8.896 -14.324 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.277 -7.735 -13.211 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.051 -7.866 -13.283 1.00 1.00 H new ATOM 149 N ALA A 10 6.697 -7.996 -8.113 1.00 1.00 N ATOM 150 CA ALA A 10 6.833 -7.354 -6.843 1.00 1.00 C ATOM 151 C ALA A 10 7.873 -6.286 -6.832 1.00 1.00 C ATOM 152 O ALA A 10 7.626 -5.163 -6.393 1.00 1.00 O ATOM 153 CB ALA A 10 7.147 -8.373 -5.735 1.00 1.00 C ATOM 0 H ALA A 10 6.869 -9.000 -8.063 1.00 1.00 H new ATOM 0 HA ALA A 10 5.869 -6.882 -6.651 1.00 1.00 H new ATOM 0 HB1 ALA A 10 7.245 -7.855 -4.781 1.00 1.00 H new ATOM 0 HB2 ALA A 10 6.339 -9.102 -5.671 1.00 1.00 H new ATOM 0 HB3 ALA A 10 8.080 -8.886 -5.966 1.00 1.00 H new ATOM 159 N ASP A 11 9.062 -6.581 -7.386 1.00 1.00 N ATOM 160 CA ASP A 11 10.114 -5.638 -7.603 1.00 1.00 C ATOM 161 C ASP A 11 9.704 -4.492 -8.462 1.00 1.00 C ATOM 162 O ASP A 11 10.030 -3.343 -8.165 1.00 1.00 O ATOM 163 CB ASP A 11 11.330 -6.379 -8.186 1.00 1.00 C ATOM 164 CG ASP A 11 12.518 -6.373 -7.234 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.350 -6.731 -6.037 1.00 1.00 O ATOM 166 OD2 ASP A 11 13.652 -6.070 -7.690 1.00 1.00 O ATOM 0 H ASP A 11 9.301 -7.522 -7.697 1.00 1.00 H new ATOM 0 HA ASP A 11 10.378 -5.194 -6.643 1.00 1.00 H new ATOM 0 HB2 ASP A 11 11.052 -7.409 -8.411 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.619 -5.914 -9.128 1.00 1.00 H new ATOM 171 N GLN A 12 8.940 -4.723 -9.543 1.00 1.00 N ATOM 172 CA GLN A 12 8.353 -3.694 -10.345 1.00 1.00 C ATOM 173 C GLN A 12 7.451 -2.760 -9.616 1.00 1.00 C ATOM 174 O GLN A 12 7.685 -1.553 -9.603 1.00 1.00 O ATOM 175 CB GLN A 12 7.600 -4.233 -11.574 1.00 1.00 C ATOM 176 CG GLN A 12 8.434 -5.157 -12.462 1.00 1.00 C ATOM 177 CD GLN A 12 7.760 -5.430 -13.800 1.00 1.00 C ATOM 178 OE1 GLN A 12 6.734 -4.860 -14.167 1.00 1.00 O ATOM 179 NE2 GLN A 12 8.359 -6.369 -14.580 1.00 1.00 N ATOM 0 H GLN A 12 8.722 -5.663 -9.872 1.00 1.00 H new ATOM 0 HA GLN A 12 9.228 -3.129 -10.666 1.00 1.00 H new ATOM 0 HB2 GLN A 12 6.715 -4.773 -11.237 1.00 1.00 H new ATOM 0 HB3 GLN A 12 7.251 -3.391 -12.171 1.00 1.00 H new ATOM 0 HG2 GLN A 12 9.412 -4.707 -12.635 1.00 1.00 H new ATOM 0 HG3 GLN A 12 8.604 -6.101 -11.943 1.00 1.00 H new ATOM 0 HE21 GLN A 12 9.210 -6.831 -14.259 1.00 1.00 H new ATOM 0 HE22 GLN A 12 7.958 -6.611 -15.486 1.00 1.00 H new ATOM 188 N LEU A 13 6.378 -3.247 -8.968 1.00 1.00 N ATOM 189 CA LEU A 13 5.409 -2.435 -8.299 1.00 1.00 C ATOM 190 C LEU A 13 5.918 -1.702 -7.104 1.00 1.00 C ATOM 191 O LEU A 13 5.600 -0.531 -6.904 1.00 1.00 O ATOM 192 CB LEU A 13 4.159 -3.278 -7.994 1.00 1.00 C ATOM 193 CG LEU A 13 4.318 -4.525 -7.109 1.00 1.00 C ATOM 194 CD1 LEU A 13 4.052 -4.242 -5.620 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.371 -5.654 -7.552 1.00 1.00 C ATOM 0 H LEU A 13 6.177 -4.245 -8.908 1.00 1.00 H new ATOM 0 HA LEU A 13 5.143 -1.630 -8.985 1.00 1.00 H new ATOM 0 HB2 LEU A 13 3.426 -2.626 -7.520 1.00 1.00 H new ATOM 0 HB3 LEU A 13 3.734 -3.598 -8.945 1.00 1.00 H new ATOM 0 HG LEU A 13 5.358 -4.830 -7.230 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.180 -5.160 -5.047 1.00 1.00 H new ATOM 0 HD12 LEU A 13 4.755 -3.490 -5.261 1.00 1.00 H new ATOM 0 HD13 LEU A 13 3.033 -3.875 -5.496 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.510 -6.520 -6.905 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.339 -5.311 -7.483 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.593 -5.932 -8.582 1.00 1.00 H new ATOM 207 N TRP A 14 6.767 -2.340 -6.278 1.00 1.00 N ATOM 208 CA TRP A 14 7.424 -1.739 -5.160 1.00 1.00 C ATOM 209 C TRP A 14 8.376 -0.664 -5.555 1.00 1.00 C ATOM 210 O TRP A 14 8.370 0.418 -4.969 1.00 1.00 O ATOM 211 CB TRP A 14 8.129 -2.790 -4.286 1.00 1.00 C ATOM 212 CG TRP A 14 7.229 -3.694 -3.476 1.00 1.00 C ATOM 213 CD1 TRP A 14 5.981 -3.455 -2.980 1.00 1.00 C ATOM 214 CD2 TRP A 14 7.617 -4.983 -2.969 1.00 1.00 C ATOM 215 NE1 TRP A 14 5.566 -4.496 -2.190 1.00 1.00 N ATOM 216 CE2 TRP A 14 6.567 -5.438 -2.162 1.00 1.00 C ATOM 217 CE3 TRP A 14 8.751 -5.733 -3.128 1.00 1.00 C ATOM 218 CZ2 TRP A 14 6.651 -6.638 -1.511 1.00 1.00 C ATOM 219 CZ3 TRP A 14 8.818 -6.942 -2.477 1.00 1.00 C ATOM 220 CH2 TRP A 14 7.790 -7.388 -1.679 1.00 1.00 C ATOM 0 H TRP A 14 7.007 -3.324 -6.397 1.00 1.00 H new ATOM 0 HA TRP A 14 6.638 -1.268 -4.570 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.749 -3.412 -4.931 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.801 -2.272 -3.601 1.00 1.00 H new ATOM 0 HD1 TRP A 14 5.400 -2.568 -3.182 1.00 1.00 H new ATOM 0 HE1 TRP A 14 4.670 -4.560 -1.707 1.00 1.00 H new ATOM 0 HE3 TRP A 14 9.567 -5.386 -3.745 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 5.845 -6.986 -0.883 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 9.699 -7.556 -2.595 1.00 1.00 H new ATOM 0 HH2 TRP A 14 7.879 -8.340 -1.178 1.00 1.00 H new ATOM 231 N LEU A 15 9.203 -0.874 -6.596 1.00 1.00 N ATOM 232 CA LEU A 15 10.030 0.142 -7.171 1.00 1.00 C ATOM 233 C LEU A 15 9.243 1.303 -7.669 1.00 1.00 C ATOM 234 O LEU A 15 9.473 2.443 -7.265 1.00 1.00 O ATOM 235 CB LEU A 15 10.889 -0.407 -8.322 1.00 1.00 C ATOM 236 CG LEU A 15 11.800 0.607 -9.035 1.00 1.00 C ATOM 237 CD1 LEU A 15 12.885 1.182 -8.109 1.00 1.00 C ATOM 238 CD2 LEU A 15 12.450 -0.039 -10.270 1.00 1.00 C ATOM 0 H LEU A 15 9.299 -1.781 -7.052 1.00 1.00 H new ATOM 0 HA LEU A 15 10.679 0.482 -6.364 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.512 -1.211 -7.931 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.225 -0.851 -9.063 1.00 1.00 H new ATOM 0 HG LEU A 15 11.168 1.439 -9.345 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.499 1.892 -8.664 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.414 1.690 -7.268 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.513 0.372 -7.738 1.00 1.00 H new ATOM 0 HD21 LEU A 15 13.092 0.689 -10.766 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.046 -0.897 -9.960 1.00 1.00 H new ATOM 0 HD23 LEU A 15 11.673 -0.367 -10.960 1.00 1.00 H new ATOM 250 N THR A 16 8.255 1.046 -8.544 1.00 1.00 N ATOM 251 CA THR A 16 7.467 2.030 -9.219 1.00 1.00 C ATOM 252 C THR A 16 6.756 2.953 -8.289 1.00 1.00 C ATOM 253 O THR A 16 6.911 4.168 -8.393 1.00 1.00 O ATOM 254 CB THR A 16 6.478 1.456 -10.188 1.00 1.00 C ATOM 255 OG1 THR A 16 7.128 0.573 -11.091 1.00 1.00 O ATOM 256 CG2 THR A 16 5.839 2.553 -11.055 1.00 1.00 C ATOM 0 H THR A 16 7.991 0.093 -8.795 1.00 1.00 H new ATOM 0 HA THR A 16 8.205 2.599 -9.785 1.00 1.00 H new ATOM 0 HB THR A 16 5.722 0.944 -9.592 1.00 1.00 H new ATOM 0 HG1 THR A 16 7.232 -0.306 -10.671 1.00 1.00 H new ATOM 0 HG21 THR A 16 5.127 2.102 -11.746 1.00 1.00 H new ATOM 0 HG22 THR A 16 5.321 3.267 -10.415 1.00 1.00 H new ATOM 0 HG23 THR A 16 6.616 3.069 -11.619 1.00 1.00 H new ATOM 264 N ILE A 17 5.978 2.445 -7.317 1.00 1.00 N ATOM 265 CA ILE A 17 5.291 3.279 -6.380 1.00 1.00 C ATOM 266 C ILE A 17 6.194 3.993 -5.434 1.00 1.00 C ATOM 267 O ILE A 17 6.021 5.195 -5.242 1.00 1.00 O ATOM 268 CB ILE A 17 4.162 2.574 -5.688 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.224 1.972 -6.748 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.399 3.548 -4.774 1.00 1.00 C ATOM 271 CD1 ILE A 17 1.906 1.420 -6.209 1.00 1.00 C ATOM 0 H ILE A 17 5.824 1.446 -7.179 1.00 1.00 H new ATOM 0 HA ILE A 17 4.834 4.064 -6.983 1.00 1.00 H new ATOM 0 HB ILE A 17 4.559 1.774 -5.063 1.00 1.00 H new ATOM 0 HG12 ILE A 17 3.002 2.738 -7.491 1.00 1.00 H new ATOM 0 HG13 ILE A 17 3.752 1.170 -7.264 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.583 3.020 -4.280 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.079 3.950 -4.023 1.00 1.00 H new ATOM 0 HG23 ILE A 17 2.993 4.365 -5.371 1.00 1.00 H new ATOM 0 HD11 ILE A 17 1.316 1.018 -7.033 1.00 1.00 H new ATOM 0 HD12 ILE A 17 2.111 0.627 -5.489 1.00 1.00 H new ATOM 0 HD13 ILE A 17 1.350 2.220 -5.720 1.00 1.00 H new ATOM 283 N GLU A 18 7.217 3.349 -4.845 1.00 1.00 N ATOM 284 CA GLU A 18 8.109 4.018 -3.948 1.00 1.00 C ATOM 285 C GLU A 18 8.841 5.145 -4.592 1.00 1.00 C ATOM 286 O GLU A 18 8.861 6.264 -4.081 1.00 1.00 O ATOM 287 CB GLU A 18 9.132 3.086 -3.279 1.00 1.00 C ATOM 288 CG GLU A 18 9.705 3.646 -1.977 1.00 1.00 C ATOM 289 CD GLU A 18 10.907 2.903 -1.412 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.387 1.916 -2.031 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.449 3.363 -0.372 1.00 1.00 O ATOM 0 H GLU A 18 7.428 2.362 -4.990 1.00 1.00 H new ATOM 0 HA GLU A 18 7.448 4.411 -3.175 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.658 2.126 -3.075 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.949 2.897 -3.975 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.989 4.685 -2.144 1.00 1.00 H new ATOM 0 HG3 GLU A 18 8.916 3.648 -1.225 1.00 1.00 H new ATOM 298 N GLU A 19 9.412 4.904 -5.786 1.00 1.00 N ATOM 299 CA GLU A 19 10.054 5.886 -6.604 1.00 1.00 C ATOM 300 C GLU A 19 9.162 7.013 -6.991 1.00 1.00 C ATOM 301 O GLU A 19 9.483 8.169 -6.721 1.00 1.00 O ATOM 302 CB GLU A 19 10.688 5.273 -7.864 1.00 1.00 C ATOM 303 CG GLU A 19 11.432 6.280 -8.744 1.00 1.00 C ATOM 304 CD GLU A 19 12.168 5.652 -9.920 1.00 1.00 C ATOM 305 OE1 GLU A 19 13.256 5.055 -9.703 1.00 1.00 O ATOM 306 OE2 GLU A 19 11.720 5.828 -11.083 1.00 1.00 O ATOM 0 H GLU A 19 9.426 3.973 -6.203 1.00 1.00 H new ATOM 0 HA GLU A 19 10.844 6.294 -5.974 1.00 1.00 H new ATOM 0 HB2 GLU A 19 11.382 4.488 -7.563 1.00 1.00 H new ATOM 0 HB3 GLU A 19 9.906 4.798 -8.456 1.00 1.00 H new ATOM 0 HG2 GLU A 19 10.719 7.011 -9.124 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.149 6.824 -8.129 1.00 1.00 H new ATOM 313 N ARG A 20 7.997 6.740 -7.606 1.00 1.00 N ATOM 314 CA ARG A 20 7.086 7.724 -8.102 1.00 1.00 C ATOM 315 C ARG A 20 6.591 8.673 -7.065 1.00 1.00 C ATOM 316 O ARG A 20 6.559 9.885 -7.275 1.00 1.00 O ATOM 317 CB ARG A 20 5.891 7.075 -8.819 1.00 1.00 C ATOM 318 CG ARG A 20 5.134 7.992 -9.781 1.00 1.00 C ATOM 319 CD ARG A 20 5.937 8.332 -11.038 1.00 1.00 C ATOM 320 NE ARG A 20 5.046 9.087 -11.962 1.00 1.00 N ATOM 321 CZ ARG A 20 5.403 9.367 -13.250 1.00 1.00 C ATOM 322 NH1 ARG A 20 6.568 8.914 -13.797 1.00 1.00 N ATOM 323 NH2 ARG A 20 4.592 10.103 -14.065 1.00 1.00 N ATOM 0 H ARG A 20 7.675 5.785 -7.765 1.00 1.00 H new ATOM 0 HA ARG A 20 7.669 8.309 -8.814 1.00 1.00 H new ATOM 0 HB2 ARG A 20 6.248 6.208 -9.374 1.00 1.00 H new ATOM 0 HB3 ARG A 20 5.193 6.707 -8.067 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.200 7.512 -10.072 1.00 1.00 H new ATOM 0 HG3 ARG A 20 4.871 8.915 -9.264 1.00 1.00 H new ATOM 0 HD2 ARG A 20 6.813 8.928 -10.781 1.00 1.00 H new ATOM 0 HD3 ARG A 20 6.300 7.422 -11.517 1.00 1.00 H new ATOM 0 HE ARG A 20 4.139 9.406 -11.621 1.00 1.00 H new ATOM 0 HH11 ARG A 20 7.206 8.346 -13.240 1.00 1.00 H new ATOM 0 HH12 ARG A 20 6.801 9.144 -14.763 1.00 1.00 H new ATOM 0 HH21 ARG A 20 3.701 10.455 -13.715 1.00 1.00 H new ATOM 0 HH22 ARG A 20 4.877 10.301 -15.024 1.00 1.00 H new ATOM 337 N LEU A 21 6.218 8.166 -5.877 1.00 1.00 N ATOM 338 CA LEU A 21 5.749 8.995 -4.810 1.00 1.00 C ATOM 339 C LEU A 21 6.827 9.761 -4.124 1.00 1.00 C ATOM 340 O LEU A 21 6.655 10.953 -3.872 1.00 1.00 O ATOM 341 CB LEU A 21 4.917 8.195 -3.794 1.00 1.00 C ATOM 342 CG LEU A 21 3.641 7.568 -4.378 1.00 1.00 C ATOM 343 CD1 LEU A 21 2.873 6.826 -3.272 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.707 8.602 -5.029 1.00 1.00 C ATOM 0 H LEU A 21 6.242 7.171 -5.654 1.00 1.00 H new ATOM 0 HA LEU A 21 5.104 9.735 -5.284 1.00 1.00 H new ATOM 0 HB2 LEU A 21 5.539 7.403 -3.376 1.00 1.00 H new ATOM 0 HB3 LEU A 21 4.641 8.853 -2.970 1.00 