USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 758 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 33 TYR OH : rot 165:sc= 0.582 USER MOD Set 1.2: A 70 HIS : no HE2:sc= -1.06 K(o=-0.48,f=-13!) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0947) USER MOD Single : A 11 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.6) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0138) USER MOD Single : A 19 ASN : amide:sc= 0.473 K(o=0.47,f=-4!) USER MOD Single : A 23 LYS NZ :NH3+ -112:sc= 0.877 (180deg=-0.0438) USER MOD Single : A 25 TYR OH : rot 178:sc= -0.23 USER MOD Single : A 27 TYR OH : rot -86:sc= -1.5 USER MOD Single : A 32 MET CE :methyl 141:sc= -4.73! (180deg=-6.41!) USER MOD Single : A 34 HIS : no HE2:sc= -0.676 K(o=-0.68,f=-2.2!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 37 MET CE :methyl 179:sc= -0.156 (180deg=-0.16) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0895) USER MOD Single : A 51 ASN : amide:sc=-0.00114 X(o=-0.0011,f=0) USER MOD Single : A 54 SER OG : rot 180:sc=-0.000652 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.2!) USER MOD Single : A 74 TYR OH : rot -6:sc= 1.85 USER MOD Single : A 76 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.012) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.01) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= 0.165 X(o=0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.722 2.966 2.471 1.00 0.00 N ATOM 33 CA ARG A 3 -17.018 1.540 2.541 1.00 0.00 C ATOM 34 C ARG A 3 -16.698 0.851 1.218 1.00 0.00 C ATOM 35 O ARG A 3 -16.168 -0.260 1.198 1.00 0.00 O ATOM 36 CB ARG A 3 -18.489 1.323 2.903 1.00 0.00 C ATOM 37 CG ARG A 3 -18.707 0.935 4.358 1.00 0.00 C ATOM 38 CD ARG A 3 -19.074 -0.535 4.496 1.00 0.00 C ATOM 39 NE ARG A 3 -19.724 -0.819 5.774 1.00 0.00 N ATOM 40 CZ ARG A 3 -20.233 -2.005 6.097 1.00 0.00 C ATOM 41 NH1 ARG A 3 -20.171 -3.019 5.242 1.00 0.00 N ATOM 42 NH2 ARG A 3 -20.807 -2.179 7.280 1.00 0.00 N ATOM 0 HA ARG A 3 -16.391 1.100 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.045 2.236 2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.901 0.544 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.802 1.140 4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.499 1.550 4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.738 -0.821 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.174 -1.144 4.404 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.791 -0.065 6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.731 -2.891 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.563 -3.925 5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.858 -1.404 7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.198 -3.088 7.529 1.00 0.00 H new ATOM 56 N LYS A 4 -17.024 1.518 0.115 1.00 0.00 N ATOM 57 CA LYS A 4 -16.771 0.968 -1.212 1.00 0.00 C ATOM 58 C LYS A 4 -15.276 0.890 -1.494 1.00 0.00 C ATOM 59 O LYS A 4 -14.815 -0.010 -2.195 1.00 0.00 O ATOM 60 CB LYS A 4 -17.463 1.814 -2.282 1.00 0.00 C ATOM 61 CG LYS A 4 -18.969 1.605 -2.341 1.00 0.00 C ATOM 62 CD LYS A 4 -19.442 1.340 -3.760 1.00 0.00 C ATOM 63 CE LYS A 4 -19.075 -0.063 -4.217 1.00 0.00 C ATOM 64 NZ LYS A 4 -20.180 -1.035 -3.978 1.00 0.00 N ATOM 0 H LYS A 4 -17.463 2.439 0.114 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.180 -0.042 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.258 2.867 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.033 1.577 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.246 0.766 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.475 2.486 -1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.523 1.471 -3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.998 2.072 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.830 -0.046 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.181 -0.394 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.960 -1.934 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.283 -1.199 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.068 -0.651 -4.359 1.00 0.00 H new ATOM 78 N VAL A 5 -14.518 1.832 -0.939 1.00 0.00 N ATOM 79 CA VAL A 5 -13.074 1.851 -1.132 1.00 0.00 C ATOM 80 C VAL A 5 -12.479 0.494 -0.770 1.00 0.00 C ATOM 81 O VAL A 5 -11.581 -0.005 -1.451 1.00 0.00 O ATOM 82 CB VAL A 5 -12.401 2.944 -0.279 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.907 3.006 -0.565 1.00 0.00 C ATOM 84 CG2 VAL A 5 -13.053 4.296 -0.529 1.00 0.00 C ATOM 0 H VAL A 5 -14.878 2.587 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.887 2.071 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.536 2.689 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.451 3.784 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.451 2.045 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.747 3.234 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.564 5.054 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.953 4.559 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.110 4.244 -0.267 1.00 0.00 H new ATOM 94 N ALA A 6 -12.998 -0.098 0.298 1.00 0.00 N ATOM 95 CA ALA A 6 -12.538 -1.403 0.750 1.00 0.00 C ATOM 96 C ALA A 6 -13.024 -2.503 -0.187 1.00 0.00 C ATOM 97 O ALA A 6 -12.325 -3.490 -0.416 1.00 0.00 O ATOM 98 CB ALA A 6 -13.012 -1.668 2.171 1.00 0.00 C ATOM 0 H ALA A 6 -13.740 0.307 0.868 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.448 -1.404 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.660 -2.647 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.614 -0.901 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.101 -1.645 2.201 1.00 0.00 H new ATOM 104 N ARG A 7 -14.228 -2.326 -0.727 1.00 0.00 N ATOM 105 CA ARG A 7 -14.805 -3.304 -1.641 1.00 0.00 C ATOM 106 C ARG A 7 -14.017 -3.358 -2.943 1.00 0.00 C ATOM 107 O ARG A 7 -13.796 -4.432 -3.501 1.00 0.00 O ATOM 108 CB ARG A 7 -16.270 -2.968 -1.926 1.00 0.00 C ATOM 109 CG ARG A 7 -17.183 -4.185 -1.939 1.00 0.00 C ATOM 110 CD ARG A 7 -18.649 -3.785 -1.892 1.00 0.00 C ATOM 111 NE ARG A 7 -19.412 -4.366 -2.994 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.845 -5.625 -3.013 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.592 -6.437 -1.994 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.533 -6.073 -4.054 1.00 0.00 N ATOM 0 H ARG A 7 -14.820 -1.515 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.754 -4.284 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.626 -2.265 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.337 -2.463 -2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.994 -4.773 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.952 -4.823 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -19.081 -4.105 -0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.729 -2.699 -1.929 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.626 -3.773 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -19.063 -6.098 -1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.926 -7.400 -2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.730 -5.453 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.865 -7.037 -4.069 1.00 0.00 H new ATOM 128 N GLU A 8 -13.593 -2.196 -3.421 1.00 0.00 N ATOM 129 CA GLU A 8 -12.826 -2.118 -4.657 1.00 0.00 C ATOM 130 C GLU A 8 -11.420 -2.669 -4.449 1.00 0.00 C ATOM 131 O GLU A 8 -10.949 -3.503 -5.220 1.00 0.00 O ATOM 132 CB GLU A 8 -12.761 -0.671 -5.154 1.00 0.00 C ATOM 133 CG GLU A 8 -13.361 -0.479 -6.539 1.00 0.00 C ATOM 134 CD GLU A 8 -12.324 -0.100 -7.578 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.473 -0.953 -7.906 1.00 0.00 O ATOM 136 OE2 GLU A 8 -12.364 1.050 -8.065 1.00 0.00 O ATOM 0 H GLU A 8 -13.767 -1.296 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.327 -2.724 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.285 -0.028 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.721 -0.346 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.858 -1.399 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.126 0.297 -6.495 1.00 0.00 H new ATOM 143 N PHE A 9 -10.757 -2.202 -3.395 1.00 0.00 N ATOM 144 CA PHE A 9 -9.409 -2.660 -3.085 1.00 0.00 C ATOM 145 C PHE A 9 -9.402 -4.162 -2.834 1.00 0.00 C ATOM 146 O PHE A 9 -8.522 -4.879 -3.312 1.00 0.00 O ATOM 147 CB PHE A 9 -8.863 -1.921 -1.860 1.00 0.00 C ATOM 148 CG PHE A 9 -7.479 -2.355 -1.464 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.382 -1.999 -2.230 1.00 0.00 C ATOM 150 CD2 PHE A 9 -7.279 -3.118 -0.324 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.108 -2.398 -1.869 1.00 0.00 C ATOM 152 CE2 PHE A 9 -6.008 -3.520 0.041 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.922 -3.159 -0.732 1.00 0.00 C ATOM 0 H PHE A 9 -11.130 -1.510 -2.745 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.768 -2.445 -3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.854 -0.851 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.539 -2.079 -1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.523 -1.403 -3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.125 -3.401 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.260 -2.115 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.864 -4.116 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.928 -3.472 -0.447 1.00 0.00 H new ATOM 163 N ARG A 10 -10.394 -4.635 -2.086 1.00 0.00 N ATOM 164 CA ARG A 10 -10.508 -6.053 -1.778 1.00 0.00 C ATOM 165 C ARG A 10 -10.926 -6.843 -3.011 1.00 0.00 C ATOM 166 O ARG A 10 -10.354 -7.890 -3.312 1.00 0.00 O ATOM 167 CB ARG A 10 -11.515 -6.276 -0.647 1.00 0.00 C ATOM 168 CG ARG A 10 -11.319 -7.590 0.092 1.00 0.00 C ATOM 169 CD ARG A 10 -11.885 -8.762 -0.693 1.00 0.00 C ATOM 170 NE ARG A 10 -13.254 -8.514 -1.135 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.322 -8.645 -0.351 1.00 0.00 C ATOM 172 NH1 ARG A 10 -14.182 -9.019 0.915 1.00 0.00 N ATOM 173 NH2 ARG A 10 -15.533 -8.400 -0.833 1.00 0.00 N ATOM 0 H ARG A 10 -11.130 -4.055 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.529 -6.408 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.438 -5.454 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.524 -6.247 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.256 -7.752 0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.804 -7.536 1.067 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.254 -8.956 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.861 -9.659 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.401 -8.223 -2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.253 -9.207 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.004 -9.118 1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.646 -8.111 -1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.351 -8.500 -0.232 1.00 0.00 H new ATOM 187 N HIS A 11 -11.927 -6.335 -3.728 1.00 0.00 N ATOM 188 CA HIS A 11 -12.410 -7.001 -4.933 1.00 0.00 C ATOM 189 C HIS A 11 -11.285 -7.165 -5.949 1.00 0.00 C ATOM 190 O HIS A 11 -11.114 -8.236 -6.532 1.00 0.00 O ATOM 191 CB HIS A 11 -13.567 -6.215 -5.554 1.00 0.00 C ATOM 192 CG HIS A 11 -14.137 -6.857 -6.781 1.00 0.00 C ATOM 193 ND1 HIS A 11 -14.915 -6.178 -7.695 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.038 -8.126 -7.244 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.270 -7.000 -8.664 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.750 -8.188 -8.416 1.00 0.00 N ATOM 0 H HIS A 11 -12.416 -5.470 -3.496 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.769 -7.991 -4.650 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.358 -6.102 -4.812 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.221 -5.213 -5.806 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.499 -8.938 -6.778 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.882 -6.744 -9.516 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.860 -9.017 -9.000 1.00 0.00 H new ATOM 205 N LYS A 12 -10.515 -6.101 -6.151 1.00 0.00 N ATOM 206 CA LYS A 12 -9.402 -6.137 -7.091 1.00 0.00 C ATOM 207 C LYS A 12 -8.404 -7.217 -6.688 1.00 0.00 C ATOM 208 O LYS A 12 -8.065 -8.096 -7.483 1.00 0.00 O ATOM 209 CB LYS A 12 -8.708 -4.773 -7.150 1.00 0.00 C ATOM 210 CG LYS A 12 -8.676 -4.169 -8.544 1.00 0.00 C ATOM 211 CD LYS A 12 -7.396 -4.530 -9.281 1.00 0.00 C ATOM 212 CE LYS A 12 -7.423 -4.040 -10.718 1.00 0.00 C ATOM 213 NZ LYS A 12 -7.391 -2.554 -10.800 1.00 0.00 N ATOM 0 H LYS A 12 -10.641 -5.206 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.793 -6.372 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.219 -4.085 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.686 -4.878 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.536 -4.521 -9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.763 -3.085 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.542 -4.094 -8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.260 -5.611 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.570 -4.452 -11.258 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.321 -4.411 -11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.325 -2.263 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.260 -2.164 -10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.565 -2.195 -10.279 1.00 0.00 H new ATOM 227 N VAL A 13 -7.946 -7.153 -5.442 1.00 0.00 N ATOM 228 CA VAL A 13 -6.994 -8.130 -4.927 1.00 0.00 C ATOM 229 C VAL A 13 -7.511 -9.547 -5.134 1.00 0.00 C ATOM 230 O VAL A 13 -6.746 -10.460 -5.441 1.00 0.00 O ATOM 231 CB VAL A 13 -6.710 -7.909 -3.429 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.634 -8.866 -2.939 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.305 -6.464 -3.168 1.00 0.00 C ATOM 0 H VAL A 13 -8.219 -6.435 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.066 -7.995 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.625 -8.113 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.449 -8.693 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.966 -9.894 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.715 -8.698 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.109 -6.328 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.405 -6.230 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.112 -5.799 -3.476 1.00 0.00 H new ATOM 243 N ASP A 14 -8.817 -9.722 -4.973 1.00 0.00 N ATOM 244 CA ASP A 14 -9.436 -11.028 -5.148 1.00 0.00 C ATOM 245 C ASP A 14 -9.491 -11.409 -6.625 1.00 0.00 C ATOM 246 O ASP A 14 -9.455 -12.590 -6.970 1.00 0.00 O ATOM 247 CB ASP A 14 -10.846 -11.031 -4.553 1.00 0.00 C ATOM 248 CG ASP A 14 -11.486 -12.406 -4.591 1.00 0.00 C ATOM 249 OD1 ASP A 14 -10.740 -13.408 -4.600 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.732 -12.480 -4.611 1.00 0.00 O ATOM 0 H ASP A 14 -9.466 -8.976 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.828 -11.765 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.803 -10.681 -3.521 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.471 -10.327 -5.102 1.00 0.00 H new ATOM 255 N PHE A 15 -9.572 -10.404 -7.494 1.00 0.00 N ATOM 256 CA PHE A 15 -9.625 -10.640 -8.931 1.00 0.00 C ATOM 257 C PHE A 15 -8.284 -11.156 -9.437 1.00 0.00 C ATOM 258 O PHE A 15 -8.216 -11.888 -10.424 1.00 0.00 O ATOM 259 CB PHE A 15 -10.008 -9.354 -9.667 1.00 0.00 C ATOM 260 CG PHE A 15 -11.233 -9.496 -10.523 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.305 -10.479 -11.498 1.00 0.00 C ATOM 262 CD2 PHE A 15 -12.315 -8.645 -10.353 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.431 -10.610 -12.287 1.00 0.00 C ATOM 264 CE2 PHE A 15 -13.444 -8.773 -11.140 1.00 0.00 C ATOM 265 CZ PHE A 15 -13.503 -9.757 -12.108 1.00 0.00 C ATOM 0 H PHE A 15 -9.602 -9.420 -7.227 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.385 -11.396 -9.128 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.175 -8.563 -8.936 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.172 -9.040 -10.292 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.471 -11.150 -11.642 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.275 -7.874 -9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.474 -11.379 -13.044 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.280 -8.104 -10.998 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.385 -9.859 -12.723 1.00 0.00 H new ATOM 275 N LEU A 16 -7.219 -10.748 -8.757 1.00 0.00 N ATOM 276 CA LEU A 16 -5.868 -11.146 -9.134 1.00 0.00 C ATOM 277 C LEU A 16 -5.483 -12.476 -8.497 1.00 0.00 C ATOM 278 O LEU A 16 -5.040 -13.398 -9.183 1.00 0.00 O ATOM 279 CB LEU A 16 -4.870 -10.060 -8.725 1.00 0.00 C ATOM 280 CG LEU A 16 -5.401 -8.624 -8.807 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.887 -7.797 -7.639 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.002 -7.985 -10.128 1.00 0.00 C ATOM 0 H LEU A 16 -7.265 -10.140 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.843 -11.272 -10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.546 -10.253 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.988 -10.141 -9.360 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.489 -8.656 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.274 -6.781 -7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.220 -8.244 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.798 -7.773 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.387 -6.966 -10.170 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.915 -7.966 -10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.418 -8.564 -10.953 1.00 0.00 H new ATOM 294 N ILE A 17 -5.646 -12.564 -7.186 1.00 0.00 N ATOM 295 CA ILE A 17 -5.313 -13.778 -6.452 1.00 0.00 C ATOM 296 C ILE A 17 -6.338 -14.866 -6.680 1.00 0.00 C ATOM 297 O ILE A 17 -6.002 -15.977 -7.088 1.00 0.00 O ATOM 298 CB ILE A 17 -5.218 -13.522 -4.938 1.00 0.00 C ATOM 299 CG1 ILE A 17 -4.386 -12.279 -4.651 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.625 -14.733 -4.237 1.00 0.00 C ATOM 301 CD1 ILE A 17 -2.948 -12.392 -5.106 1.00 0.00 C ATOM 0 H ILE A 17 -6.008 -11.807 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.343 -14.100 -6.831 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.224 -13.353 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.847 -11.422 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.404 -12.080 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.563 -14.539 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.259 -15.602 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.627 -14.928 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.418 -11.470 -4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.469 -13.228 -4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.919 -12.560 -6.183 1.00 0.00 H new ATOM 313 N GLU A 18 -7.587 -14.550 -6.382 1.00 0.00 N ATOM 314 CA GLU A 18 -8.660 -15.504 -6.518 1.00 0.00 C ATOM 315 C GLU A 18 -8.467 -16.659 -5.549 1.00 0.00 C ATOM 316 O GLU A 18 -9.224 -17.629 -5.547 1.00 0.00 O ATOM 317 CB GLU A 18 -8.738 -16.001 -7.948 1.00 0.00 C ATOM 318 CG GLU A 18 -8.599 -14.898 -8.983 1.00 0.00 C ATOM 319 CD GLU A 18 -9.186 -15.283 -10.327 1.00 