1.00 H new ATOM 0 HG LEU A 21 3.961 6.878 -5.159 1.00 1.00 H new ATOM 0 HD11 LEU A 21 1.969 6.383 -3.691 1.00 1.00 H new ATOM 0 HD12 LEU A 21 3.503 6.040 -2.856 1.00 1.00 H new ATOM 0 HD13 LEU A 21 2.601 7.528 -2.484 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.824 8.098 -5.423 1.00 1.00 H new ATOM 0 HD22 LEU A 21 2.403 9.338 -4.284 1.00 1.00 H new ATOM 0 HD23 LEU A 21 3.231 9.104 -5.842 1.00 1.00 H new ATOM 356 N ASP A 22 7.990 9.159 -3.818 1.00 1.00 N ATOM 357 CA ASP A 22 9.096 9.854 -3.234 1.00 1.00 C ATOM 358 C ASP A 22 9.684 10.912 -4.099 1.00 1.00 C ATOM 359 O ASP A 22 10.111 11.954 -3.603 1.00 1.00 O ATOM 360 CB ASP A 22 10.146 8.817 -2.800 1.00 1.00 C ATOM 361 CG ASP A 22 11.214 9.405 -1.888 1.00 1.00 C ATOM 362 OD1 ASP A 22 10.897 9.736 -0.714 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.388 9.536 -2.326 1.00 1.00 O ATOM 0 H ASP A 22 8.166 8.167 -3.980 1.00 1.00 H new ATOM 0 HA ASP A 22 8.723 10.403 -2.369 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.648 7.995 -2.286 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.622 8.396 -3.686 1.00 1.00 H new ATOM 368 N ASP A 23 9.727 10.726 -5.431 1.00 1.00 N ATOM 369 CA ASP A 23 10.260 11.667 -6.368 1.00 1.00 C ATOM 370 C ASP A 23 9.410 12.876 -6.557 1.00 1.00 C ATOM 371 O ASP A 23 9.904 14.000 -6.633 1.00 1.00 O ATOM 372 CB ASP A 23 10.476 10.952 -7.712 1.00 1.00 C ATOM 373 CG ASP A 23 11.278 11.783 -8.702 1.00 1.00 C ATOM 374 OD1 ASP A 23 12.484 12.031 -8.437 1.00 1.00 O ATOM 375 OD2 ASP A 23 10.707 12.218 -9.738 1.00 1.00 O ATOM 0 H ASP A 23 9.373 9.879 -5.876 1.00 1.00 H new ATOM 0 HA ASP A 23 11.203 12.033 -5.961 1.00 1.00 H new ATOM 0 HB2 ASP A 23 10.991 10.008 -7.537 1.00 1.00 H new ATOM 0 HB3 ASP A 23 9.507 10.710 -8.149 1.00 1.00 H new ATOM 380 N TRP A 24 8.083 12.690 -6.670 1.00 1.00 N ATOM 381 CA TRP A 24 7.154 13.728 -6.991 1.00 1.00 C ATOM 382 C TRP A 24 6.820 14.605 -5.835 1.00 1.00 C ATOM 383 O TRP A 24 6.920 14.224 -4.669 1.00 1.00 O ATOM 384 CB TRP A 24 5.899 13.094 -7.617 1.00 1.00 C ATOM 385 CG TRP A 24 4.903 14.060 -8.213 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.664 14.400 -7.751 1.00 1.00 C ATOM 387 CD2 TRP A 24 5.158 14.910 -9.348 1.00 1.00 C ATOM 388 NE1 TRP A 24 3.140 15.416 -8.506 1.00 1.00 N ATOM 389 CE2 TRP A 24 4.042 15.741 -9.492 1.00 1.00 C ATOM 390 CE3 TRP A 24 6.229 15.011 -10.193 1.00 1.00 C ATOM 391 CZ2 TRP A 24 4.002 16.685 -10.482 1.00 1.00 C ATOM 392 CZ3 TRP A 24 6.173 15.958 -11.187 1.00 1.00 C ATOM 393 CH2 TRP A 24 5.082 16.784 -11.328 1.00 1.00 C ATOM 0 H TRP A 24 7.640 11.781 -6.532 1.00 1.00 H new ATOM 0 HA TRP A 24 7.627 14.394 -7.712 1.00 1.00 H new ATOM 0 HB2 TRP A 24 6.215 12.401 -8.396 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.393 12.505 -6.852 1.00 1.00 H new ATOM 0 HD1 TRP A 24 3.169 13.935 -6.912 1.00 1.00 H new ATOM 0 HE1 TRP A 24 2.232 15.858 -8.361 1.00 1.00 H new ATOM 0 HE3 TRP A 24 7.090 14.368 -10.083 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 3.146 17.334 -10.596 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 7.003 16.056 -11.872 1.00 1.00 H new ATOM 0 HH2 TRP A 24 5.073 17.522 -12.116 1.00 1.00 H new ATOM 404 N ASP A 25 6.414 15.858 -6.109 1.00 1.00 N ATOM 405 CA ASP A 25 6.134 16.842 -5.109 1.00 1.00 C ATOM 406 C ASP A 25 4.677 16.910 -4.807 1.00 1.00 C ATOM 407 O ASP A 25 3.945 15.931 -4.950 1.00 1.00 O ATOM 408 CB ASP A 25 6.699 18.208 -5.533 1.00 1.00 C ATOM 409 CG ASP A 25 8.195 18.101 -5.782 1.00 1.00 C ATOM 410 OD1 ASP A 25 8.946 17.732 -4.838 1.00 1.00 O ATOM 411 OD2 ASP A 25 8.645 18.401 -6.919 1.00 1.00 O ATOM 0 H ASP A 25 6.276 16.198 -7.061 1.00 1.00 H new ATOM 0 HA ASP A 25 6.631 16.547 -4.185 1.00 1.00 H new ATOM 0 HB2 ASP A 25 6.196 18.554 -6.436 1.00 1.00 H new ATOM 0 HB3 ASP A 25 6.504 18.948 -4.757 1.00 1.00 H new ATOM 416 N GLY A 26 4.182 18.070 -4.338 1.00 1.00 N ATOM 417 CA GLY A 26 2.812 18.267 -3.973 1.00 1.00 C ATOM 418 C GLY A 26 2.734 19.340 -2.943 1.00 1.00 C ATOM 419 O GLY A 26 3.739 19.967 -2.608 1.00 1.00 O ATOM 0 H GLY A 26 4.757 18.902 -4.208 1.00 1.00 H new ATOM 0 HA2 GLY A 26 2.225 18.543 -4.849 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.389 17.341 -3.584 1.00 1.00 H new ATOM 423 N ASP A 27 1.537 19.580 -2.378 1.00 1.00 N ATOM 424 CA ASP A 27 1.360 20.435 -1.243 1.00 1.00 C ATOM 425 C ASP A 27 1.771 19.685 -0.023 1.00 1.00 C ATOM 426 O ASP A 27 2.522 20.176 0.819 1.00 1.00 O ATOM 427 CB ASP A 27 -0.102 20.899 -1.148 1.00 1.00 C ATOM 428 CG ASP A 27 -0.255 22.163 -0.315 1.00 1.00 C ATOM 429 OD1 ASP A 27 -0.121 23.270 -0.903 1.00 1.00 O ATOM 430 OD2 ASP A 27 -0.569 22.083 0.903 1.00 1.00 O ATOM 0 H ASP A 27 0.668 19.169 -2.719 1.00 1.00 H new ATOM 0 HA ASP A 27 1.977 21.328 -1.341 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -0.489 21.079 -2.151 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -0.705 20.103 -0.711 1.00 1.00 H new ATOM 435 N SER A 28 1.325 18.418 0.058 1.00 1.00 N ATOM 436 CA SER A 28 1.702 17.458 1.048 1.00 1.00 C ATOM 437 C SER A 28 3.120 17.012 0.942 1.00 1.00 C ATOM 438 O SER A 28 3.748 17.039 -0.114 1.00 1.00 O ATOM 439 CB SER A 28 0.820 16.204 0.926 1.00 1.00 C ATOM 440 OG SER A 28 0.986 15.259 1.972 1.00 1.00 O ATOM 0 H SER A 28 0.657 18.041 -0.614 1.00 1.00 H new ATOM 0 HA SER A 28 1.572 17.962 2.006 1.00 1.00 H new ATOM 0 HB2 SER A 28 -0.225 16.513 0.896 1.00 1.00 H new ATOM 0 HB3 SER A 28 1.036 15.716 -0.024 1.00 1.00 H new ATOM 0 HG SER A 28 1.774 14.706 1.791 1.00 1.00 H new ATOM 446 N ASP A 29 3.665 16.528 2.073 1.00 1.00 N ATOM 447 CA ASP A 29 4.870 15.764 2.161 1.00 1.00 C ATOM 448 C ASP A 29 4.516 14.333 1.952 1.00 1.00 C ATOM 449 O ASP A 29 3.345 13.983 1.807 1.00 1.00 O ATOM 450 CB ASP A 29 5.474 16.056 3.545 1.00 1.00 C ATOM 451 CG ASP A 29 6.983 15.857 3.587 1.00 1.00 C ATOM 452 OD1 ASP A 29 7.453 14.688 3.574 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.713 16.881 3.665 1.00 1.00 O ATOM 0 H ASP A 29 3.234 16.681 2.985 1.00 1.00 H new ATOM 0 HA ASP A 29 5.614 16.020 1.406 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.240 17.082 3.829 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.006 15.406 4.284 1.00 1.00 H new ATOM 458 N ILE A 30 5.506 13.424 1.898 1.00 1.00 N ATOM 459 CA ILE A 30 5.293 12.056 1.539 1.00 1.00 C ATOM 460 C ILE A 30 6.487 11.284 1.986 1.00 1.00 C ATOM 461 O ILE A 30 7.630 11.565 1.626 1.00 1.00 O ATOM 462 CB ILE A 30 4.940 11.892 0.092 1.00 1.00 C ATOM 463 CG1 ILE A 30 4.213 10.578 -0.239 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.105 12.216 -0.860 1.00 1.00 C ATOM 465 CD1 ILE A 30 5.071 9.313 -0.271 1.00 1.00 C ATOM 0 H ILE A 30 6.479 13.645 2.109 1.00 1.00 H new ATOM 0 HA ILE A 30 4.417 11.653 2.047 1.00 1.00 H new ATOM 0 HB ILE A 30 4.192 12.661 -0.098 1.00 1.00 H new ATOM 0 HG12 ILE A 30 3.419 10.433 0.494 1.00 1.00 H new ATOM 0 HG13 ILE A 30 3.733 10.689 -1.211 1.00 1.00 H new ATOM 0 HG21 ILE A 30 5.781 12.077 -1.892 1.00 1.00 H new ATOM 0 HG22 ILE A 30 6.417 13.250 -0.714 1.00 1.00 H new ATOM 0 HG23 ILE A 30 6.943 11.551 -0.650 1.00 1.00 H new ATOM 0 HD11 ILE A 30 4.445 8.455 -0.515 1.00 1.00 H new ATOM 0 HD12 ILE A 30 5.850 9.421 -1.026 1.00 1.00 H new ATOM 0 HD13 ILE A 30 5.531 9.161 0.705 1.00 1.00 H new ATOM 477 N ASP A 31 6.282 10.299 2.878 1.00 1.00 N ATOM 478 CA ASP A 31 7.292 9.389 3.321 1.00 1.00 C ATOM 479 C ASP A 31 6.753 8.002 3.246 1.00 1.00 C ATOM 480 O ASP A 31 5.845 7.617 3.980 1.00 1.00 O ATOM 481 CB ASP A 31 7.729 9.789 4.740 1.00 1.00 C ATOM 482 CG ASP A 31 8.990 9.092 5.228 1.00 1.00 C ATOM 483 OD1 ASP A 31 10.086 9.356 4.663 1.00 1.00 O ATOM 484 OD2 ASP A 31 8.920 8.321 6.223 1.00 1.00 O ATOM 0 H ASP A 31 5.373 10.129 3.309 1.00 1.00 H new ATOM 0 HA ASP A 31 8.177 9.428 2.686 1.00 1.00 H new ATOM 0 HB2 ASP A 31 7.890 10.867 4.767 1.00 1.00 H new ATOM 0 HB3 ASP A 31 6.916 9.571 5.433 1.00 1.00 H new ATOM 489 N CYS A 32 7.261 7.157 2.331 1.00 1.00 N ATOM 490 CA CYS A 32 6.902 5.774 2.247 1.00 1.00 C ATOM 491 C CYS A 32 7.822 4.960 3.091 1.00 1.00 C ATOM 492 O CYS A 32 9.038 5.148 3.079 1.00 1.00 O ATOM 493 CB CYS A 32 7.030 5.281 0.797 1.00 1.00 C ATOM 494 SG CYS A 32 5.805 5.969 -0.359 1.00 1.00 S ATOM 0 H CYS A 32 7.942 7.444 1.628 1.00 1.00 H new ATOM 0 HA CYS A 32 5.873 5.667 2.591 1.00 1.00 H new ATOM 0 HB2 CYS A 32 8.028 5.525 0.433 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.944 4.194 0.789 1.00 1.00 H new ATOM 0 HG CYS A 32 6.011 5.485 -1.548 1.00 1.00 H new ATOM 500 N GLU A 33 7.273 4.016 3.877 1.00 1.00 N ATOM 501 CA GLU A 33 8.000 3.166 4.769 1.00 1.00 C ATOM 502 C GLU A 33 8.151 1.821 4.148 1.00 1.00 C ATOM 503 O GLU A 33 7.169 1.262 3.661 1.00 1.00 O ATOM 504 CB GLU A 33 7.231 2.965 6.086 1.00 1.00 C ATOM 505 CG GLU A 33 6.671 4.235 6.731 1.00 1.00 C ATOM 506 CD GLU A 33 5.836 3.923 7.963 1.00 1.00 C ATOM 507 OE1 GLU A 33 5.011 2.972 7.912 1.00 1.00 O ATOM 508 OE2 GLU A 33 5.987 4.627 8.997 1.00 1.00 O ATOM 0 H GLU A 33 6.269 3.837 3.891 1.00 1.00 H new ATOM 0 HA GLU A 33 8.965 3.634 4.965 1.00 1.00 H new ATOM 0 HB2 GLU A 33 6.404 2.279 5.901 1.00 1.00 H new ATOM 0 HB3 GLU A 33 7.894 2.479 6.801 1.00 1.00 H new ATOM 0 HG2 GLU A 33 7.493 4.895 7.007 1.00 1.00 H new ATOM 0 HG3 GLU A 33 6.061 4.772 6.005 1.00 1.00 H new ATOM 515 N ILE A 34 9.358 1.229 4.153 1.00 1.00 N ATOM 516 CA ILE A 34 9.623 -0.091 3.671 1.00 1.00 C ATOM 517 C ILE A 34 9.984 -0.909 4.863 1.00 1.00 C ATOM 518 O ILE A 34 10.980 -0.706 5.556 1.00 1.00 O ATOM 519 CB ILE A 34 10.665 -0.132 2.593 1.00 1.00 C ATOM 520 CG1 ILE A 34 11.095 -1.563 2.231 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.895 0.727 2.930 1.00 1.00 C ATOM 522 CD1 ILE A 34 9.975 -2.455 1.697 1.00 1.00 C ATOM 0 H ILE A 34 10.192 1.695 4.512 1.00 1.00 H new ATOM 0 HA ILE A 34 8.740 -0.499 3.179 1.00 1.00 H new ATOM 0 HB ILE A 34 10.184 0.299 1.715 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.886 -1.511 1.483 1.00 1.00 H new ATOM 0 HG13 ILE A 34 11.523 -2.033 3.116 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.618 0.662 2.117 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.589 1.765 3.061 1.00 1.00 H new ATOM 0 HG23 ILE A 34 12.351 0.364 3.851 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.374 -3.443 1.470 1.00 1.00 H new ATOM 0 HD12 ILE A 34 9.191 -2.544 2.449 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.560 -2.014 0.791 1.00 1.00 H new ATOM 534 N ASN A 35 9.100 -1.877 5.166 1.00 1.00 N ATOM 535 CA ASN A 35 9.243 -2.739 6.298 1.00 1.00 C ATOM 536 C ASN A 35 8.938 -4.153 5.941 1.00 1.00 C ATOM 537 O ASN A 35 7.781 -4.567 5.880 1.00 1.00 O ATOM 538 CB ASN A 35 8.341 -2.239 7.440 1.00 1.00 C ATOM 539 CG ASN A 35 8.955 -2.537 8.801 1.00 1.00 C ATOM 540 OD1 ASN A 35 9.506 -1.643 9.438 1.00 1.00 O ATOM 541 ND2 ASN A 35 8.889 -3.813 9.264 1.00 1.00 N ATOM 0 H ASN A 35 8.266 -2.065 4.610 1.00 1.00 H new ATOM 0 HA ASN A 35 10.280 -2.714 6.634 1.00 1.00 H new ATOM 0 HB2 ASN A 35 8.182 -1.165 7.337 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.363 -2.714 7.368 1.00 1.00 H new ATOM 0 HD21 ASN A 35 9.304 -4.051 10.165 1.00 1.00 H new ATOM 0 HD22 ASN A 35 8.424 -4.533 8.711 1.00 1.00 H new ATOM 548 N GLY A 36 9.968 -4.981 5.691 1.00 1.00 N ATOM 549 CA GLY A 36 9.849 -6.405 5.656 1.00 1.00 C ATOM 550 C GLY A 36 9.128 -6.979 4.487 1.00 1.00 C ATOM 551 O GLY A 36 8.560 -8.066 4.575 1.00 1.00 O ATOM 0 H GLY A 36 10.915 -4.648 5.507 1.00 1.00 H new ATOM 0 HA2 GLY A 36 10.851 -6.833 5.683 1.00 1.00 H new ATOM 0 HA3 GLY A 36 9.340 -6.728 6.564 1.00 1.00 H new ATOM 555 N GLY A 37 9.127 -6.262 3.349 1.00 1.00 N ATOM 556 CA GLY A 37 8.375 -6.617 2.186 1.00 1.00 C ATOM 557 C GLY A 37 6.983 -6.087 2.212 1.00 1.00 C ATOM 558 O GLY A 37 6.098 -6.596 1.525 1.00 1.00 O ATOM 0 H GLY A 37 9.669 -5.405 3.235 1.00 1.00 H new ATOM 0 HA2 GLY A 37 8.886 -6.240 1.300 1.00 1.00 H new ATOM 0 HA3 GLY A 37 8.343 -7.703 2.097 1.00 1.00 H new ATOM 562 N VAL A 38 6.727 -5.046 3.023 1.00 1.00 N ATOM 563 CA VAL A 38 5.491 -4.326 3.068 1.00 1.00 C ATOM 564 C VAL A 38 5.846 -2.896 2.849 1.00 1.00 C ATOM 565 O VAL A 38 6.753 -2.381 3.500 1.00 1.00 O ATOM 566 CB VAL A 38 4.873 -4.465 4.428 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.572 -3.654 4.543 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.599 -5.948 4.730 1.00 1.00 C ATOM 0 H VAL A 38 7.418 -4.687 3.682 1.00 1.00 H new ATOM 0 HA VAL A 38 4.786 -4.698 2.324 1.00 1.00 H new ATOM 0 HB VAL A 38 5.578 -4.069 5.159 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.153 -3.779 5.541 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.784 -2.599 4.368 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.856 -4.008 3.802 1.00 1.00 H new ATOM 0 HG21 VAL A 38 4.150 -6.041 5.719 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.916 -6.351 3.982 1.00 1.00 H new ATOM 0 HG23 VAL A 38 5.536 -6.504 4.703 1.00 1.00 H new ATOM 578 N LEU A 39 5.155 -2.182 1.942 1.00 1.00 N ATOM 579 CA LEU A 39 5.219 -0.754 1.874 1.00 1.00 C ATOM 580 C LEU A 39 3.994 -0.169 2.486 1.00 1.00 C ATOM 581 O LEU A 39 2.862 -0.563 2.208 1.00 1.00 O ATOM 582 CB LEU A 39 5.367 -0.240 0.432 1.00 1.00 C ATOM 583 CG LEU A 39 6.773 -0.408 -0.168 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.779 -0.250 -1.697 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.764 0.624 0.399 1.00 1.00 C ATOM 0 H LEU A 39 4.542 -2.603 1.244 1.00 1.00 H new ATOM 0 HA LEU A 39 6.106 -0.442 2.425 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.651 -0.764 -0.201 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.100 0.817 0.408 1.00 1.00 H new ATOM 0 HG LEU A 39 7.078 -1.419 0.102 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.795 -0.377 -2.072 1.00 1.00 H new ATOM 0 HD12 LEU A 39 6.130 -1.004 -2.143 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.417 0.743 -1.962 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.745 0.471 -0.050 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.413 1.630 0.170 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.837 0.503 1.480 1.00 1.00 H new ATOM 597 N THR A 40 4.198 0.829 3.364 1.00 1.00 N ATOM 598 CA THR A 40 3.181 1.653 3.941 1.00 1.00 C ATOM 599 C THR A 40 3.464 3.051 3.507 1.00 1.00 C ATOM 600 O THR A 40 4.551 3.589 3.706 1.00 1.00 O ATOM 601 CB THR A 40 3.107 1.659 5.439 1.00 1.00 C ATOM 602 OG1 THR A 40 4.283 1.184 6.075 1.00 1.00 O ATOM 603 CG2 THR A 40 1.978 0.713 5.884 1.00 1.00 C ATOM 0 H THR A 40 5.132 1.076 3.691 1.00 1.00 H new ATOM 0 HA THR A 40 2.229 1.244 3.601 1.00 1.00 H new ATOM 0 HB THR A 40 2.949 2.699 5.724 1.00 1.00 H new ATOM 0 HG1 THR A 40 4.410 1.657 6.924 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.914 0.709 6.972 1.00 1.00 H new ATOM 0 HG22 THR A 40 1.031 1.055 5.466 1.00 1.00 H new ATOM 0 HG23 THR A 40 2.188 -0.296 5.529 1.00 1.00 H new ATOM 611 N ILE A 41 2.469 3.701 2.877 1.00 1.00 N ATOM 612 CA ILE A 41 2.651 4.993 2.293 1.00 1.00 C ATOM 613 C ILE A 41 2.073 6.012 3.215 1.00 1.00 C ATOM 614 O ILE A 41 0.893 5.918 3.551 1.00 1.00 O ATOM 615 CB ILE A 41 2.023 5.080 0.933 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.597 4.006 -0.006 1.00 1.00 C ATOM 617 CG2 ILE A 41 2.141 6.498 0.349 1.00 1.00 C ATOM 618 CD1 ILE A 41 1.805 3.818 -1.300 1.00 1.00 C ATOM 0 H ILE A 41 1.527 3.325 2.772 1.00 1.00 H new ATOM 0 HA ILE A 41 3.716 5.178 2.155 1.00 1.00 H new ATOM 0 HB ILE A 41 0.957 4.877 1.036 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.624 4.270 -0.257 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.633 3.055 0.526 1.00 1.00 H new ATOM 0 HG21 ILE A 41 1.676 6.525 -0.636 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.638 7.206 1.008 1.00 1.00 H new ATOM 0 HG23 ILE A 41 3.193 6.769 0.261 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.276 3.043 -1.905 1.00 1.00 H new ATOM 0 HD12 ILE A 41 0.784 3.522 -1.062 1.00 1.00 H new ATOM 0 HD13 ILE A 41 1.790 4.755 -1.857 1.00 1.00 H new ATOM 630 N THR A 42 2.882 6.980 3.678 1.00 1.00 N ATOM 631 CA THR A 42 2.462 7.921 4.671 1.00 1.00 C ATOM 632 C THR A 42 2.598 9.345 4.251 1.00 1.00 C ATOM 633 O THR A 42 3.687 9.831 3.952 1.00 1.00 O ATOM 634 CB THR A 42 3.049 7.718 6.036 1.00 1.00 C ATOM 635 OG1 THR A 42 4.416 8.080 6.153 1.00 1.00 O ATOM 636 CG2 THR A 42 2.944 6.243 6.461 1.00 1.00 C ATOM 0 H THR A 42 3.842 7.113 3.359 1.00 1.00 H new ATOM 0 HA THR A 42 1.399 7.699 4.761 1.00 1.00 H new ATOM 0 HB THR A 42 2.464 8.378 6.677 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.840 8.046 5.270 1.00 1.00 H new ATOM 0 HG21 THR A 42 3.376 6.119 7.454 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.896 5.944 6.481 1.00 1.00 H new ATOM 0 HG23 THR A 42 3.486 5.620 5.749 1.00 1.00 H new ATOM 644 N PHE A 43 1.479 10.087 4.188 1.00 1.00 N ATOM 645 CA PHE A 43 1.414 11.489 3.913 1.00 1.00 C ATOM 646 C PHE A 43 0.727 12.284 4.968 1.00 1.00 C ATOM 647 O PHE A 43 0.084 11.743 5.866 1.00 1.00 O ATOM 648 CB PHE A 43 0.814 11.753 2.521 1.00 1.00 C ATOM 649 CG PHE A 43 -0.301 10.815 2.205 1.00 1.00 C ATOM 650 CD1 PHE A 43 -1.521 10.953 2.826 1.00 1.00 C ATOM 651 CD2 PHE A 43 -0.095 9.765 1.343 1.00 1.00 C ATOM 652 CE1 PHE A 43 -2.514 10.025 2.614 1.00 1.00 C ATOM 653 CE2 PHE A 43 -1.084 8.834 1.127 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.293 8.962 1.771 1.00 1.00 C ATOM 0 H PHE A 43 0.557 9.679 4.340 1.00 1.00 H new ATOM 0 HA PHE A 43 2.446 11.841 3.918 1.00 1.00 H new ATOM 0 HB2 PHE A 43 0.449 12.779 2.472 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.594 11.656 1.766 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -1.700 11.792 3.482 1.00 1.00 H new ATOM 0 HD2 PHE A 43 0.851 9.670 0.831 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -3.467 10.132 3.110 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -0.912 8.006 0.455 1.00 1.00 H new ATOM 0 HZ PHE A 43 -3.069 8.227 1.614 1.00 1.00 H new ATOM 664 N GLU A 44 0.810 13.624 4.885 1.00 1.00 N ATOM 665 CA GLU A 44 0.336 14.594 5.823 1.00 1.00 C ATOM 666 C GLU A 44 -1.090 14.521 6.249 1.00 1.00 C ATOM 667 O GLU A 44 -1.394 14.824 7.401 1.00 1.00 O ATOM 668 CB GLU A 44 0.537 16.000 5.231 1.00 1.00 C ATOM 669 CG GLU A 44 1.987 16.485 5.275 1.00 1.00 C ATOM 670 CD GLU A 44 2.295 17.281 6.536 1.00 1.00 C ATOM 671 OE1 GLU A 44 1.685 18.363 6.749 1.00 1.00 O ATOM 672 OE2 GLU A 44 3.189 16.857 7.317 1.00 1.00 O ATOM 0 H GLU A 44 1.253 14.069 4.081 1.00 1.00 H new ATOM 0 HA GLU A 44 0.921 14.373 6.716 1.00 1.00 H new ATOM 0 HB2 GLU A 44 0.194 16.001 4.196 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -0.090 16.707 5.775 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.656 15.627 5.218 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.187 17.104 4.400 1.00 1.00 H new ATOM 679 N ASN A 45 -2.028 14.089 5.387 1.00 1.00 N ATOM 680 CA ASN A 45 -3.415 13.998 5.723 1.00 1.00 C ATOM 681 C ASN A 45 -3.710 12.967 6.758 1.00 1.00 C ATOM 682 O ASN A 45 -4.787 12.958 7.348 1.00 1.00 O ATOM 683 CB ASN A 45 -4.269 13.738 4.471 1.00 1.00 C ATOM 684 CG ASN A 45 -5.592 14.491 4.513 1.00 1.00 C ATOM 685 OD1 ASN A 45 -6.671 13.922 4.667 1.00 1.00 O ATOM 686 ND2 ASN A 45 -5.518 15.840 4.354 1.00 1.00 N ATOM 0 H ASN A 45 -1.817 13.796 4.433 1.00 1.00 H new ATOM 0 HA ASN A 45 -3.678 14.965 6.153 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.711 14.036 3.584 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.463 12.669 4.381 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.369 16.402 4.361 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -4.611 16.290 4.228 1.00 1.00 H new ATOM 693 N GLY A 46 -2.749 12.075 7.064 1.00 1.00 N ATOM 694 CA GLY A 46 -2.789 11.232 8.218 1.00 1.00 C ATOM 695 C GLY A 46 -3.224 9.839 7.919 1.00 1.00 C ATOM 696 O GLY A 46 -3.051 8.932 8.732 1.00 1.00 O ATOM 0 H GLY A 46 -1.918 11.937 6.489 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.799 11.206 8.674 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -3.467 11.666 8.953 1.00 1.00 H new ATOM 700 N SER A 47 -3.797 9.618 6.723 1.00 1.00 N ATOM 701 CA SER A 47 -4.215 8.336 6.247 1.00 1.00 C ATOM 702 C SER A 47 -3.059 7.519 5.779 1.00 1.00 C ATOM 703 O SER A 47 -1.945 8.023 5.647 1.00 1.00 O ATOM 704 CB SER A 47 -5.212 8.461 5.084 1.00 1.00 C ATOM 705 OG SER A 47 -6.191 9.453 5.357 1.00 1.00 O ATOM 0 H SER A 47 -3.977 10.369 6.056 1.00 1.00 H new ATOM 0 HA SER A 47 -4.695 7.843 7.092 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.678 8.714 4.168 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.700 7.501 4.913 1.00 1.00 H new ATOM 0 HG SER A 47 -6.605 9.744 4.518 1.00 1.00 H new ATOM 711 N LYS A 48 -3.265 6.216 5.521 1.00 1.00 N ATOM 712 CA LYS A 48 -2.175 5.338 5.228 1.00 1.00 C ATOM 713 C LYS A 48 -2.554 4.338 4.191 1.00 1.00 C ATOM 714 O LYS A 48 -3.616 3.721 4.254 1.00 1.00 O ATOM 715 CB LYS A 48 -1.685 4.551 6.455 1.00 1.00 C ATOM 716 CG LYS A 48 -0.998 5.401 7.527 1.00 1.00 C ATOM 717 CD LYS A 48 -0.298 4.532 8.574 1.00 1.00 C ATOM 718 CE LYS A 48 0.486 5.344 9.606 1.00 1.00 C ATOM 719 NZ LYS A 48 1.194 4.444 10.543 1.00 1.00 N ATOM 0 H LYS A 48 -4.183 5.771 5.515 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.375 5.990 4.877 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -2.536 4.040 6.906 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -0.990 3.780 6.122 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -0.270 6.062 7.056 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -1.736 6.037 8.016 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -1.042 3.925 9.089 1.00 1.00 H new ATOM 0 HD3 LYS A 48 0.381 3.844 8.070 1.00 1.00 H new ATOM 0 HE2 LYS A 48 1.204 5.990 9.100 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -0.193 5.993 10.159 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 1.721 5.011 11.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 0.503 3.845 11.