0.00 C ATOM 320 OE1 GLU A 18 -9.012 -16.448 -10.741 1.00 0.00 O ATOM 321 OE2 GLU A 18 -9.820 -14.417 -10.966 1.00 0.00 O ATOM 0 H GLU A 18 -7.878 -13.633 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.603 -15.014 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.954 -16.741 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.691 -16.509 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.094 -13.998 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.544 -14.653 -9.108 1.00 0.00 H new ATOM 328 N ASN A 19 -7.437 -16.532 -4.729 1.00 0.00 N ATOM 329 CA ASN A 19 -7.107 -17.546 -3.738 1.00 0.00 C ATOM 330 C ASN A 19 -7.438 -17.059 -2.331 1.00 0.00 C ATOM 331 O ASN A 19 -8.047 -16.001 -2.157 1.00 0.00 O ATOM 332 CB ASN A 19 -5.624 -17.913 -3.829 1.00 0.00 C ATOM 333 CG ASN A 19 -5.383 -19.395 -3.620 1.00 0.00 C ATOM 334 OD1 ASN A 19 -6.084 -20.048 -2.847 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.385 -19.935 -4.312 1.00 0.00 N ATOM 0 H ASN A 19 -6.809 -15.729 -4.730 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.707 -18.432 -3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.239 -17.619 -4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.066 -17.348 -3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.175 -20.928 -4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.829 -19.356 -4.942 1.00 0.00 H new ATOM 342 N ASP A 20 -7.033 -17.834 -1.331 1.00 0.00 N ATOM 343 CA ASP A 20 -7.286 -17.481 0.060 1.00 0.00 C ATOM 344 C ASP A 20 -5.981 -17.365 0.837 1.00 0.00 C ATOM 345 O ASP A 20 -5.761 -16.390 1.557 1.00 0.00 O ATOM 346 CB ASP A 20 -8.195 -18.522 0.715 1.00 0.00 C ATOM 347 CG ASP A 20 -9.529 -18.656 0.006 1.00 0.00 C ATOM 348 OD1 ASP A 20 -9.541 -18.633 -1.242 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.560 -18.782 0.700 1.00 0.00 O ATOM 0 H ASP A 20 -6.528 -18.711 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.785 -16.512 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.691 -19.488 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.366 -18.247 1.756 1.00 0.00 H new ATOM 354 N ALA A 21 -5.115 -18.363 0.688 1.00 0.00 N ATOM 355 CA ALA A 21 -3.831 -18.369 1.377 1.00 0.00 C ATOM 356 C ALA A 21 -3.012 -17.137 1.013 1.00 0.00 C ATOM 357 O ALA A 21 -2.384 -16.517 1.873 1.00 0.00 O ATOM 358 CB ALA A 21 -3.059 -19.638 1.045 1.00 0.00 C ATOM 0 H ALA A 21 -5.280 -19.177 0.096 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.020 -18.345 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.102 -19.629 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.636 -20.508 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.886 -19.688 -0.030 1.00 0.00 H new ATOM 364 N GLU A 22 -3.028 -16.786 -0.267 1.00 0.00 N ATOM 365 CA GLU A 22 -2.289 -15.624 -0.749 1.00 0.00 C ATOM 366 C GLU A 22 -2.881 -14.340 -0.180 1.00 0.00 C ATOM 367 O GLU A 22 -2.156 -13.479 0.319 1.00 0.00 O ATOM 368 CB GLU A 22 -2.307 -15.580 -2.278 1.00 0.00 C ATOM 369 CG GLU A 22 -1.138 -16.311 -2.920 1.00 0.00 C ATOM 370 CD GLU A 22 -1.584 -17.413 -3.861 1.00 0.00 C ATOM 371 OE1 GLU A 22 -2.081 -17.091 -4.960 1.00 0.00 O ATOM 372 OE2 GLU A 22 -1.436 -18.599 -3.497 1.00 0.00 O ATOM 0 H GLU A 22 -3.544 -17.288 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.256 -15.709 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.239 -16.018 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.298 -14.540 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.525 -15.596 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.509 -16.738 -2.139 1.00 0.00 H new ATOM 379 N LYS A 23 -4.204 -14.224 -0.244 1.00 0.00 N ATOM 380 CA LYS A 23 -4.887 -13.049 0.280 1.00 0.00 C ATOM 381 C LYS A 23 -4.700 -12.964 1.785 1.00 0.00 C ATOM 382 O LYS A 23 -4.651 -11.875 2.351 1.00 0.00 O ATOM 383 CB LYS A 23 -6.377 -13.097 -0.064 1.00 0.00 C ATOM 384 CG LYS A 23 -7.002 -11.724 -0.254 1.00 0.00 C ATOM 385 CD LYS A 23 -8.519 -11.808 -0.316 1.00 0.00 C ATOM 386 CE LYS A 23 -8.988 -12.573 -1.543 1.00 0.00 C ATOM 387 NZ LYS A 23 -9.686 -13.837 -1.177 1.00 0.00 N ATOM 0 H LYS A 23 -4.821 -14.927 -0.652 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.454 -12.161 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.512 -13.678 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.908 -13.622 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.706 -11.071 0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.623 -11.274 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.894 -12.297 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.939 -10.802 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.659 -11.944 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.132 -12.802 -2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.109 -14.650 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.828 -13.870 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.609 -13.875 -1.655 1.00 0.00 H new ATOM 401 N ASP A 24 -4.573 -14.121 2.425 1.00 0.00 N ATOM 402 CA ASP A 24 -4.368 -14.172 3.862 1.00 0.00 C ATOM 403 C ASP A 24 -3.055 -13.488 4.219 1.00 0.00 C ATOM 404 O ASP A 24 -3.005 -12.637 5.108 1.00 0.00 O ATOM 405 CB ASP A 24 -4.354 -15.621 4.352 1.00 0.00 C ATOM 406 CG ASP A 24 -4.875 -15.757 5.770 1.00 0.00 C ATOM 407 OD1 ASP A 24 -4.184 -15.298 6.702 1.00 0.00 O ATOM 408 OD2 ASP A 24 -5.975 -16.323 5.945 1.00 0.00 O ATOM 0 H ASP A 24 -4.609 -15.033 1.970 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.190 -13.650 4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.961 -16.233 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.336 -16.008 4.303 1.00 0.00 H new ATOM 413 N TYR A 25 -1.991 -13.856 3.509 1.00 0.00 N ATOM 414 CA TYR A 25 -0.680 -13.267 3.742 1.00 0.00 C ATOM 415 C TYR A 25 -0.673 -11.800 3.347 1.00 0.00 C ATOM 416 O TYR A 25 -0.214 -10.950 4.110 1.00 0.00 O ATOM 417 CB TYR A 25 0.401 -14.029 2.974 1.00 0.00 C ATOM 418 CG TYR A 25 1.800 -13.513 3.225 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.385 -13.615 4.482 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.537 -12.922 2.206 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.663 -13.145 4.715 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.815 -12.450 2.431 1.00 0.00 C ATOM 423 CZ TYR A 25 4.374 -12.563 3.687 1.00 0.00 C ATOM 424 OH TYR A 25 5.647 -12.093 3.915 1.00 0.00 O ATOM 0 H TYR A 25 -2.013 -14.558 2.770 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.462 -13.340 4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.356 -15.083 3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.187 -13.970 1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.831 -14.069 5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.103 -12.830 1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.103 -13.233 5.697 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.374 -11.994 1.627 1.00 0.00 H new ATOM 0 HH TYR A 25 6.021 -11.742 3.080 1.00 0.00 H new ATOM 434 N LEU A 26 -1.203 -11.492 2.165 1.00 0.00 N ATOM 435 CA LEU A 26 -1.263 -10.109 1.719 1.00 0.00 C ATOM 436 C LEU A 26 -2.028 -9.303 2.748 1.00 0.00 C ATOM 437 O LEU A 26 -1.628 -8.201 3.119 1.00 0.00 O ATOM 438 CB LEU A 26 -1.927 -9.999 0.344 1.00 0.00 C ATOM 439 CG LEU A 26 -2.164 -8.571 -0.149 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.870 -7.771 -0.114 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.748 -8.581 -1.553 1.00 0.00 C ATOM 0 H LEU A 26 -1.590 -12.172 1.511 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.250 -9.718 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.306 -10.520 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.884 -10.519 0.377 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.881 -8.092 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.059 -6.758 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.493 -7.734 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.130 -8.248 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.910 -7.556 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.055 -9.079 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.698 -9.115 -1.548 1.00 0.00 H new ATOM 453 N TYR A 27 -3.108 -9.891 3.252 1.00 0.00 N ATOM 454 CA TYR A 27 -3.891 -9.245 4.290 1.00 0.00 C ATOM 455 C TYR A 27 -3.002 -9.041 5.510 1.00 0.00 C ATOM 456 O TYR A 27 -3.121 -8.045 6.224 1.00 0.00 O ATOM 457 CB TYR A 27 -5.113 -10.089 4.662 1.00 0.00 C ATOM 458 CG TYR A 27 -6.405 -9.582 4.062 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.902 -8.329 4.398 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.129 -10.356 3.164 1.00 0.00 C ATOM 461 CE1 TYR A 27 -8.083 -7.861 3.853 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.310 -9.894 2.615 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.783 -8.647 2.963 1.00 0.00 C ATOM 464 OH TYR A 27 -9.959 -8.184 2.419 1.00 0.00 O ATOM 0 H TYR A 27 -3.456 -10.804 2.960 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.253 -8.284 3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.948 -11.115 4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.211 -10.113 5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.357 -7.711 5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.763 -11.335 2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.456 -6.884 4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.860 -10.507 1.916 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.703 -8.391 3.023 1.00 0.00 H new ATOM 474 N ASP A 28 -2.087 -9.992 5.727 