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 1.856 3.842 10.013 1.00 1.00 H new ATOM 733 N ILE A 49 -1.672 4.107 3.204 1.00 1.00 N ATOM 734 CA ILE A 49 -1.884 3.106 2.204 1.00 1.00 C ATOM 735 C ILE A 49 -1.043 1.943 2.605 1.00 1.00 C ATOM 736 O ILE A 49 0.094 2.137 3.031 1.00 1.00 O ATOM 737 CB ILE A 49 -1.451 3.525 0.830 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.723 5.014 0.560 1.00 1.00 C ATOM 739 CG2 ILE A 49 -2.045 2.607 -0.250 1.00 1.00 C ATOM 740 CD1 ILE A 49 -3.142 5.509 0.837 1.00 1.00 C ATOM 0 H ILE A 49 -0.798 4.622 3.097 1.00 1.00 H new ATOM 0 HA ILE A 49 -2.952 2.894 2.148 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.368 3.408 0.782 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -1.032 5.602 1.165 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.488 5.220 -0.484 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.711 2.939 -1.233 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.712 1.583 -0.080 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -3.133 2.647 -0.204 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -3.207 6.573 0.609 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.847 4.960 0.213 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.385 5.348 1.887 1.00 1.00 H new ATOM 752 N ILE A 50 -1.549 0.700 2.512 1.00 1.00 N ATOM 753 CA ILE A 50 -0.835 -0.463 2.938 1.00 1.00 C ATOM 754 C ILE A 50 -0.815 -1.469 1.841 1.00 1.00 C ATOM 755 O ILE A 50 -1.830 -1.843 1.254 1.00 1.00 O ATOM 756 CB ILE A 50 -1.349 -0.909 4.276 1.00 1.00 C ATOM 757 CG1 ILE A 50 -0.862 -2.317 4.655 1.00 1.00 C ATOM 758 CG2 ILE A 50 -2.879 -0.821 4.421 1.00 1.00 C ATOM 759 CD1 ILE A 50 0.640 -2.333 4.934 1.00 1.00 C ATOM 0 H ILE A 50 -2.474 0.499 2.133 1.00 1.00 H new ATOM 0 HA ILE A 50 0.220 -0.260 3.121 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.922 -0.193 4.978 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -1.401 -2.665 5.537 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -1.091 -3.012 3.847 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -3.170 -1.161 5.415 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -3.199 0.212 4.282 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -3.353 -1.452 3.669 1.00 1.00 H new ATOM 0 HD11 ILE A 50 0.950 -3.344 5.199 1.00 1.00 H new ATOM 0 HD12 ILE A 50 1.179 -2.010 4.043 1.00 1.00 H new ATOM 0 HD13 ILE A 50 0.864 -1.657 5.759 1.00 1.00 H new ATOM 771 N ILE A 51 0.406 -1.897 1.472 1.00 1.00 N ATOM 772 CA ILE A 51 0.706 -2.743 0.360 1.00 1.00 C ATOM 773 C ILE A 51 1.524 -3.922 0.763 1.00 1.00 C ATOM 774 O ILE A 51 2.656 -3.812 1.232 1.00 1.00 O ATOM 775 CB ILE A 51 1.405 -2.003 -0.741 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.607 -0.716 -1.013 1.00 1.00 C ATOM 777 CG2 ILE A 51 1.552 -2.908 -1.977 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.767 -0.145 -2.422 1.00 1.00 C ATOM 0 H ILE A 51 1.243 -1.631 1.990 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.255 -3.095 -0.015 1.00 1.00 H new ATOM 0 HB ILE A 51 2.420 -1.723 -0.460 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.450 -0.917 -0.836 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.912 0.043 -0.292 1.00 1.00 H new ATOM 0 HG21 ILE A 51 2.061 -2.361 -2.770 1.00 1.00 H new ATOM 0 HG22 ILE A 51 2.134 -3.791 -1.714 1.00 1.00 H new ATOM 0 HG23 ILE A 51 0.565 -3.214 -2.323 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.168 0.760 -2.518 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.815 0.093 -2.601 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.432 -0.881 -3.153 1.00 1.00 H new ATOM 790 N ASN A 52 0.950 -5.122 0.563 1.00 1.00 N ATOM 791 CA ASN A 52 1.479 -6.401 0.925 1.00 1.00 C ATOM 792 C ASN A 52 0.821 -7.425 0.067 1.00 1.00 C ATOM 793 O ASN A 52 -0.091 -7.156 -0.714 1.00 1.00 O ATOM 794 CB ASN A 52 1.267 -6.640 2.429 1.00 1.00 C ATOM 795 CG ASN A 52 1.822 -7.939 2.993 1.00 1.00 C ATOM 796 OD1 ASN A 52 2.901 -8.411 2.640 1.00 1.00 O ATOM 797 ND2 ASN A 52 1.049 -8.556 3.925 1.00 1.00 N ATOM 0 H ASN A 52 0.040 -5.203 0.110 1.00 1.00 H new ATOM 0 HA ASN A 52 2.554 -6.459 0.756 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.719 -5.811 2.974 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.197 -6.609 2.632 1.00 1.00 H new ATOM 0 HD21 ASN A 52 1.360 -9.430 4.348 1.00 1.00 H new ATOM 0 HD22 ASN A 52 0.158 -8.145 4.202 1.00 1.00 H new ATOM 804 N ARG A 53 1.336 -8.665 0.154 1.00 1.00 N ATOM 805 CA ARG A 53 1.054 -9.750 -0.733 1.00 1.00 C ATOM 806 C ARG A 53 0.827 -11.058 -0.058 1.00 1.00 C ATOM 807 O ARG A 53 1.167 -11.287 1.102 1.00 1.00 O ATOM 808 CB ARG A 53 2.261 -9.816 -1.685 1.00 1.00 C ATOM 809 CG ARG A 53 3.616 -10.144 -1.055 1.00 1.00 C ATOM 810 CD ARG A 53 4.111 -11.547 -1.415 1.00 1.00 C ATOM 811 NE ARG A 53 5.487 -11.721 -0.871 1.00 1.00 N ATOM 812 CZ ARG A 53 6.638 -11.452 -1.555 1.00 1.00 C ATOM 813 NH1 ARG A 53 6.663 -10.838 -2.774 1.00 1.00 N ATOM 814 NH2 ARG A 53 7.812 -11.842 -0.980 1.00 1.00 N ATOM 0 H ARG A 53 1.991 -8.925 0.891 1.00 1.00 H new ATOM 0 HA ARG A 53 0.112 -9.566 -1.250 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.051 -10.564 -2.449 1.00 1.00 H new ATOM 0 HB3 ARG A 53 2.346 -8.856 -2.194 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.351 -9.409 -1.382 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.539 -10.057 0.029 1.00 1.00 H new ATOM 0 HD2 ARG A 53 3.442 -12.302 -1.001 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.112 -11.682 -2.497 1.00 1.00 H new ATOM 0 HE ARG A 53 5.576 -12.067 0.084 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.791 -10.555 -3.220 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.554 -10.663 -3.238 1.00 1.00 H new ATOM 0 HH21 ARG A 53 7.805 -12.314 -0.076 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.697 -11.662 -1.454 1.00 1.00 H new ATOM 828 N GLN A 54 0.185 -11.966 -0.815 1.00 1.00 N ATOM 829 CA GLN A 54 0.022 -13.352 -0.507 1.00 1.00 C ATOM 830 C GLN A 54 0.908 -14.102 -1.440 1.00 1.00 C ATOM 831 O GLN A 54 0.875 -13.905 -2.654 1.00 1.00 O ATOM 832 CB GLN A 54 -1.440 -13.739 -0.788 1.00 1.00 C ATOM 833 CG GLN A 54 -2.425 -13.331 0.311 1.00 1.00 C ATOM 834 CD GLN A 54 -2.220 -14.178 1.559 1.00 1.00 C ATOM 835 OE1 GLN A 54 -1.504 -13.802 2.486 1.00 1.00 O ATOM 836 NE2 GLN A 54 -2.852 -15.381 1.589 1.00 1.00 N ATOM 0 H GLN A 54 -0.249 -11.713 -1.703 1.00 1.00 H new ATOM 0 HA GLN A 54 0.267 -13.570 0.533 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -1.751 -13.280 -1.726 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -1.497 -14.819 -0.927 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -2.290 -12.277 0.554 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -3.447 -13.446 -0.049 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -3.440 -15.668 0.806 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -2.738 -15.997 2.394 1.00 1.00 H new ATOM 845 N GLU A 55 1.745 -15.006 -0.900 1.00 1.00 N ATOM 846 CA GLU A 55 2.424 -16.023 -1.638 1.00 1.00 C ATOM 847 C GLU A 55 1.525 -16.983 -2.340 1.00 1.00 C ATOM 848 O GLU A 55 1.859 -17.342 -3.468 1.00 1.00 O ATOM 849 CB GLU A 55 3.482 -16.745 -0.786 1.00 1.00 C ATOM 850 CG GLU A 55 4.256 -17.851 -1.506 1.00 1.00 C ATOM 851 CD GLU A 55 5.266 -18.571 -0.622 1.00 1.00 C ATOM 852 OE1 GLU A 55 4.903 -18.959 0.519 1.00 1.00 O ATOM 853 OE2 GLU A 55 6.406 -18.820 -1.097 1.00 1.00 O ATOM 0 H GLU A 55 1.957 -15.028 0.097 1.00 1.00 H new ATOM 0 HA GLU A 55 2.943 -15.490 -2.435 1.00 1.00 H new ATOM 0 HB2 GLU A 55 4.194 -16.006 -0.417 1.00 1.00 H new ATOM 0 HB3 GLU A 55 2.990 -17.176 0.086 1.00 1.00 H new ATOM 0 HG2 GLU A 55 3.548 -18.580 -1.900 1.00 1.00 H new ATOM 0 HG3 GLU A 55 4.778 -17.419 -2.360 1.00 1.00 H new ATOM 860 N PRO A 56 0.407 -17.441 -1.863 1.00 1.00 N ATOM 861 CA PRO A 56 -0.606 -18.023 -2.695 1.00 1.00 C ATOM 862 C PRO A 56 -1.245 -17.054 -3.629 1.00 1.00 C ATOM 863 O PRO A 56 -1.836 -16.081 -3.164 1.00 1.00 O ATOM 864 CB PRO A 56 -1.639 -18.596 -1.727 1.00 1.00 C ATOM 865 CG PRO A 56 -0.839 -18.851 -0.441 1.00 1.00 C ATOM 866 CD PRO A 56 0.134 -17.661 -0.451 1.00 1.00 C ATOM 0 HA PRO A 56 -0.164 -18.778 -3.345 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -2.457 -17.897 -1.556 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -2.080 -19.515 -2.112 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -1.475 -18.855 0.445 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -0.318 -19.808 -0.464 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -0.309 -16.779 0.012 1.00 1.00 H new ATOM 0 HD3 PRO A 56 1.046 -17.887 0.101 1.00 1.00 H new ATOM 874 N LEU A 57 -1.182 -17.308 -4.949 1.00 1.00 N ATOM 875 CA LEU A 57 -1.714 -16.494 -5.998 1.00 1.00 C ATOM 876 C LEU A 57 -0.954 -15.255 -6.323 1.00 1.00 C ATOM 877 O LEU A 57 -0.523 -14.455 -5.494 1.00 1.00 O ATOM 878 CB LEU A 57 -3.236 -16.269 -5.987 1.00 1.00 C ATOM 879 CG LEU A 57 -4.046 -17.561 -6.188 1.00 1.00 C ATOM 880 CD1 LEU A 57 -4.461 -18.216 -4.859 1.00 1.00 C ATOM 881 CD2 LEU A 57 -5.292 -17.296 -7.048 1.00 1.00 C ATOM 0 H LEU A 57 -0.724 -18.146 -5.308 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.540 -17.157 -6.845 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -3.522 -15.814 -5.039 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -3.497 -15.560 -6.772 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.387 -18.259 -6.705 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -5.030 -19.123 -5.063 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -3.570 -18.468 -4.284 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -5.078 -17.522 -4.288 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.849 -18.224 -7.177 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.925 -16.558 -6.554 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -4.987 -16.918 -8.024 1.00 1.00 H new ATOM 893 N HIS A 58 -0.721 -15.071 -7.634 1.00 1.00 N ATOM 894 CA HIS A 58 0.102 -14.057 -8.214 1.00 1.00 C ATOM 895 C HIS A 58 -0.556 -12.724 -8.319 1.00 1.00 C ATOM 896 O HIS A 58 -0.636 -12.143 -9.401 1.00 1.00 O ATOM 897 CB HIS A 58 0.569 -14.523 -9.605 1.00 1.00 C ATOM 898 CG HIS A 58 1.225 -15.867 -9.480 1.00 1.00 C ATOM 899 ND1 HIS A 58 0.828 -16.950 -10.221 1.00 1.00 N ATOM 900 CD2 HIS A 58 2.156 -16.316 -8.596 1.00 1.00 C ATOM 901 CE1 HIS A 58 1.483 -18.016 -9.798 1.00 1.00 C ATOM 902 NE2 HIS A 58 2.294 -17.662 -8.818 1.00 1.00 N ATOM 0 H HIS A 58 -1.140 -15.677 -8.340 1.00 1.00 H new ATOM 0 HA HIS A 58 0.948 -13.917 -7.541 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -0.280 -14.581 -10.286 1.00 1.00 H new ATOM 0 HB3 HIS A 58 1.268 -13.802 -10.028 1.00 1.00 H new ATOM 0 HD2 HIS A 58 2.684 -15.726 -7.861 1.00 1.00 H new ATOM 0 HE1 HIS A 58 1.373 -19.016 -10.190 1.00 1.00 H new ATOM 0 HE2 HIS A 58 2.920 -18.287 -8.310 1.00 1.00 H new ATOM 910 N GLN A 59 -1.053 -12.167 -7.199 1.00 1.00 N ATOM 911 CA GLN A 59 -1.744 -10.918 -7.114 1.00 1.00 C ATOM 912 C GLN A 59 -1.403 -10.218 -5.845 1.00 1.00 C ATOM 913 O GLN A 59 -1.156 -10.838 -4.812 1.00 1.00 O ATOM 914 CB GLN A 59 -3.271 -11.082 -7.209 1.00 1.00 C ATOM 915 CG GLN A 59 -3.882 -12.208 -6.372 1.00 1.00 C ATOM 916 CD GLN A 59 -4.711 -13.144 -7.239 1.00 1.00 C ATOM 917 OE1 GLN A 59 -4.235 -13.705 -8.225 1.00 1.00 O ATOM 918 NE2 GLN A 59 -6.001 -13.355 -6.866 1.00 1.00 N ATOM 0 H GLN A 59 -0.965 -12.623 -6.291 1.00 1.00 H new ATOM 0 HA GLN A 59 -1.417 -10.323 -7.967 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.736 -10.142 -6.911 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -3.533 -11.250 -8.253 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -3.089 -12.770 -5.879 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -4.508 -11.784 -5.587 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -6.379 -12.881 -6.045 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -6.591 -13.987 -7.407 1.00 1.00 H new ATOM 927 N VAL A 60 -1.371 -8.872 -5.858 1.00 1.00 N ATOM 928 CA VAL A 60 -0.965 -8.086 -4.734 1.00 1.00 C ATOM 929 C VAL A 60 -2.076 -7.177 -4.337 1.00 1.00 C ATOM 930 O VAL A 60 -2.871 -6.781 -5.188 1.00 1.00 O ATOM 931 CB VAL A 60 0.282 -7.300 -5.003 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.805 -6.519 -3.783 1.00 1.00 C ATOM 933 CG2 VAL A 60 1.396 -8.260 -5.449 1.00 1.00 C ATOM 0 H VAL A 60 -1.634 -8.316 -6.672 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.734 -8.770 -3.917 1.00 1.00 H new ATOM 0 HB VAL A 60 0.020 -6.574 -5.773 1.00 1.00 H new ATOM 0 HG11 VAL A 60 1.709 -5.976 -4.059 1.00 1.00 H new ATOM 0 HG12 VAL A 60 0.045 -5.812 -3.450 1.00 1.00 H new ATOM 0 HG13 VAL A 60 1.032 -7.215 -2.975 1.00 1.00 H new ATOM 0 HG21 VAL A 60 2.306 -7.694 -5.646 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.585 -8.989 -4.661 1.00 1.00 H new ATOM 0 HG23 VAL A 60 1.087 -8.779 -6.357 1.00 1.00 H new ATOM 943 N TRP A 61 -2.214 -6.777 -3.060 1.00 1.00 N ATOM 944 CA TRP A 61 -3.296 -5.929 -2.667 1.00 1.00 