1.00 0.00 N ATOM 475 CA ASP A 28 -1.156 -9.915 6.840 1.00 0.00 C ATOM 476 C ASP A 28 -0.106 -8.838 6.581 1.00 0.00 C ATOM 477 O ASP A 28 0.360 -8.178 7.510 1.00 0.00 O ATOM 478 CB ASP A 28 -0.477 -11.268 7.062 1.00 0.00 C ATOM 479 CG ASP A 28 -0.417 -11.649 8.530 1.00 0.00 C ATOM 480 OD1 ASP A 28 -0.462 -10.738 9.382 1.00 0.00 O ATOM 481 OD2 ASP A 28 -0.329 -12.859 8.825 1.00 0.00 O ATOM 0 H ASP A 28 -1.977 -10.821 5.143 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.714 -9.652 7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.017 -12.038 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.534 -11.236 6.656 1.00 0.00 H new ATOM 486 N VAL A 29 0.262 -8.660 5.309 1.00 0.00 N ATOM 487 CA VAL A 29 1.254 -7.656 4.946 1.00 0.00 C ATOM 488 C VAL A 29 0.720 -6.251 5.202 1.00 0.00 C ATOM 489 O VAL A 29 1.384 -5.428 5.830 1.00 0.00 O ATOM 490 CB VAL A 29 1.671 -7.778 3.466 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.760 -6.771 3.129 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.135 -9.194 3.159 1.00 0.00 C ATOM 0 H VAL A 29 -0.110 -9.194 4.524 1.00 0.00 H new ATOM 0 HA VAL A 29 2.130 -7.833 5.571 1.00 0.00 H new ATOM 0 HB VAL A 29 0.802 -7.559 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.039 -6.874 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.390 -5.761 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.632 -6.955 3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.425 -9.262 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.989 -9.442 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.323 -9.894 3.357 1.00 0.00 H new ATOM 502 N LEU A 30 -0.488 -5.985 4.718 1.00 0.00 N ATOM 503 CA LEU A 30 -1.110 -4.681 4.906 1.00 0.00 C ATOM 504 C LEU A 30 -1.364 -4.427 6.387 1.00 0.00 C ATOM 505 O LEU A 30 -1.254 -3.296 6.863 1.00 0.00 O ATOM 506 CB LEU A 30 -2.424 -4.601 4.126 1.00 0.00 C ATOM 507 CG LEU A 30 -2.269 -4.503 2.607 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.597 -4.764 1.917 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.721 -3.140 2.214 1.00 0.00 C ATOM 0 H LEU A 30 -1.054 -6.653 4.194 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.432 -3.915 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.022 -5.482 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.985 -3.734 4.476 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.560 -5.265 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.467 -4.690 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.949 -5.763 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.329 -4.026 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.617 -3.088 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.406 -2.362 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.746 -2.992 2.679 1.00 0.00 H new ATOM 521 N ARG A 31 -1.699 -5.490 7.113 1.00 0.00 N ATOM 522 CA ARG A 31 -1.963 -5.389 8.543 1.00 0.00 C ATOM 523 C ARG A 31 -0.684 -5.061 9.305 1.00 0.00 C ATOM 524 O ARG A 31 -0.676 -4.189 10.175 1.00 0.00 O ATOM 525 CB ARG A 31 -2.566 -6.694 9.068 1.00 0.00 C ATOM 526 CG ARG A 31 -4.000 -6.550 9.553 1.00 0.00 C ATOM 527 CD ARG A 31 -4.780 -7.844 9.387 1.00 0.00 C ATOM 528 NE ARG A 31 -4.326 -8.880 10.313 1.00 0.00 N ATOM 529 CZ ARG A 31 -5.044 -9.954 10.632 1.00 0.00 C ATOM 530 NH1 ARG A 31 -6.249 -10.137 10.106 1.00 0.00 N ATOM 531 NH2 ARG A 31 -4.556 -10.848 11.482 1.00 0.00 N ATOM 0 H ARG A 31 -1.794 -6.432 6.733 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.678 -4.582 8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.532 -7.444 8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.950 -7.066 9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.002 -6.256 10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.494 -5.753 8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.840 -7.652 9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.675 -8.202 8.363 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.406 -8.773 10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.630 -9.452 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.794 -10.962 10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.631 -10.712 11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.106 -11.672 11.727 1.00 0.00 H new ATOM 545 N MET A 32 0.398 -5.759 8.971 1.00 0.00 N ATOM 546 CA MET A 32 1.680 -5.530 9.627 1.00 0.00 C ATOM 547 C MET A 32 2.277 -4.198 9.186 1.00 0.00 C ATOM 548 O MET A 32 3.014 -3.557 9.935 1.00 0.00 O ATOM 549 CB MET A 32 2.652 -6.675 9.326 1.00 0.00 C ATOM 550 CG MET A 32 3.103 -6.740 7.877 1.00 0.00 C ATOM 551 SD MET A 32 4.865 -7.087 7.710 1.00 0.00 S ATOM 552 CE MET A 32 5.565 -5.748 8.671 1.00 0.00 C ATOM 0 H MET A 32 0.412 -6.484 8.254 1.00 0.00 H new ATOM 0 HA MET A 32 1.511 -5.494 10.703 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.529 -6.570 9.964 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.177 -7.620 9.590 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.534 -7.512 7.358 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.876 -5.793 7.387 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.419 -6.116 9.239 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.890 -4.951 8.002 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.812 -5.361 9.358 1.00 0.00 H new ATOM 562 N TYR A 33 1.948 -3.786 7.965 1.00 0.00 N ATOM 563 CA TYR A 33 2.443 -2.529 7.422 1.00 0.00 C ATOM 564 C TYR A 33 1.849 -1.344 8.177 1.00 0.00 C ATOM 565 O TYR A 33 2.530 -0.355 8.434 1.00 0.00 O ATOM 566 CB TYR A 33 2.108 -2.432 5.929 1.00 0.00 C ATOM 567 CG TYR A 33 2.316 -1.056 5.335 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.376 -0.252 5.742 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.453 -0.559 4.368 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.567 1.006 5.202 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.636 0.698 3.823 1.00 0.00 C ATOM 572 CZ TYR A 33 2.695 1.476 4.242 1.00 0.00 C ATOM 573 OH TYR A 33 2.879 2.727 3.703 1.00 0.00 O ATOM 0 H TYR A 33 1.339 -4.307 7.333 1.00 0.00 H new ATOM 0 HA TYR A 33 3.526 -2.502 7.543 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.722 -3.148 5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.069 -2.726 5.781 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.061 -0.617 6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.624 -1.165 4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.394 1.618 5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.953 1.069 3.073 1.00 0.00 H new ATOM 0 HH TYR A 33 2.339 2.815 2.890 1.00 0.00 H new ATOM 583 N HIS A 34 0.573 -1.453 8.528 1.00 0.00 N ATOM 584 CA HIS A 34 -0.112 -0.389 9.252 1.00 0.00 C ATOM 585 C HIS A 34 0.472 -0.218 10.653 1.00 0.00 C ATOM 586 O HIS A 34 0.473 0.883 11.204 1.00 0.00 O ATOM 587 CB HIS A 34 -1.609 -0.692 9.344 1.00 0.00 C ATOM 588 CG HIS A 34 -2.395 0.369 10.050 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.313 0.586 11.410 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.282 1.277 9.579 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.117 1.582 11.744 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.715 2.018 10.651 1.00 0.00 N ATOM 0 H HIS A 34 -0.008 -2.266 8.323 1.00 0.00 H new ATOM 0 HA HIS A 34 0.032 0.542 8.704 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.008 -0.818 8.337 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.748 -1.640 9.863 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.725 0.061 12.057 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.591 1.396 8.551 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.260 1.972 12.741 1.00 0.00 H new ATOM 601 N GLN A 35 0.962 -1.312 11.223 1.00 0.00 N ATOM 602 CA GLN A 35 1.542 -1.283 12.562 1.00 0.00 C ATOM 603 C GLN A 35 2.957 -0.717 12.546 1.00 0.00 C ATOM 604 O GLN A 35 3.235 0.310 13.166 1.00 0.00 O ATOM 605 CB GLN A 35 1.553 -2.691 13.163 1.00 0.00 C ATOM 606 CG GLN A 35 0.262 -3.056 13.878 1.00 0.00 C ATOM 607 CD GLN A 35 -0.035 -4.542 13.819 1.00 0.00 C ATOM 608 OE1 GLN A 35 0.779 -5.366 14.236 1.00 0.00 O ATOM 609 NE2 GLN A 35 -1.206 -4.892 13.300 1.00 0.00 N ATOM 0 H GLN A 35 0.970 -2.231 10.780 1.00 0.00 H new ATOM 0 HA GLN A 35 0.923 -0.630 13.177 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.736 -3.415 12.369 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.383 -2.771 13.865 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.327 -2.743 14.920 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.565 -2.505 13.430 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.851 -4.175 12.966 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.461 -5.877 13.235 1.00 0.00 H new ATOM 618 N THR A 36 3.848 -1.400 11.841 1.00 0.00 N ATOM 619 CA THR A 36 5.243 -0.979 11.750 1.00 0.00 C ATOM 620 C THR A 36 5.399 0.249 10.859 1.00 0.00 C ATOM 621 O THR A 36 6.329 1.038 11.032 1.00 0.00 O ATOM 622 CB THR A 36 6.107 -2.122 11.214 1.00 0.00 C ATOM 623 OG1 THR A 36 7.439 -1.687 11.003 1.00 0.00 O ATOM 624 CG2 THR A 36 5.600 -2.697 9.909 1.00 0.00 C ATOM 0 H THR A 36 3.631 -2.251 11.322 1.00 0.00 H new ATOM 0 HA THR A 36 5.575 -0.714 12.754 1.00 0.00 H new ATOM 0 HB THR A 36 6.061 -2.900 11.976 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.976 -2.432 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.259 -3.503 9.586 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.592 -3.087 10.051 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.583 -1.916 9.149 1.00 0.00 H new ATOM 632 N MET A 37 4.490 0.408 9.902 1.00 0.00 N ATOM 633 CA MET A 37 4.541 1.542 8.984 1.00 0.00 C ATOM 634 C MET A 37 5.805 1.488 8.132 1.00 0.00 C ATOM 635 O MET A 37 6.359 2.522 7.756 1.00 0.00 O ATOM 636 CB MET A 37 4.485 2.861 9.760 1.00 0.00 C ATOM 637 CG MET A 37 3.490 3.858 9.191 1.00 0.00 C ATOM 638 SD MET A 37 1.814 3.594 9.802 1.00 0.00 S ATOM 639 CE MET A 37 0.982 3.083 8.299 1.00 0.00 C ATOM 0 H MET A 37 3.712 -0.231 9.742 1.00 0.00 H new ATOM 0 HA MET A 37 3.675 1.486 8.324 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.225 2.652 10.798 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.477 3.313 9.765 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.810 4.869 9.444 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.491 3.786 8.103 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.063 2.865 8.518 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.039 3.883 7.561 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.463 2.189 7.903 1.00 0.00 H new ATOM 649 N ASP A 38 6.257 0.274 7.833 1.00 0.00 N ATOM 650 CA ASP A 38 7.459 0.079 7.029 1.00 0.00 C ATOM 651 C ASP A 38 7.099 -0.259 5.586 1.00 0.00 C ATOM 652 O ASP A 38 6.740 -1.392 5.271 1.00 0.00 O ATOM 653 CB ASP A 38 8.321 -1.033 7.628 1.00 0.00 C ATOM 654 CG ASP A 38 9.800 -0.699 7.600 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.137 0.499 7.485 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.622 -1.635 7.695 1.00 0.00 O ATOM 0 H ASP A 38 5.808 -0.591 8.136 1.00 0.00 H new ATOM 0 HA ASP A 38 8.026 1.010 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.012 -1.213 8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.150 -1.958 7.077 1.00 0.00 H new ATOM 661 N VAL A 39 7.200 0.737 4.714 1.00 0.00 N ATOM 662 CA VAL A 39 6.889 0.557 3.300 1.00 0.00 C ATOM 663 C VAL A 39 7.858 -0.414 2.634 1.00 0.00 C ATOM 664 O VAL A 39 7.500 -1.109 1.686 1.00 0.00 O ATOM 665 CB VAL A 39 6.932 1.892 2.530 1.00 0.00 C ATOM 666 CG1 VAL A 39 5.567 2.566 2.544 1.00 0.00 C ATOM 667 CG2 VAL A 39 8.002 2.821 3.091 1.00 0.00 C ATOM 0 H VAL A 39 7.496 1.681 4.962 1.00 0.00 H new ATOM 0 HA VAL A 39 5.878 0.151 3.262 1.00 0.00 H new ATOM 0 HB VAL A 39 7.195 1.672 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.620 3.506 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.833 1.912 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.269 2.763 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.007 3.753 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.788 3.032 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.978 2.343 3.010 1.00 0.00 H new ATOM 677 N ALA A 40 9.084 -0.454 3.138 1.00 0.00 N ATOM 678 CA ALA A 40 10.104 -1.335 2.591 1.00 0.00 C ATOM 679 C ALA A 40 9.786 -2.787 2.907 1.00 0.00 C ATOM 680 O ALA A 40 10.188 -3.694 2.179 1.00 0.00 O ATOM 681 CB ALA A 40 11.474 -0.961 3.139 1.00 0.00 C ATOM 0 H ALA A 40 9.395 0.114 3.926 1.00 0.00 H new ATOM 0 HA ALA A 40 10.116 -1.216 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.228 -1.629 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.708 0.067 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.469 -1.054 4.225 1.00 0.00 H new ATOM 687 N VAL A 41 9.059 -3.002 3.997 1.00 0.00 N ATOM 688 CA VAL A 41 8.690 -4.346 4.400 1.00 0.00 C ATOM 689 C VAL A 41 7.514 -4.860 3.576 1.00 0.00 C ATOM 690 O VAL A 41 7.545 -5.981 3.063 1.00 0.00 O ATOM 691 CB VAL A 41 8.340 -4.413 5.901 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.908 -5.820 6.294 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.524 -3.962 6.741 1.00 0.00 C ATOM 0 H VAL A 41 8.717 -2.264 4.613 1.00 0.00 H new ATOM 0 HA VAL A 41 9.556 -4.982 4.219 1.00 0.00 H new ATOM 0 HB VAL A 41 7.505 -3.738 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.666 -5.843 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.029 -6.106 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.719 -6.520 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.262 -4.015 7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.377 -4.612 6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.783 -2.935 6.482 1.00 0.00 H new ATOM 703 N LEU A 42 6.477 -4.037 3.450 1.00 0.00 N ATOM 704 CA LEU A 42 5.294 -4.414 2.686 1.00 0.00 C ATOM 705 C LEU A 42 5.663 -4.713 1.236 1.00 0.00 C ATOM 706 O LEU A 42 5.127 -5.640 0.628 1.00 0.00 O ATOM 707 CB LEU A 42 4.232 -3.309 2.757 1.00 0.00 C ATOM 708 CG LEU A 42 4.404 -2.161 1.759 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.764 -2.515 0.426 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.805 -0.879 2.316 1.00 0.00 C ATOM 0 H LEU A 42 6.433 -3.107 3.866 1.00 0.00 H new ATOM 0 HA LEU A 42 4.876 -5.320 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.253 -3.760 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.232 -2.894 3.765 1.00 0.00 H new ATOM 0 HG LEU A 42 5.470 -2.000 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.895 -1.688 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.237 -3.410 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.700 -2.701 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.936 -0.073 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.742 -1.027 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.307 -0.617 3.247 1.00 0.00 H new ATOM 722 N VAL A 43 6.588 -3.929 0.689 1.00 0.00 N ATOM 723 CA VAL A 43 7.031 -4.123 -0.686 1.00 0.00 C ATOM 724 C VAL A 43 7.712 -5.479 -0.839 1.00 0.00 C ATOM 725 O VAL A 43 7.515 -6.176 -1.834 1.00 0.00 O ATOM 726 CB VAL A 43 8.001 -3.010 -1.132 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.441 -3.222 -2.573 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.356 -1.643 -0.965 1.00 0.00 C ATOM 0 H VAL A 43 7.043 -3.157 1.176 1.00 0.00 H new ATOM 0 HA VAL A 43 6.146 -4.084 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 43 8.886 -3.054 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.125 -2.425 -2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.946 -4.184 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.568 -3.209 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.055 -0.870 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.453 -1.590 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.097 -1.488 0.083 1.00 0.00 H new ATOM 738 N GLY A 44 8.510 -5.850 0.159 1.00 0.00 N ATOM 739 CA GLY A 44 9.198 -7.126 0.122 1.00 0.00 C ATOM 740 C GLY A 44 8.232 -8.287 0.018 1.00 0.00 C ATOM 741 O GLY A 44 8.346 -9.124 -0.878 1.00 0.00 O ATOM 0 H GLY A 44 8.691 -5.289 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.881 -7.145 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.804 -7.238 1.021 1.00 0.00 H new ATOM 745 N ASP A 45 7.265 -8.332 0.930 1.00 0.00 N ATOM 746 CA ASP A 45 6.265 -9.391 0.927 1.00 0.00 C ATOM 747 C ASP A 45 5.499 -9.389 -0.391 1.00 0.00 C ATOM 748 O ASP A 45 5.289 -10.439 -1.005 1.00 0.00 O ATOM 749 CB ASP A 45 5.294 -9.215 2.096 1.00 0.00 C ATOM 750 CG ASP A 45 6.005 -9.170 3.434 1.00 0.00 C ATOM 751 OD1 ASP A 45 7.047 -9.844 3.577 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.520 -8.460 4.341 1.00 0.00 O ATOM 0 H ASP A 45 7.154 -7.648 1.679 1.00 0.00 H new ATOM 0 HA ASP A 45 6.776 -10.347 1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.726 -8.295 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.577 -10.036 2.096 1.00 0.00 H new ATOM 757 N LEU A 46 5.093 -8.199 -0.830 1.00 0.00 N ATOM 758 CA LEU A 46 4.362 -8.056 -2.081 1.00 0.00 C ATOM 759 C LEU A 46 5.112 -8.743 -3.217 1.00 0.00 C ATOM 760 O LEU A 46 4.506 -9.334 -4.102 1.00 0.00 O ATOM 761 CB LEU A 46 4.148 -6.577 -2.414 1.00 0.00 C ATOM 762 CG LEU A 46 2.821 -5.986 -1.930 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.769 -4.491 -2.205 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.645 -6.688 -2.595 1.00 0.00 C ATOM 0 H LEU A 46 5.259 -7.322 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 46 3.388 -8.532 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.964 -6.001 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.211 -6.452 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 46 2.752 -6.143 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.818 -4.089 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.587 -3.996 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.864 -4.315 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.712 -6.253 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.712 -6.565 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.668 -7.750 -2.349 1.00 0.00 H new ATOM 776 N LYS A 47 6.436 -8.672 -3.177 1.00 0.00 N ATOM 777 CA LYS A 47 7.260 -9.299 -4.204 1.00 0.00 C ATOM 778 C LYS A 47 7.157 -10.818 -4.114 1.00 0.00 C ATOM 779 O LYS A 47 6.906 -11.498 -5.110 1.00 0.00 O ATOM 780 CB LYS A 47 8.719 -8.864 -4.056 1.00 0.00 C ATOM 781 CG LYS A 47 9.012 -7.504 -4.668 1.00 0.00 C ATOM 782 CD LYS A 47 9.952 -6.691 -3.794 1.00 0.00 C ATOM 783 CE LYS A 47 10.865 -5.807 -4.630 1.00 0.00 C ATOM 784 NZ LYS A 47 11.916 -6.597 -5.326 1.00 0.00 N ATOM 0 H LYS A 47 6.961 -8.189 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 47 6.895 -8.979 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.977 -8.840 -2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.361 -9.610 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.454 -7.636 -5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.079 -6.958 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.371 -6.072 -3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.554 -7.363 