C ATOM 945 C TRP A 61 -3.013 -4.470 -2.784 1.00 1.00 C ATOM 946 O TRP A 61 -1.871 -4.020 -2.717 1.00 1.00 O ATOM 947 CB TRP A 61 -3.907 -6.307 -1.307 1.00 1.00 C ATOM 948 CG TRP A 61 -3.337 -5.786 -0.010 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.155 -5.145 0.225 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.048 -5.776 1.243 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.086 -4.725 1.527 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.231 -5.126 2.174 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.279 -6.253 1.599 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -3.642 -4.962 3.469 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -5.682 -6.084 2.902 1.00 1.00 C ATOM 956 CH2 TRP A 61 -4.878 -5.453 3.822 1.00 1.00 C ATOM 0 H TRP A 61 -1.581 -7.039 -2.304 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.067 -6.125 -3.412 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.954 -6.005 -1.336 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.891 -7.395 -1.245 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.382 -4.990 -0.513 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.316 -4.203 1.946 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -5.915 -6.747 0.879 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -3.015 -4.462 4.192 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.649 -6.454 3.209 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.223 -5.341 4.839 1.00 1.00 H new ATOM 967 N LEU A 62 -4.066 -3.657 -2.984 1.00 1.00 N ATOM 968 CA LEU A 62 -4.030 -2.245 -2.760 1.00 1.00 C ATOM 969 C LEU A 62 -4.994 -1.964 -1.658 1.00 1.00 C ATOM 970 O LEU A 62 -6.191 -1.799 -1.889 1.00 1.00 O ATOM 971 CB LEU A 62 -4.463 -1.433 -3.993 1.00 1.00 C ATOM 972 CG LEU A 62 -3.477 -1.434 -5.173 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.087 -0.695 -6.376 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.127 -0.796 -4.808 1.00 1.00 C ATOM 0 H LEU A 62 -4.971 -3.993 -3.312 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.006 -1.954 -2.525 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -5.420 -1.821 -4.343 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.631 -0.401 -3.685 1.00 1.00 H new ATOM 0 HG LEU A 62 -3.291 -2.476 -5.432 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.379 -0.703 -7.205 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.008 -1.193 -6.680 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.307 0.335 -6.097 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -1.466 -0.821 -5.675 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.284 0.238 -4.502 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -1.672 -1.352 -3.988 1.00 1.00 H new ATOM 986 N ALA A 63 -4.532 -1.912 -0.396 1.00 1.00 N ATOM 987 CA ALA A 63 -5.349 -1.422 0.671 1.00 1.00 C ATOM 988 C ALA A 63 -5.106 0.034 0.867 1.00 1.00 C ATOM 989 O ALA A 63 -4.112 0.481 1.435 1.00 1.00 O ATOM 990 CB ALA A 63 -5.151 -2.261 1.944 1.00 1.00 C ATOM 0 H ALA A 63 -3.597 -2.208 -0.115 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.402 -1.531 0.410 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -5.783 -1.868 2.741 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -5.423 -3.297 1.743 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -4.107 -2.213 2.253 1.00 1.00 H new ATOM 996 N THR A 64 -6.031 0.844 0.318 1.00 1.00 N ATOM 997 CA THR A 64 -5.942 2.267 0.225 1.00 1.00 C ATOM 998 C THR A 64 -6.977 2.821 1.141 1.00 1.00 C ATOM 999 O THR A 64 -6.906 2.637 2.355 1.00 1.00 O ATOM 1000 CB THR A 64 -6.094 2.747 -1.189 1.00 1.00 C ATOM 1001 OG1 THR A 64 -5.424 1.905 -2.116 1.00 1.00 O ATOM 1002 CG2 THR A 64 -5.502 4.151 -1.395 1.00 1.00 C ATOM 0 H THR A 64 -6.894 0.480 -0.085 1.00 1.00 H new ATOM 0 HA THR A 64 -4.955 2.617 0.526 1.00 1.00 H new ATOM 0 HB THR A 64 -7.170 2.746 -1.364 1.00 1.00 H new ATOM 0 HG1 THR A 64 -5.550 2.252 -3.024 1.00 1.00 H new ATOM 0 HG21 THR A 64 -5.636 4.454 -2.433 1.00 1.00 H new ATOM 0 HG22 THR A 64 -6.011 4.860 -0.742 1.00 1.00 H new ATOM 0 HG23 THR A 64 -4.439 4.136 -1.156 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.023 3.493 0.628 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.110 3.950 1.437 1.00 1.00 C ATOM 1012 C LYS A 65 -10.101 2.860 1.666 1.00 1.00 C ATOM 1013 O LYS A 65 -10.587 2.647 2.775 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.776 5.176 0.791 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.536 6.040 1.802 1.00 1.00 C ATOM 1016 CD LYS A 65 -12.016 5.671 1.907 1.00 1.00 C ATOM 1017 CE LYS A 65 -12.792 6.519 2.918 1.00 1.00 C ATOM 1018 NZ LYS A 65 -14.214 6.112 2.932 1.00 1.00 N ATOM 0 H LYS A 65 -8.116 3.722 -0.362 1.00 1.00 H new ATOM 0 HA LYS A 65 -8.716 4.246 2.409 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.014 5.783 0.302 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.465 4.843 0.014 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -10.071 5.937 2.782 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.448 7.088 1.516 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.478 5.778 0.926 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -12.100 4.621 2.186 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -12.361 6.400 3.912 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -12.710 7.575 2.659 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -14.734 6.692 3.621 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -14.623 6.248 1.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -14.286 5.110 3.200 1.00 1.00 H new ATOM 1032 N GLN A 66 -10.459 2.132 0.594 1.00 1.00 N ATOM 1033 CA GLN A 66 -11.584 1.250 0.577 1.00 1.00 C ATOM 1034 C GLN A 66 -11.420 -0.037 1.313 1.00 1.00 C ATOM 1035 O GLN A 66 -12.389 -0.577 1.844 1.00 1.00 O ATOM 1036 CB GLN A 66 -11.883 0.902 -0.890 1.00 1.00 C ATOM 1037 CG GLN A 66 -12.070 2.093 -1.831 1.00 1.00 C ATOM 1038 CD GLN A 66 -10.811 2.465 -2.602 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -9.680 2.318 -2.142 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -11.000 2.974 -3.848 1.00 1.00 N ATOM 0 H GLN A 66 -9.949 2.158 -0.289 1.00 1.00 H new ATOM 0 HA GLN A 66 -12.383 1.787 1.088 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -11.068 0.286 -1.271 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -12.786 0.292 -0.922 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -12.866 1.864 -2.540 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -12.399 2.955 -1.251 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -11.945 3.089 -4.214 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -10.197 3.241 -4.417 1.00 1.00 H new ATOM 1049 N GLY A 67 -10.178 -0.537 1.447 1.00 1.00 N ATOM 1050 CA GLY A 67 -9.847 -1.588 2.358 1.00 1.00 C ATOM 1051 C GLY A 67 -9.337 -2.860 1.772 1.00 1.00 C ATOM 1052 O GLY A 67 -9.448 -3.911 2.402 1.00 1.00 O ATOM 0 H GLY A 67 -9.382 -0.200 0.906 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -9.096 -1.210 3.052 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -10.736 -1.819 2.945 1.00 1.00 H new ATOM 1056 N GLY A 68 -8.715 -2.839 0.580 1.00 1.00 N ATOM 1057 CA GLY A 68 -7.939 -3.944 0.110 1.00 1.00 C ATOM 1058 C GLY A 68 -8.455 -4.624 -1.111 1.00 1.00 C ATOM 1059 O GLY A 68 -8.949 -5.749 -1.058 1.00 1.00 O ATOM 0 H GLY A 68 -8.750 -2.049 -0.064 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -6.927 -3.593 -0.092 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -7.867 -4.680 0.911 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.284 -3.970 -2.275 1.00 1.00 N ATOM 1064 CA TYR A 69 -8.692 -4.506 -3.536 1.00 1.00 C ATOM 1065 C TYR A 69 -7.464 -5.019 -4.205 1.00 1.00 C ATOM 1066 O TYR A 69 -6.525 -4.270 -4.468 1.00 1.00 O ATOM 1067 CB TYR A 69 -9.387 -3.426 -4.380 1.00 1.00 C ATOM 1068 CG TYR A 69 -10.622 -2.838 -3.788 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.334 -3.394 -2.750 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.097 -1.679 -4.353 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -12.497 -2.817 -2.297 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -12.268 -1.099 -3.923 1.00 1.00 C ATOM 1073 CZ TYR A 69 -12.984 -1.684 -2.905 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.221 -1.163 -2.469 1.00 1.00 O ATOM 0 H TYR A 69 -7.852 -3.048 -2.340 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.415 -5.312 -3.408 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -8.676 -2.621 -4.564 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.640 -3.855 -5.349 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -10.973 -4.299 -2.283 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -10.539 -1.213 -5.152 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -13.028 -3.254 -1.464 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -12.623 -0.189 -4.383 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.439 -0.361 -2.988 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.363 -6.335 -4.466 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.212 -6.907 -5.092 1.00 1.00 C ATOM 1086 C HIS A 70 -6.203 -6.773 -6.577 1.00 1.00 C ATOM 1087 O HIS A 70 -7.239 -6.578 -7.211 1.00 1.00 O ATOM 1088 CB HIS A 70 -5.941 -8.366 -4.687 1.00 1.00 C ATOM 1089 CG HIS A 70 -6.898 -9.396 -5.210 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -8.026 -9.761 -4.523 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -6.857 -10.164 -6.330 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -8.644 -10.721 -5.185 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -7.953 -10.985 -6.278 1.00 1.00 N ATOM 0 H HIS A 70 -8.091 -7.012 -4.239 1.00 1.00 H new ATOM 0 HA HIS A 70 -5.392 -6.303 -4.704 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -4.938 -8.632 -5.021 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -5.940 -8.423 -3.598 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -6.108 -10.133 -7.108 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -9.560 -11.208 -4.884 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -8.196 -11.689 -6.974 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.001 -6.848 -7.176 1.00 1.00 N ATOM 1102 CA PHE A 71 -4.841 -6.656 -8.584 1.00 1.00 C ATOM 1103 C PHE A 71 -4.349 -7.870 -9.294 1.00 1.00 C ATOM 1104 O PHE A 71 -3.358 -8.482 -8.898 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.074 -5.356 -8.882 1.00 1.00 C ATOM 1106 CG PHE A 71 -2.589 -5.249 -8.828 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -1.742 -6.108 -8.166 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.034 -4.244 -9.585 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -0.382 -6.034 -8.342 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -0.675 -4.159 -9.773 1.00 1.00 C ATOM 1111 CZ PHE A 71 0.156 -5.063 -9.154 1.00 1.00 C ATOM 0 H PHE A 71 -4.132 -7.044 -6.679 1.00 1.00 H new ATOM 0 HA PHE A 71 -5.831 -6.512 -9.018 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.368 -5.049 -9.886 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -4.461 -4.606 -8.193 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -2.153 -6.851 -7.498 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -2.679 -3.507 -10.041 1.00 1.00 H new ATOM 0 HE1 PHE A 71 0.266 -6.739 -7.842 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -0.262 -3.386 -10.404 1.00 1.00 H new ATOM 0 HZ PHE A 71 1.224 -5.011 -9.304 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.027 -8.264 -10.385 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.587 -9.312 -11.255 1.00 1.00 C ATOM 1123 C ASP A 72 -4.231 -8.685 -12.558 1.00 1.00 