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.271 -5.265 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.336 -5.062 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.668 -5.959 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.319 -7.295 -4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.497 -7.090 -6.140 1.00 0.00 H new ATOM 798 N LEU A 48 7.350 -11.345 -2.909 1.00 0.00 N ATOM 799 CA LEU A 48 7.279 -12.785 -2.680 1.00 0.00 C ATOM 800 C LEU A 48 5.949 -13.357 -3.165 1.00 0.00 C ATOM 801 O LEU A 48 5.861 -14.537 -3.507 1.00 0.00 O ATOM 802 CB LEU A 48 7.464 -13.094 -1.193 1.00 0.00 C ATOM 803 CG LEU A 48 8.857 -12.793 -0.637 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.844 -12.836 0.883 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.875 -13.778 -1.190 1.00 0.00 C ATOM 0 H LEU A 48 7.557 -10.796 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 48 8.082 -13.254 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.731 -12.521 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.243 -14.148 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 48 9.144 -11.789 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.843 -12.620 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.143 -12.092 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.536 -13.827 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.860 -13.549 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.592 -14.792 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.903 -13.700 -2.277 1.00 0.00 H new ATOM 817 N VAL A 49 4.915 -12.520 -3.192 1.00 0.00 N ATOM 818 CA VAL A 49 3.595 -12.956 -3.635 1.00 0.00 C ATOM 819 C VAL A 49 3.316 -12.515 -5.068 1.00 0.00 C ATOM 820 O VAL A 49 2.565 -13.166 -5.793 1.00 0.00 O ATOM 821 CB VAL A 49 2.486 -12.406 -2.718 1.00 0.00 C ATOM 822 CG1 VAL A 49 1.136 -12.995 -3.096 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.808 -12.687 -1.258 1.00 0.00 C ATOM 0 H VAL A 49 4.966 -11.540 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 49 3.593 -14.045 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 49 2.435 -11.326 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.366 -12.594 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.901 -12.734 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.171 -14.080 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.012 -12.291 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.891 -13.763 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.752 -12.209 -0.995 1.00 0.00 H new ATOM 833 N ILE A 50 3.929 -11.407 -5.466 1.00 0.00 N ATOM 834 CA ILE A 50 3.750 -10.868 -6.811 1.00 0.00 C ATOM 835 C ILE A 50 5.029 -11.026 -7.633 1.00 0.00 C ATOM 836 O ILE A 50 5.294 -10.263 -8.562 1.00 0.00 O ATOM 837 CB ILE A 50 3.327 -9.380 -6.751 1.00 0.00 C ATOM 838 CG1 ILE A 50 1.948 -9.249 -6.097 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.312 -8.753 -8.136 1.00 0.00 C ATOM 840 CD1 ILE A 50 1.999 -8.832 -4.643 1.00 0.00 C ATOM 0 H ILE A 50 4.557 -10.862 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 50 2.956 -11.433 -7.299 1.00 0.00 H new ATOM 0 HB ILE A 50 4.061 -8.846 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.360 -8.520 -6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.428 -10.204 -6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.011 -7.708 -8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.309 -8.812 -8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.605 -9.288 -8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.985 -8.761 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.559 -9.572 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.490 -7.862 -4.560 1.00 0.00 H new ATOM 852 N ASN A 51 5.821 -12.032 -7.287 1.00 0.00 N ATOM 853 CA ASN A 51 7.073 -12.303 -7.990 1.00 0.00 C ATOM 854 C ASN A 51 6.859 -12.323 -9.502 1.00 0.00 C ATOM 855 O ASN A 51 7.774 -12.025 -10.270 1.00 0.00 O ATOM 856 CB ASN A 51 7.658 -13.641 -7.529 1.00 0.00 C ATOM 857 CG ASN A 51 9.174 -13.647 -7.553 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.791 -14.322 -8.377 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.784 -12.892 -6.645 1.00 0.00 N ATOM 0 H ASN A 51 5.620 -12.677 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 51 7.774 -11.503 -7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.312 -13.857 -6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.284 -14.439 -8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.803 -12.856 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.233 -12.348 -5.981 1.00 0.00 H new ATOM 866 N GLU A 52 5.646 -12.671 -9.921 1.00 0.00 N ATOM 867 CA GLU A 52 5.315 -12.724 -11.341 1.00 0.00 C ATOM 868 C GLU A 52 4.679 -11.413 -11.800 1.00 0.00 C ATOM 869 O GLU A 52 3.864 -10.828 -11.086 1.00 0.00 O ATOM 870 CB GLU A 52 4.365 -13.891 -11.620 1.00 0.00 C ATOM 871 CG GLU A 52 4.916 -15.242 -11.192 1.00 0.00 C ATOM 872 CD GLU A 52 4.013 -16.393 -11.590 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.008 -16.757 -12.785 1.00 0.00 O ATOM 874 OE2 GLU A 52 3.312 -16.930 -10.707 1.00 0.00 O ATOM 0 H GLU A 52 4.877 -12.920 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 52 6.239 -12.874 -11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.422 -13.712 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.143 -13.920 -12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.900 -15.386 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.052 -15.249 -10.110 1.00 0.00 H new ATOM 881 N PRO A 53 5.043 -10.930 -13.003 1.00 0.00 N ATOM 882 CA PRO A 53 4.501 -9.678 -13.547 1.00 0.00 C ATOM 883 C PRO A 53 2.976 -9.685 -13.620 1.00 0.00 C ATOM 884 O PRO A 53 2.340 -8.633 -13.624 1.00 0.00 O ATOM 885 CB PRO A 53 5.098 -9.606 -14.956 1.00 0.00 C ATOM 886 CG PRO A 53 6.318 -10.459 -14.900 1.00 0.00 C ATOM 887 CD PRO A 53 6.009 -11.558 -13.922 1.00 0.00 C ATOM 0 HA PRO A 53 4.754 -8.825 -12.918 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.394 -9.973 -15.703 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.346 -8.580 -15.228 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.555 -10.866 -15.883 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.184 -9.881 -14.577 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.584 -12.431 -14.418 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.904 -11.894 -13.398 1.00 0.00 H new ATOM 895 N SER A 54 2.397 -10.880 -13.682 1.00 0.00 N ATOM 896 CA SER A 54 0.946 -11.026 -13.761 1.00 0.00 C ATOM 897 C SER A 54 0.257 -10.341 -12.584 1.00 0.00 C ATOM 898 O SER A 54 -0.825 -9.772 -12.732 1.00 0.00 O ATOM 899 CB SER A 54 0.565 -12.507 -13.799 1.00 0.00 C ATOM 900 OG SER A 54 0.708 -13.103 -12.521 1.00 0.00 O ATOM 0 H SER A 54 2.910 -11.762 -13.679 1.00 0.00 H new ATOM 0 HA SER A 54 0.610 -10.545 -14.679 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.465 -12.612 -14.140 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.194 -13.029 -14.520 1.00 0.00 H new ATOM 0 HG SER A 54 0.457 -14.049 -12.571 1.00 0.00 H new ATOM 906 N ARG A 55 0.886 -10.404 -11.415 1.00 0.00 N ATOM 907 CA ARG A 55 0.328 -9.793 -10.212 1.00 0.00 C ATOM 908 C ARG A 55 0.752 -8.329 -10.074 1.00 0.00 C ATOM 909 O ARG A 55 0.560 -7.719 -9.023 1.00 0.00 O ATOM 910 CB ARG A 55 0.759 -10.579 -8.974 1.00 0.00 C ATOM 911 CG ARG A 55 -0.115 -11.786 -8.683 1.00 0.00 C ATOM 912 CD ARG A 55 0.682 -12.906 -8.037 1.00 0.00 C ATOM 913 NE ARG A 55 0.028 -14.206 -8.189 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.602 -14.847 -7.205 1.00 0.00 C ATOM 915 NH1 ARG A 55 -0.688 -14.312 -5.993 1.00 0.00 N ATOM 916 NH2 ARG A 55 -1.155 -16.030 -7.436 1.00 0.00 N ATOM 0 H ARG A 55 1.782 -10.871 -11.274 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.758 -9.821 -10.300 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.789 -10.910 -9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.746 -9.915 -8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.934 -11.494 -8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.563 -12.144 -9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.676 -12.947 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.816 -12.690 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 55 0.056 -14.650 -9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.269 -13.401 -5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.173 -14.812 -5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.098 -16.447 -8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.638 -16.523 -6.685 1.00 0.00 H new ATOM 930 N LEU A 56 1.324 -7.768 -11.138 1.00 0.00 N ATOM 931 CA LEU A 56 1.773 -6.376 -11.130 1.00 0.00 C ATOM 932 C LEU A 56 0.711 -5.438 -10.545 1.00 0.00 C ATOM 933 O LEU A 56 1.014 -4.616 -9.680 1.00 0.00 O ATOM 934 CB LEU A 56 2.134 -5.931 -12.549 1.00 0.00 C ATOM 935 CG LEU A 56 3.617 -6.041 -12.904 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.856 -5.608 -14.342 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.456 -5.204 -11.948 1.00 0.00 C ATOM 0 H LEU A 56 1.488 -8.257 -12.018 1.00 0.00 H new ATOM 0 HA LEU A 56 2.656 -6.319 -10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.561 -6.529 -13.258 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.821 -4.895 -12.679 1.00 0.00 H new ATOM 0 HG LEU A 56 3.918 -7.084 -12.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.917 -5.693 -14.576 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.284 -6.247 -15.014 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.539 -4.573 -14.468 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.509 -5.293 -12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.152 -4.160 -12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.308 -5.559 -10.928 1.00 0.00 H new ATOM 949 N PRO A 57 -0.545 -5.542 -11.017 1.00 0.00 N ATOM 950 CA PRO A 57 -1.645 -4.692 -10.544 1.00 0.00 C ATOM 951 C PRO A 57 -1.643 -4.487 -9.029 1.00 0.00 C ATOM 952 O PRO A 57 -2.118 -3.465 -8.535 1.00 0.00 O ATOM 953 CB PRO A 57 -2.882 -5.471 -10.978 1.00 0.00 C ATOM 954 CG PRO A 57 -2.461 -6.161 -12.229 1.00 0.00 C ATOM 955 CD PRO A 57 -0.998 -6.488 -12.060 1.00 0.00 C ATOM 0 HA PRO A 57 -1.581 -3.682 -10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.191 -6.185 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.728 -4.807 -11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.046 -7.067 -12.389 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.619 -5.522 -13.098 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.852 -7.523 -11.752 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.447 -6.352 -12.991 1.00 0.00 H new ATOM 963 N LEU A 58 -1.111 -5.461 -8.295 1.00 0.00 N ATOM 964 CA LEU A 58 -1.059 -5.372 -6.838 1.00 0.00 C ATOM 965 C LEU A 58 -0.269 -4.148 -6.386 1.00 0.00 C ATOM 966 O LEU A 58 -0.598 -3.524 -5.378 1.00 0.00 O ATOM 967 CB LEU A 58 -0.444 -6.646 -6.248 1.00 0.00 C ATOM 968 CG LEU A 58 -1.241 -7.280 -5.107 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.164 -6.418 -3.858 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.688 -7.493 -5.522 1.00 0.00 C ATOM 0 H LEU A 58 -0.712 -6.316 -8.682 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.081 -5.268 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.333 -7.381 -7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.558 -6.414 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.802 -8.252 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.737 -6.886 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.124 -6.318 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.576 -5.432 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.240 -7.945 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.138 -6.534 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.725 -8.153 -6.388 1.00 0.00 H new ATOM 982 N PHE A 59 0.775 -3.807 -7.134 1.00 0.00 N ATOM 983 CA PHE A 59 1.607 -2.655 -6.801 1.00 0.00 C ATOM 984 C PHE A 59 0.867 -1.349 -7.069 1.00 0.00 C ATOM 985 O PHE A 59 0.875 -0.436 -6.242 1.00 0.00 O ATOM 986 CB PHE A 59 2.908 -2.691 -7.604 1.00 0.00 C ATOM 987 CG PHE A 59 3.915 -3.669 -7.069 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.560 -4.987 -6.833 1.00 0.00 C ATOM 989 CD2 PHE A 59 5.215 -3.271 -6.803 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.483 -5.890 -6.340 1.00 0.00 C ATOM 991 CE2 PHE A 59 6.142 -4.169 -6.311 1.00 0.00 C ATOM 992 CZ PHE A 59 5.775 -5.479 -6.079 1.00 0.00 C ATOM 0 H PHE A 59 1.065 -4.310 -7.973 1.00 0.00 H new ATOM 0 HA PHE A 59 1.841 -2.705 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.680 -2.946 -8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.349 -1.694 -7.611 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.551 -5.313 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.507 -2.247 -6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.194 -6.915 -6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.153 -3.846 -6.108 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.498 -6.182 -5.693 1.00 0.00 H new ATOM 1002 N ASP A 60 0.224 -1.268 -8.230 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.522 -0.073 -8.608 1.00 0.00 C ATOM 1004 C ASP A 60 -1.833 0.005 -7.838 1.00 0.00 C ATOM 1005 O ASP A 60 -2.376 1.086 -7.624 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.799 -0.072 -10.112 1.00 0.00 C ATOM 1007 CG ASP A 60 -1.039 1.323 -10.654 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -1.962 2.003 -10.154 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -0.306 1.738 -11.575 1.00 0.00 O ATOM 0 H ASP A 60 0.205 -2.015 -8.924 1.00 0.00 H new ATOM 0 HA ASP A 60 0.082 0.800 -8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.045 -0.522 -10.635 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.670 -0.694 -10.319 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.338 -1.152 -7.429 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.584 -1.227 -6.681 1.00 0.00 C ATOM 1016 C ALA A 61 -3.441 -0.610 -5.290 1.00 0.00 C ATOM 1017 O ALA A 61 -4.278 0.183 -4.863 1.00 0.00 O ATOM 1018 CB ALA A 61 -4.032 -2.675 -6.575 1.00 0.00 C ATOM 0 H ALA A 61 -1.900 -2.056 -7.605 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.339 -0.653 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.965 -2.727 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.186 -3.082 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.267 -3.256 -6.060 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.379 -0.993 -4.589 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.119 -0.494 -3.241 1.00 0.00 C ATOM 1026 C ILE A 62 -1.601 0.944 -3.253 1.00 0.00 C ATOM 1027 O ILE A 62 -1.883 1.725 -2.347 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.107 -1.391 -2.496 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.486 -2.865 -2.641 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.039 -1.006 -1.025 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.328 -3.811 -2.409 1.00 0.00 C ATOM 0 H ILE A 62 -1.680 -1.651 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.074 -0.515 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.123 -1.242 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.283 -3.098 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.887 -3.032 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.321 -1.648 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.725 0.034 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.022 -1.128 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.669 -4.839 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.461 -3.604 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.059 -3.672 -1.400 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.819 1.279 -4.274 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.229 2.612 -4.400 1.00 0.00 C ATOM 1045 C ARG A 63 -1.213 3.745 -4.064 1.00 0.00 C ATOM 1046 O ARG A 63 -0.885 4.631 -3.275 1.00 0.00 O ATOM 1047 CB ARG A 63 0.314 2.809 -5.817 1.00 0.00 C ATOM 1048 CG ARG A 63 1.716 3.393 -5.856 1.00 0.00 C ATOM 1049 CD ARG A 63 2.267 3.424 -7.273 1.00 0.00 C ATOM 1050 NE ARG A 63 2.196 2.115 -7.918 1.00 0.00 N ATOM 1051 CZ ARG A 63 2.433 1.912 -9.211 1.00 0.00 C ATOM 1052 NH1 ARG A 63 2.755 2.929 -10.002 1.00 0.00 N ATOM 1053 NH2 ARG A 63 2.346 0.690 -9.717 1.00 0.00 N ATOM 0 H ARG A 63 -0.576 0.642 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 63 0.579 2.665 -3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.315 1.849 -6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.360 3.466 -6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.702 4.404 -5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.376 2.802 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.708 4.150 -7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.303 3.762 -7.251 1.00 0.00 H new ATOM 0 HE ARG A 63 1.950 1.309 -7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.822 3.872 -9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.936 2.767 -10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.097 -0.095 -9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.528 0.534 -10.709 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.421 3.756 -4.662 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.409 4.815 -4.415 1.00 0.00 C ATOM 1069 C PRO A 64 -3.710 5.024 -2.933 1.00 0.00 C ATOM 1070 O PRO A 64 -3.619 6.143 -2.429 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.665 4.334 -5.157 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.406 2.904 -5.494 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.917 2.774 -5.631 1.00 0.00 C ATOM 0 HA PRO A 64 -3.040 5.781 -4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.553 4.435 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.839 4.924 -6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.785 2.244 -4.713 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.909 2.624 -6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.575 1.766 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.582 2.998 -6.644 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.071 3.951 -2.233 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.379 4.050 -0.808 1.00 0.00 C ATOM 1083 C LEU A 65 -3.110 4.234 0.025 1.00 0.00 C ATOM 1084 O LEU A 65 -3.181 4.477 1.231 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.151 2.817 -0.329 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.630 1.474 -0.846 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.703 0.416 0.244 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.419 1.035 -2.070 1.00 0.00 C ATOM 0 H LEU A 65 -4.157 3.013 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.007 4.930 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.133 2.799 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.193 2.923 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.586 1.597 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.328 -0.532 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.095 