C ATOM 1124 O ASP A 72 -4.361 -7.475 -12.743 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.633 -10.410 -11.514 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.205 -11.145 -10.309 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -5.976 -10.788 -9.123 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -6.927 -12.140 -10.584 1.00 1.00 O ATOM 0 H ASP A 72 -5.910 -7.841 -10.672 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.747 -9.805 -10.766 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.464 -9.959 -12.057 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.184 -11.151 -12.176 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.771 -9.455 -13.561 1.00 1.00 N ATOM 1134 CA LEU A 73 -3.307 -8.931 -14.808 1.00 1.00 C ATOM 1135 C LEU A 73 -4.192 -9.318 -15.942 1.00 1.00 C ATOM 1136 O LEU A 73 -4.197 -10.461 -16.396 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.883 -9.459 -15.051 1.00 1.00 C ATOM 1138 CG LEU A 73 -1.112 -8.808 -16.212 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.814 -7.326 -15.927 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.203 -9.565 -16.456 1.00 1.00 C ATOM 0 H LEU A 73 -3.721 -10.472 -13.502 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.315 -7.842 -14.755 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.306 -9.324 -14.136 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.941 -10.532 -15.236 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.737 -8.862 -17.103 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.268 -6.896 -16.767 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.751 -6.786 -15.789 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.211 -7.243 -15.023 1.00 1.00 H new ATOM 0 HD21 LEU A 73 0.744 -9.099 -17.279 1.00 1.00 H new ATOM 0 HD22 LEU A 73 0.815 -9.531 -15.555 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.016 -10.603 -16.707 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.988 -8.382 -16.488 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.689 -8.562 -17.722 1.00 1.00 C ATOM 1154 C LYS A 74 -4.794 -8.566 -18.913 1.00 1.00 C ATOM 1155 O LYS A 74 -4.915 -9.404 -19.805 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.727 -7.432 -17.816 1.00 1.00 C ATOM 1157 CG LYS A 74 -7.573 -7.399 -19.090 1.00 1.00 C ATOM 1158 CD LYS A 74 -8.724 -6.396 -18.994 1.00 1.00 C ATOM 1159 CE LYS A 74 -8.537 -5.071 -19.735 1.00 1.00 C ATOM 1160 NZ LYS A 74 -7.279 -4.381 -19.367 1.00 1.00 N ATOM 0 H LYS A 74 -5.149 -7.471 -16.058 1.00 1.00 H new ATOM 0 HA LYS A 74 -6.164 -9.543 -17.724 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -7.398 -7.511 -16.961 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -6.206 -6.479 -17.726 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -6.939 -7.142 -19.938 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -7.975 -8.394 -19.283 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -9.627 -6.875 -19.374 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -8.898 -6.176 -17.941 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -8.544 -5.256 -20.809 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -9.382 -4.417 -19.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -7.204 -3.490 -19.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -7.280 -4.177 -18.347 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -6.469 -4.991 -19.597 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.841 -7.621 -18.993 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.924 -7.598 -20.090 1.00 1.00 C ATOM 1176 C GLY A 75 -1.817 -6.622 -19.878 1.00 1.00 C ATOM 1177 O GLY A 75 -0.900 -6.863 -19.094 1.00 1.00 O ATOM 0 H GLY A 75 -3.705 -6.880 -18.306 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -2.505 -8.594 -20.232 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -3.460 -7.344 -21.004 1.00 1.00 H new ATOM 1181 N ASP A 76 -1.869 -5.449 -20.533 1.00 1.00 N ATOM 1182 CA ASP A 76 -0.870 -4.433 -20.405 1.00 1.00 C ATOM 1183 C ASP A 76 -1.186 -3.489 -19.297 1.00 1.00 C ATOM 1184 O ASP A 76 -0.659 -2.379 -19.230 1.00 1.00 O ATOM 1185 CB ASP A 76 -0.787 -3.642 -21.721 1.00 1.00 C ATOM 1186 CG ASP A 76 -0.321 -4.537 -22.861 1.00 1.00 C ATOM 1187 OD1 ASP A 76 0.863 -4.967 -22.872 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -1.134 -4.796 -23.788 1.00 1.00 O ATOM 0 H ASP A 76 -2.626 -5.200 -21.169 1.00 1.00 H new ATOM 0 HA ASP A 76 0.080 -4.919 -20.182 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -1.764 -3.220 -21.959 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -0.098 -2.805 -21.605 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.081 -3.903 -18.382 1.00 1.00 N ATOM 1194 CA GLU A 77 -2.765 -3.063 -17.449 1.00 1.00 C ATOM 1195 C GLU A 77 -3.380 -4.043 -16.509 1.00 1.00 C ATOM 1196 O GLU A 77 -3.856 -5.103 -16.916 1.00 1.00 O ATOM 1197 CB GLU A 77 -3.791 -2.169 -18.166 1.00 1.00 C ATOM 1198 CG GLU A 77 -4.510 -1.150 -17.281 1.00 1.00 C ATOM 1199 CD GLU A 77 -4.842 0.113 -18.063 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -5.538 0.041 -19.111 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -4.368 1.206 -17.653 1.00 1.00 O ATOM 0 H GLU A 77 -2.342 -4.885 -18.289 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.123 -2.354 -16.927 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -3.282 -1.633 -18.967 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -4.539 -2.808 -18.635 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -5.426 -1.589 -16.886 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -3.882 -0.898 -16.426 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.309 -3.752 -15.198 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.799 -4.621 -14.174 1.00 1.00 C ATOM 1210 C TRP A 78 -5.234 -4.310 -13.926 1.00 1.00 C ATOM 1211 O TRP A 78 -5.707 -3.193 -14.129 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.933 -4.606 -12.903 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.493 -5.027 -13.066 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.478 -4.418 -13.748 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.890 -6.136 -12.373 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.705 -5.076 -13.538 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.477 -6.123 -12.676 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.406 -7.074 -11.522 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.323 -7.042 -12.118 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.550 -7.999 -10.970 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.797 -7.966 -11.249 1.00 1.00 C ATOM 0 H TRP A 78 -2.900 -2.889 -14.840 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.727 -5.652 -14.519 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -2.949 -3.597 -12.491 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.398 -5.259 -12.165 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -0.592 -3.540 -14.367 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.604 -4.830 -13.952 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.460 -7.088 -11.289 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.377 -7.041 -12.355 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -0.940 -8.760 -10.310 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.453 -8.681 -10.775 1.00 1.00 H new ATOM 1232 N ILE A 79 -6.029 -5.345 -13.598 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.455 -5.403 -13.515 1.00 1.00 C ATOM 1234 C ILE A 79 -7.738 -5.629 -12.069 1.00 1.00 C ATOM 1235 O ILE A 79 -7.110 -6.448 -11.401 1.00 1.00 O ATOM 1236 CB ILE A 79 -7.904 -6.495 -14.439 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -9.439 -6.595 -14.492 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -7.279 -7.863 -14.117 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -10.045 -7.852 -15.115 1.00 1.00 C ATOM 0 H ILE A 79 -5.617 -6.248 -13.363 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.995 -4.510 -13.829 1.00 1.00 H new ATOM 0 HB ILE A 79 -7.540 -6.213 -15.427 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -9.817 -6.510 -13.473 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -9.813 -5.733 -15.044 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -7.647 -8.607 -14.824 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -6.194 -7.795 -14.194 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -7.552 -8.159 -13.104 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -11.133 -7.785 -15.084 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -9.716 -7.940 -16.150 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -9.720 -8.729 -14.555 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.651 -4.827 -11.491 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.898 -4.841 -10.083 1.00 1.00 C ATOM 1253 C CYS A 80 -9.946 -5.817 -9.674 1.00 1.00 C ATOM 1254 O CYS A 80 -10.934 -6.011 -10.379 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.287 -3.464 -9.515 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.962 -2.249 -9.793 1.00 1.00 S ATOM 0 H CYS A 80 -9.225 -4.161 -12.008 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.939 -5.146 -9.665 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -10.207 -3.119 -9.986 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.489 -3.550 -8.447 1.00 1.00 H new ATOM 0 HG CYS A 80 -8.485 -1.101 -10.107 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.798 -6.419 -8.480 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.708 -7.299 -7.812 1.00 1.00 C ATOM 1264 C ASP A 81 -12.136 -6.875 -7.806 1.00 1.00 C ATOM 1265 O ASP A 81 -13.034 -7.627 -8.182 1.00 1.00 O ATOM 1266 CB ASP A 81 -10.173 -7.462 -6.380 1.00 1.00 C ATOM 1267 CG ASP A 81 -11.005 -8.325 -5.442 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -11.394 -9.463 -5.818 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -11.239 -7.900 -4.279 1.00 1.00 O ATOM 0 H ASP A 81 -8.953 -6.273 -7.928 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.738 -8.237 -8.366 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -9.171 -7.886 -6.436 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -10.076 -6.471 -5.937 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.420 -5.643 -7.346 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.766 -5.188 -7.181 1.00 1.00 C ATOM 1276 C ARG A 82 -13.839 -3.714 -7.384 1.00 1.00 C ATOM 1277 O ARG A 82 -12.830 -3.060 -7.648 1.00 1.00 O ATOM 1278 CB ARG A 82 -14.326 -5.626 -5.817 1.00 1.00 C ATOM 1279 CG ARG A 82 -13.481 -5.261 -4.597 1.00 1.00 C ATOM 1280 CD ARG A 82 -14.038 -5.842 -3.295 1.00 1.00 C ATOM 1281 NE ARG A 82 -15.311 -5.128 -2.993 1.00 1.00 N ATOM 1282 CZ ARG A 82 -16.013 -5.322 -1.839 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -15.756 -6.368 -1.000 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -17.010 -4.443 -1.529 1.00 1.00 N ATOM 0 H ARG A 82 -11.711 -4.957 -7.086 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.397 -5.650 -7.940 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -15.315 -5.185 -5.694 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -14.459 -6.708 -5.832 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -12.463 -5.622 -4.744 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -13.425 -4.176 -4.511 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -14.214 -6.913 -3.398 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -13.324 -5.713 -2.482 1.00 1.00 H new ATOM 0 HE ARG A 82 -15.673 -4.466 -3.679 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -15.019 -7.035 -1.228 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -16.301 -6.482 -0.145 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -17.215 -3.664 -2.154 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -17.550 -4.566 -0.672 1.00 1.00 H new ATOM 1298 N SER A 83 -15.060 -3.155 -7.311 1.00 1.00 N ATOM 1299 CA SER A 83 -15.391 -1.785 -7.554 1.00 1.00 C ATOM 1300 C SER A 83 -15.471 -1.453 -9.005 1.00 1.00 C ATOM 1301 O SER A 83 -16.558 -1.285 -9.556 1.00 1.00 O ATOM 1302 CB SER A 83 -14.542 -0.766 -6.773 1.00 1.00 C ATOM 1303 OG SER A 83 -15.204 0.482 -6.640 1.00 1.00 O ATOM 0 H SER A 83 -15.881 -3.707 -7.062 1.00 1.00 H new ATOM 0 HA SER A 83 -16.397 -1.684 -7.146 1.00 1.00 H new ATOM 0 HB2 SER A 83 -14.316 -1.164 -5.784 1.00 1.00 H new ATOM 0 HB3 SER A 83 -13.590 -0.620 -7.283 1.00 1.00 H new ATOM 0 HG SER A 83 -14.635 1.102 -6.138 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.321 -1.365 -9.695 1.00 1.00 N ATOM 1310 CA GLY A 84 -14.276 -0.974 -11.070 1.00 1.00 C ATOM 1311 C GLY A 84 -12.896 -1.191 -11.587 1.00 1.00 C ATOM 1312 O GLY A 84 -11.966 -0.452 -11.268 1.00 1.00 O ATOM 0 H GLY A 84 -13.406 -1.569 -9.292 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -14.992 -1.555 -11.651 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.557 0.074 -11.174 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.690 -2.259 -12.379 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.392 -2.747 -12.723 1.00 1.00 C ATOM 1318 C GLU A 85 -10.462 -1.890 -13.513 1.00 1.00 C ATOM 1319 O GLU A 85 -10.583 -1.747 -14.729 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.499 -4.149 -13.345 1.00 1.00 C ATOM 1321 CG GLU A 85 -12.696 -4.500 -14.232 1.00 1.00 C ATOM 1322 CD GLU A 85 -12.716 -3.930 -15.642 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -11.853 -4.314 -16.477 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -13.644 -3.140 -15.958 1.00 1.00 O ATOM 0 H GLU A 85 -13.450 -2.799 -12.792 1.00 1.00 H new ATOM 0 HA GLU A 85 -10.896 -2.753 -11.752 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -10.598 -4.312 -13.936 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.478 -4.870 -12.527 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -12.752 -5.586 -14.307 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -13.601 -4.169 -13.722 1.00 1.00 H new ATOM 1331 N THR A 86 -9.440 -1.328 -12.845 1.00 1.00 N ATOM 1332 CA THR A 86 -8.306 -0.712 -13.460 1.00 1.00 C ATOM 1333 C THR A 86 -7.267 -0.308 -12.471 1.00 1.00 C ATOM 1334 O THR A 86 -7.578 0.445 -11.548 1.00 1.00 O ATOM 1335 CB THR A 86 -8.555 0.598 -14.146 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.847 0.756 -14.715 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.552 0.764 -15.300 1.00 1.00 C ATOM 0 H THR A 86 -9.403 -1.302 -11.826 1.00 1.00 H new ATOM 0 HA THR A 86 -8.018 -1.497 -14.160 1.00 1.00 H new ATOM 0 HB THR A 86 -8.451 1.343 -13.357 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.141 -0.095 -15.101 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.729 1.715 -15.802 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.536 0.746 -14.905 1.00 1.00 H new ATOM 0 HG23 THR A 86 -7.679 -0.051 -16.012 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.996 -0.714 -12.638 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.888 -0.379 -11.798 1.00 1.00 C ATOM 1347 C PHE A 87 -4.709 1.036 -11.366 1.00 1.00 C ATOM 1348 O PHE A 87 -5.182 1.444 -10.306 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.619 -0.877 -12.510 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.352 -0.893 -11.725 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -2.280 -0.663 -10.370 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.188 -1.107 -12.420 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -1.065 -0.586 -9.734 1.00 1.00 C ATOM 1354 CE2 PHE A 87 0.033 -1.071 -11.787 1.00 1.00 C ATOM 1355 CZ PHE A 87 0.096 -0.795 -10.441 1.00 1.00 C ATOM 0 H PHE A 87 -5.725 -1.318 -13.414 1.00 1.00 H new ATOM 0 HA PHE A 87 -5.101 -0.868 -10.848 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.808 -1.890 -12.865 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.461 -0.255 -13.391 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -3.189 -0.542 -9.800 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.231 -1.307 -13.480 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -1.021 -0.361 -8.679 1.00 1.00 H new ATOM 0 HE2 PHE A 87 0.939 -1.259 -12.345 1.00 1.00 H new ATOM 0 HZ PHE A 87 1.052 -0.743 -9.942 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.979 1.859 -12.139 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.513 3.138 -11.700 1.00 1.00 C ATOM 1367 C TRP A 88 -4.626 4.125 -11.611 1.00 1.00 C ATOM 1368 O TRP A 88 -4.546 5.086 -10.848 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.452 3.756 -12.626 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.200 2.939 -12.840 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -0.821 2.283 -13.975 1.00 1.00 C ATOM 1372 CD2 TRP A 88 -0.141 2.741 -11.884 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.402 1.691 -13.793 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.836 1.964 -12.518 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.023 3.166 -10.594 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 1.980 1.609 -11.857 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 1.179 2.806 -9.941 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.141 2.045 -10.561 1.00 1.00 C ATOM 0 H TRP A 88 -3.705 1.630 -13.094 1.00 1.00 H new ATOM 0 HA TRP A 88 -3.072 2.942 -10.722 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.911 3.942 -13.597 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -2.164 4.725 -12.219 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.401 2.237 -14.885 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.906 1.140 -14.488 1.00 1.00 H new ATOM 0 HE3 TRP A 88 -0.731 3.765 -10.104 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.735 1.004 -12.338 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 1.334 3.128 -8.922 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.040 1.784 -10.022 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.695 3.923 -12.402 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.876 4.729 -12.423 1.00 1.00 C ATOM 1391 C ASP A 89 -7.707 4.589 -11.193 1.00 1.00 C ATOM 1392 O ASP A 89 -8.119 5.579 -10.591 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.666 4.388 -13.697 1.00 1.00 C ATOM 1394 CG ASP A 89 -6.902 4.826 -14.937 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -6.035 4.070 -15.454 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -7.189 5.952 -15.424 1.00 1.00 O ATOM 0 H ASP A 89 -5.737 3.150 -13.067 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.583 5.779 -12.436 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.852 3.315 -13.739 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.638 4.880 -13.670 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.959 3.362 -10.703 1.00 1.00 N ATOM 1402 CA LEU A 90 -8.683 3.180 -9.485 1.00 1.00 C ATOM 1403 C LEU A 90 -7.889 3.626 -8.305 1.00 1.00 C ATOM 1404 O LEU A 90 -8.370 4.302 -7.397 1.00 1.00 O ATOM 1405 CB LEU A 90 -9.084 1.708 -9.283 1.00 1.00 C ATOM 1406 CG LEU A 90 -9.960 1.432 -8.050 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -11.245 2.277 -8.012 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -10.336 -0.057 -7.967 1.00 1.00 C ATOM 0 H LEU A 90 -7.661 2.496 -11.151 1.00 1.00 H new ATOM 0 HA LEU A 90 -9.582 3.791 -9.566 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -9.617 1.368 -10.171 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -8.177 1.108 -9.206 1.00 1.00 H new ATOM 0 HG LEU A 90 -9.354 1.717 -7.190 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.815 2.032 -7.116 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -10.984 3.335 -7.998 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.847 2.064 -8.895 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -10.956 -0.227 -7.087 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -10.890 -0.343 -8.861 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -9.429 -0.658 -7.894 1.00 1.00 H new ATOM 1420 N LEU A 91 -6.587 3.286 -8.319 1.00 1.00 N ATOM 1421 CA LEU A 91 -5.603 3.786 -7.412 1.00 1.00 C ATOM 1422 C LEU A 91 -5.494 5.272 -7.385 1.00 1.00 C ATOM 1423 O LEU A 91 -5.403 5.861 -6.309 1.00 1.00 O ATOM 1424 CB LEU A 91 -4.230 3.142 -7.674 1.00 1.00 C ATOM 1425 CG LEU A 91 -3.107 3.501 -6.687 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -3.457 3.215 -5.216 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.814 2.758 -7.065 1.00 1.00 C ATOM 0 H LEU A 91 -6.203 2.629 -8.998 1.00 1.00 H new ATOM 0 HA LEU A 91 -5.951 3.498 -6.420 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -4.354 2.059 -7.671 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.907 3.423 -8.676 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.967 4.579 -6.769 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -2.616 3.494 -4.581 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -4.335 3.795 -4.931 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -3.668 2.153 -5.092 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -1.025 3.019 -6.360 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.989 1.683 -7.032 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -1.510 3.045 -8.072 1.00 1.00 H new ATOM 1439 N GLU A 92 -5.560 5.969 -8.533 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.625 7.391 -8.667 1.00 1.00 C ATOM 1441 C GLU A 92 -6.762 7.973 -7.900 1.00 1.00 C ATOM 1442 O GLU A 92 -6.573 8.874 -7.085 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.709 7.839 -10.136 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.642 9.342 -10.407 1.00 1.00 C ATOM 1445 CD GLU A 92 -5.802 9.634 -11.891 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -6.945 9.526 -12.410 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -4.797 10.023 -12.547 1.00 1.00 O ATOM 0 H GLU A 92 -5.568 5.499 -9.438 1.00 1.00 H new ATOM 0 HA GLU A 92 -4.692 7.769 -8.248 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.898 7.359 -10.684 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.642 7.461 -10.553 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -6.425 9.852 -9.846 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.689 9.737 -10.055 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.988 7.442 -8.049 1.00 1.00 N ATOM 1455 CA GLN A 93 -9.112 7.846 -7.262 1.00 1.00 C ATOM 1456 C GLN A 93 -8.949 7.642 -5.795 1.00 1.00 C ATOM 1457 O GLN A 93 -9.192 8.543 -4.993 1.00 1.00 O ATOM 1458 CB GLN A 93 -10.383 7.180 -7.818 1.00 1.00 C ATOM 1459 CG GLN A 93 -11.220 8.104 -8.705 1.00 1.00 C ATOM 1460 CD GLN A 93 -10.405 8.808 -9.780 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -10.107 9.997 -9.665 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -10.013 8.063 -10.848 1.00 1.00 N ATOM 0 H GLN A 93 -8.204 6.715 -8.732 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.200 8.928 -7.355 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -10.100 6.298 -8.392 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -10.996 6.835 -6.986 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -12.010 7.522 -9.180 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -11.707 8.852 -8.080 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -10.279 7.080 -10.909 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -9.453 8.487 -11.588 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.475 6.459 -5.367 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.220 6.122 -4.001 1.00 1.00 C ATOM 1473 C ALA A 94 -7.172 6.944 -3.333 1.00 1.00 C ATOM 1474 O ALA A 94 -7.300 7.371 -2.187 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.837 4.631 -3.987 1.00 1.00 C ATOM 0 H ALA A 94 -8.258 5.697 -6.009 1.00 1.00 H new ATOM 0 HA ALA A 94 -9.119 6.333 -3.422 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.630 4.318 -2.964 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -8.660 4.040 -4.388 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.949 4.478 -4.600 1.00 1.00 H new ATOM 1481 N ALA A 95 -6.060 7.219 -4.039 1.00 1.00 N ATOM 1482 CA ALA A 95 -4.948 7.980 -3.563 1.00 1.00 C ATOM 1483 C ALA A 95 -5.153 9.454 -3.619 1.00 1.00 C ATOM 1484 O ALA A 95 -4.755 10.145 -2.683 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.671 7.558 -4.309 1.00 1.00 C ATOM 0 H ALA A 95 -5.931 6.891 -4.996 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.842 7.753 -2.502 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.826 8.141 -3.943 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.483 6.498 -4.137 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.798 7.735 -5.377 1.00 1.00 H new ATOM 1491 N THR A 96 -5.819 10.016 -4.645 1.00 1.00 N ATOM 1492 CA THR A 96 -6.227 11.386 -4.683 1.00 1.00 C ATOM 1493 C THR A 96 -7.119 11.743 -3.544 1.00 1.00 C ATOM 1494 O THR A 96 -6.990 12.809 -2.944 1.00 1.00 O ATOM 1495 CB THR A 96 -6.926 11.875 -5.917 1.00 1.00 C ATOM 1496 OG1 THR A 96 -8.001 11.049 -6.337 1.00 1.00 O ATOM 1497 CG2 THR A 96 -5.960 11.970 -7.110 1.00 1.00 C ATOM 0 H THR A 96 -6.083 9.495 -5.481 1.00 1.00 H new ATOM 0 HA THR A 96 -5.254 11.876 -4.644 1.00 1.00 H new ATOM 0 HB THR A 96 -7.315 12.852 -5.629 1.00 1.00 H new ATOM 0 HG1 THR A 96 -7.646 10.244 -6.769 1.00 1.00 H new ATOM 0 HG21 THR A 96 -6.499 12.327 -7.987 1.00 1.00 H new ATOM 0 HG22 THR A 96 -5.154 12.664 -6.871 1.00 1.00 H new ATOM 0 HG23 THR A 96 -5.541 10.986 -7.318 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.016 10.812 -3.175 1.00 1.00 N ATOM 1506 CA GLN A 97 -8.851 10.896 -2.018 1.00 1.00 C ATOM 1507 C GLN A 97 -8.086 11.001 -0.744 1.00 1.00 C ATOM 1508 O GLN A 97 -8.205 11.987 -0.019 1.00 1.00 O ATOM 1509 CB GLN A 97 -9.754 9.651 -1.993 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.502 9.326 -0.699 1.00 1.00 C ATOM 1511 CD GLN A 97 -11.659 10.291 -0.479 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -12.673 10.230 -1.174 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -11.521 11.201 0.520 1.00 1.00 N ATOM 0 H GLN A 97 -8.166 9.957 -3.711 1.00 1.00 H new ATOM 0 HA GLN A 97 -9.437 11.812 -2.089 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -10.493 9.760 -2.786 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -9.138 8.788 -2.247 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -10.879 8.304 -0.740 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.815 9.379 0.145 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -10.666 11.222 1.076 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -12.272 11.863 0.714 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.270 9.982 -0.417 1.00 1.00 N ATOM 1523 CA GLN A 98 -6.502 9.961 0.788 1.00 1.00 C ATOM 1524 C GLN A 98 -5.457 11.015 0.919 1.00 1.00 C ATOM 1525 O GLN A 98 -5.310 11.611 1.985 1.00 1.00 O ATOM 1526 CB GLN A 98 -5.846 8.581 0.973 1.00 1.00 C ATOM 1527 CG GLN A 98 -6.826 7.416 1.137 1.00 1.00 C ATOM 1528 CD GLN A 98 -7.257 7.161 2.574 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -6.847 6.174 3.183 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -8.121 8.039 3.152 1.00 1.00 N ATOM 0 H GLN A 98 -7.142 9.156 -1.002 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.229 10.176 1.571 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -5.207 8.381 0.113 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -5.198 8.618 1.849 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -7.712 7.613 0.533 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -6.366 6.510 0.741 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -8.449 8.851 2.629 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -8.441 7.885 4.108 1.00 1.00 H new ATOM 1539 N ALA A 99 -4.677 11.300 -0.139 1.00 1.00 N ATOM 1540 CA ALA A 99 -3.618 12.263 -0.111 1.00 1.00 C ATOM 1541 C ALA A 99 -4.096 13.671 -0.189 1.00 1.00 C ATOM 1542 O ALA A 99 -3.485 14.574 0.379 1.00 1.00 O ATOM 1543 CB ALA A 99 -2.621 11.996 -1.251 1.00 1.00 C ATOM 0 H ALA A 99 -4.787 10.845 -1.045 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.128 12.145 0.855 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -1.822 12.736 -1.216 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.197 10.998 -1.137 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.137 12.064 -2.209 1.00 1.00 H new ATOM 1549 N GLY A 100 -5.218 13.911 -0.894 1.00 1.00 N ATOM 1550 CA GLY A 100 -5.923 15.153 -0.897 1.00 1.00 C ATOM 1551 C GLY A 100 -5.635 16.052 -2.049 1.00 1.00 C ATOM 1552 O GLY A 100 -5.950 17.240 -1.998 1.00 1.00 O ATOM 0 H GLY A 100 -5.652 13.205 -1.489 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -6.993 14.944 -0.881 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -5.689 15.686 0.025 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.038 15.522 -3.132 1.00 1.00 N ATOM 1557 CA GLU A 101 -4.563 16.287 -4.240 1.00 1.00 C ATOM 1558 C GLU A 101 -4.239 15.347 -5.350 1.00 1.00 C ATOM 1559 O GLU A 101 -4.340 14.134 -5.174 1.00 1.00 O ATOM 1560 CB GLU A 101 -3.339 17.149 -3.887 1.00 1.00 C ATOM 1561 CG GLU A 101 -2.102 16.366 -3.443 1.00 1.00 C ATOM 1562 CD GLU A 101 -1.020 17.297 -2.910 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -0.592 18.223 -3.649 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -0.583 17.109 -1.743 1.00 1.00 O ATOM 0 H GLU A 101 -4.881 14.520 -3.238 1.00 1.00 H new ATOM 0 HA GLU A 101 -5.346 16.984 -4.540 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -3.076 17.752 -4.756 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -3.618 17.840 -3.092 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -2.381 15.649 -2.671 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -1.710 15.793 -4.284 1.00 1.00 H new ATOM 1571 N THR A 102 -3.868 15.838 -6.547 1.00 1.00 N ATOM 1572 CA THR A 102 -3.593 15.016 -7.686 1.00 1.00 C ATOM 1573 C THR A 102 -2.386 14.164 -7.498 1.00 1.00 C ATOM 1574 O THR A 102 -1.281 14.652 -7.267 1.00 1.00 O ATOM 1575 CB THR A 102 -3.410 15.747 -8.982 1.00 1.00 C ATOM 1576 OG1 THR A 102 -4.501 16.629 -9.206 1.00 1.00 O ATOM 1577 CG2 THR A 102 -3.375 14.780 -10.178 1.00 1.00 C ATOM 0 H THR A 102 -3.756 16.836 -6.728 1.00 1.00 H new ATOM 0 HA THR A 102 -4.500 14.416 -7.756 1.00 1.00 H new ATOM 0 HB THR A 102 -2.466 16.286 -8.905 1.00 1.00 H new ATOM 0 HG1 THR A 102 -4.370 17.102 -10.054 1.00 1.00 H new ATOM 0 HG21 THR A 102 -3.241 15.346 -11.100 1.00 1.00 H new ATOM 0 HG22 THR A 102 -2.547 14.082 -10.057 1.00 1.00 H new ATOM 0 HG23 THR A 102 -4.312 14.226 -10.225 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.562 12.834 -7.606 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.543 11.841 -7.475 1.00 1.00 C ATOM 1587 C VAL A 103 -1.125 11.494 -8.863 1.00 1.00 C ATOM 1588 O VAL A 103 -1.934 11.413 -9.786 1.00 1.00 O ATOM 1589 CB VAL A 103 -2.079 10.684 -6.683 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -3.007 9.781 -7.511 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -0.967 9.872 -5.998 1.00 1.00 C ATOM 0 H VAL A 103 -3.478 12.428 -7.798 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.666 12.184 -6.925 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.686 11.123 -5.892 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -3.366 8.961 -6.889 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -3.856 10.363 -7.869 1.00 1.00 H new ATOM 0 HG13 VAL A 103 -2.458 9.378 -8.362 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.410 9.048 -5.439 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.288 9.475 -6.753 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -0.413 10.517 -5.316 1.00 1.00 H new ATOM 1601 N SER A 104 0.196 11.362 -9.081 1.00 1.00 N ATOM 1602 CA SER A 104 0.762 11.394 -10.395 1.00 1.00 C ATOM 1603 C SER A 104 1.421 10.106 -10.755 1.00 1.00 C ATOM 1604 O SER A 104 2.644 9.990 -10.764 1.00 1.00 O ATOM 1605 CB SER A 104 1.776 12.544 -10.498 1.00 1.00 C ATOM 1606 OG SER A 104 1.967 12.985 -11.835 1.00 1.00 O ATOM 0 H SER A 104 0.881 11.231 -8.336 1.00 1.00 H new ATOM 0 HA SER A 104 -0.054 11.553 -11.100 1.00 1.00 H new ATOM 0 HB2 SER A 104 1.434 13.381 -9.889 1.00 1.00 H new ATOM 0 HB3 SER A 104 2.732 12.219 -10.086 1.00 1.00 H new ATOM 0 HG SER A 104 2.618 13.717 -11.848 1.00 1.00 H new ATOM 1612 N PHE A 105 0.644 9.080 -11.146 1.00 1.00 N ATOM 1613 CA PHE A 105 1.171 7.840 -11.623 1.00 1.00 C ATOM 1614 C PHE A 105 1.065 7.770 -13.108 1.00 1.00 C ATOM 1615 O PHE A 105 1.927 7.210 -13.782 1.00 1.00 O ATOM 1616 CB PHE A 105 0.358 6.656 -11.071 1.00 1.00 C ATOM 1617 CG PHE A 105 0.276 6.619 -9.584 1.00 1.00 C ATOM 1618 CD1 PHE A 105 1.396 6.365 -8.829 1.00 1.00 C ATOM 1619 CD2 PHE A 105 -0.939 6.748 -8.954 1.00 1.00 C ATOM 1620 CE1 PHE A 105 1.306 6.234 -7.463 1.00 1.00 C ATOM 1621 CE2 PHE A 105 -1.038 6.626 -7.588 1.00 1.00 C ATOM 1622 CZ PHE A 105 0.088 6.366 -6.841 1.00 1.00 C ATOM 0 H PHE A 105 -0.375 9.114 -11.130 1.00 1.00 H new ATOM 0 HA PHE A 105 2.210 7.785 -11.297 1.00 1.00 H new ATOM 0 HB2 PHE A 105 -0.652 6.700 -11.479 1.00 1.00 H new ATOM 0 HB3 PHE A 105 0.804 5.726 -11.423 1.00 1.00 H new ATOM 0 HD1 PHE A 105 2.356 6.267 -9.313 1.00 1.00 H new ATOM 0 HD2 PHE A 105 -1.825 6.947 -9.538 1.00 1.00 H new ATOM 0 HE1 PHE A 105 2.191 6.028 -6.880 1.00 1.00 H new ATOM 0 HE2 PHE A 105 -1.997 6.734 -7.103 1.00 1.00 H new ATOM 0 HZ PHE A 105 0.015 6.266 -5.768 1.00 1.00 H new ATOM 1632 N ARG A 106 -0.021 8.338 -13.663 1.00 1.00 N ATOM 1633 CA ARG A 106 -0.347 8.224 -15.051 1.00 1.00 C ATOM 1634 C ARG A 106 0.294 9.363 -15.833 1.00 1.00 C ATOM 1635 O ARG A 106 1.086 9.103 -16.777 1.00 1.00 O ATOM 1636 CB ARG A 106 -1.868 8.252 -15.267 1.00 1.00 C ATOM 1637 CG ARG A 106 -2.658 7.318 -14.348 1.00 1.00 C ATOM 1638 CD ARG A 106 -4.139 7.159 -14.692 1.00 1.00 C ATOM 1639 NE ARG A 106 -4.739 8.507 -14.900 1.00 1.00 N ATOM 1640 CZ ARG A 106 -5.412 8.852 -16.037 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -6.034 7.910 -16.803 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -5.475 10.153 -16.442 1.00 1.00 N ATOM 1643 OXT ARG A 106 0.044 10.552 -15.500 1.00 1.00 O ATOM 0 H ARG A 106 -0.692 8.893 -13.131 1.00 1.00 H new ATOM 0 HA ARG A 106 0.038 7.269 -15.408 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -2.224 9.272 -15.120 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -2.080 7.986 -16.303 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -2.190 6.334 -14.369 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -2.577 7.688 -13.326 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -4.253 6.554 -15.591 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -4.658 6.637 -13.888 1.00 1.00 H new ATOM 0 HE ARG A 106 -4.643 9.203 -14.160 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -6.001 6.928 -16.530 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -6.532 8.188 -17.649 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -5.016 10.881 -15.894 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -5.981 10.398 -17.293 1.00 1.00 H new TER 1657 ARG A 106