0.727 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.738 0.294 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.036 0.078 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.471 0.929 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.316 1.782 -2.857 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.952 4.124 -0.621 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.675 4.285 0.064 1.00 0.00 C ATOM 1102 C ILE A 66 -0.283 5.763 0.135 1.00 0.00 C ATOM 1103 O ILE A 66 -0.397 6.489 -0.853 1.00 0.00 O ATOM 1104 CB ILE A 66 0.441 3.479 -0.648 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.348 2.001 -0.271 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.826 4.020 -0.311 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.374 1.135 -0.969 1.00 0.00 C ATOM 0 H ILE A 66 -1.873 3.924 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.790 3.900 1.077 1.00 0.00 H new ATOM 0 HB ILE A 66 0.293 3.586 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.472 1.901 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.650 1.635 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.583 3.430 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.897 5.060 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.989 3.957 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.250 0.099 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.236 1.206 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.376 1.476 -0.708 1.00 0.00 H new ATOM 1119 N PRO A 67 0.193 6.228 1.307 1.00 0.00 N ATOM 1120 CA PRO A 67 0.611 7.620 1.501 1.00 0.00 C ATOM 1121 C PRO A 67 1.390 8.169 0.332 1.00 0.00 C ATOM 1122 O PRO A 67 2.262 7.514 -0.237 1.00 0.00 O ATOM 1123 CB PRO A 67 1.483 7.546 2.750 1.00 0.00 C ATOM 1124 CG PRO A 67 0.900 6.427 3.541 1.00 0.00 C ATOM 1125 CD PRO A 67 0.372 5.430 2.539 1.00 0.00 C ATOM 0 HA PRO A 67 -0.241 8.293 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.525 7.353 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.459 8.482 3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.653 5.971 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.102 6.785 4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.072 4.609 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.568 4.990 2.870 1.00 0.00 H new ATOM 1133 N LEU A 68 1.045 9.393 -0.007 1.00 0.00 N ATOM 1134 CA LEU A 68 1.656 10.111 -1.095 1.00 0.00 C ATOM 1135 C LEU A 68 3.179 10.073 -1.000 1.00 0.00 C ATOM 1136 O LEU A 68 3.868 9.872 -2.000 1.00 0.00 O ATOM 1137 CB LEU A 68 1.145 11.536 -1.026 1.00 0.00 C ATOM 1138 CG LEU A 68 0.067 11.882 -2.048 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -0.414 13.312 -1.855 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.584 11.674 -3.465 1.00 0.00 C ATOM 0 H LEU A 68 0.319 9.922 0.477 1.00 0.00 H new ATOM 0 HA LEU A 68 1.395 9.651 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.749 11.717 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.986 12.215 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.780 11.213 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.183 13.540 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.828 13.424 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.424 13.998 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.200 11.926 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.449 12.315 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.873 10.632 -3.597 1.00 0.00 H new ATOM 1152 N LYS A 69 3.700 10.249 0.210 1.00 0.00 N ATOM 1153 CA LYS A 69 5.141 10.212 0.427 1.00 0.00 C ATOM 1154 C LYS A 69 5.645 8.780 0.292 1.00 0.00 C ATOM 1155 O LYS A 69 6.688 8.524 -0.315 1.00 0.00 O ATOM 1156 CB LYS A 69 5.489 10.765 1.810 1.00 0.00 C ATOM 1157 CG LYS A 69 4.744 12.043 2.161 1.00 0.00 C ATOM 1158 CD LYS A 69 5.455 12.819 3.256 1.00 0.00 C ATOM 1159 CE LYS A 69 5.155 12.248 4.633 1.00 0.00 C ATOM 1160 NZ LYS A 69 6.395 12.042 5.431 1.00 0.00 N ATOM 0 H LYS A 69 3.149 10.418 1.051 1.00 0.00 H new ATOM 0 HA LYS A 69 5.626 10.835 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.267 10.007 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.561 10.955 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.652 12.667 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.732 11.798 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.530 12.797 3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.148 13.864 3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.487 12.923 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.630 11.299 4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.147 11.652 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.022 11.378 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.883 12.952 5.555 1.00 0.00 H new ATOM 1174 N HIS A 70 4.880 7.848 0.855 1.00 0.00 N ATOM 1175 CA HIS A 70 5.227 6.436 0.794 1.00 0.00 C ATOM 1176 C HIS A 70 5.163 5.934 -0.644 1.00 0.00 C ATOM 1177 O HIS A 70 5.858 4.989 -1.010 1.00 0.00 O ATOM 1178 CB HIS A 70 4.284 5.619 1.679 1.00 0.00 C ATOM 1179 CG HIS A 70 4.437 5.910 3.141 1.00 0.00 C ATOM 1180 ND1 HIS A 70 4.140 4.993 4.126 1.00 0.00 N ATOM 1181 CD2 HIS A 70 4.862 7.025 3.782 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.372 5.532 5.311 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.812 6.763 5.129 1.00 0.00 N ATOM 0 H HIS A 70 4.016 8.048 1.358 1.00 0.00 H new ATOM 0 HA HIS A 70 6.246 6.315 1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.255 5.820 1.382 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.464 4.558 1.507 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.795 4.047 3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.181 7.948 3.320 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.226 5.048 6.265 1.00 0.00 H new ATOM 1192 N GLN A 71 4.330 6.582 -1.459 1.00 0.00 N ATOM 1193 CA GLN A 71 4.190 6.205 -2.859 1.00 0.00 C ATOM 1194 C GLN A 71 5.523 6.358 -3.579 1.00 0.00 C ATOM 1195 O GLN A 71 5.991 5.438 -4.252 1.00 0.00 O ATOM 1196 CB GLN A 71 3.125 7.069 -3.540 1.00 0.00 C ATOM 1197 CG GLN A 71 1.701 6.663 -3.198 1.00 0.00 C ATOM 1198 CD GLN A 71 0.713 7.029 -4.288 1.00 0.00 C ATOM 1199 OE1 GLN A 71 1.034 6.978 -5.475 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -0.497 7.402 -3.889 1.00 0.00 N ATOM 0 H GLN A 71 3.746 7.367 -1.172 1.00 0.00 H new ATOM 0 HA GLN A 71 3.878 5.162 -2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.276 8.110 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.260 7.013 -4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.665 5.587 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.404 7.144 -2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.720 7.430 -2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.204 7.661 -4.577 1.00 0.00 H new ATOM 1209 N VAL A 72 6.140 7.524 -3.420 1.00 0.00 N ATOM 1210 CA VAL A 72 7.429 7.794 -4.039 1.00 0.00 C ATOM 1211 C VAL A 72 8.474 6.816 -3.525 1.00 0.00 C ATOM 1212 O VAL A 72 9.128 6.123 -4.306 1.00 0.00 O ATOM 1213 CB VAL A 72 7.914 9.226 -3.756 1.00 0.00 C ATOM 1214 CG1 VAL A 72 9.043 9.603 -4.701 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.765 10.219 -3.861 1.00 0.00 C ATOM 0 H VAL A 72 5.767 8.296 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 72 7.297 7.678 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 72 8.296 9.262 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.373 10.619 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.877 8.914 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.690 9.546 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.133 11.224 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.344 10.184 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.994 9.961 -3.136 1.00 0.00 H new ATOM 1225 N GLU A 73 8.616 6.750 -2.203 1.00 0.00 N ATOM 1226 CA GLU A 73 9.574 5.839 -1.589 1.00 0.00 C ATOM 1227 C GLU A 73 9.283 4.415 -2.035 1.00 0.00 C ATOM 1228 O GLU A 73 10.198 3.624 -2.269 1.00 0.00 O ATOM 1229 CB GLU A 73 9.517 5.941 -0.064 1.00 0.00 C ATOM 1230 CG GLU A 73 10.876 5.804 0.605 1.00 0.00 C ATOM 1231 CD GLU A 73 11.242 4.360 0.889 1.00 0.00 C ATOM 1232 OE1 GLU A 73 10.414 3.645 1.492 1.00 0.00 O ATOM 1233 OE2 GLU A 73 12.357 3.945 0.509 1.00 0.00 O ATOM 0 H GLU A 73 8.082 7.314 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 73 10.578 6.117 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.080 6.901 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.853 5.167 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.638 6.249 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.875 6.366 1.539 1.00 0.00 H new ATOM 1240 N TYR A 74 7.998 4.105 -2.184 1.00 0.00 N ATOM 1241 CA TYR A 74 7.586 2.790 -2.643 1.00 0.00 C ATOM 1242 C TYR A 74 8.174 2.545 -4.025 1.00 0.00 C ATOM 1243 O TYR A 74 8.538 1.421 -4.373 1.00 0.00 O ATOM 1244 CB TYR A 74 6.059 2.691 -2.688 1.00 0.00 C ATOM 1245 CG TYR A 74 5.544 1.337 -3.122 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.496 0.989 -4.466 1.00 0.00 C ATOM 1247 CD2 TYR A 74 5.099 0.410 -2.188 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.020 -0.246 -4.866 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.623 -0.827 -2.579 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.584 -1.149 -3.919 1.00 0.00 C ATOM 1251 OH TYR A 74 4.108 -2.379 -4.314 1.00 0.00 O ATOM 0 H TYR A 74 7.229 4.747 -1.993 1.00 0.00 H new ATOM 0 HA TYR A 74 7.951 2.032 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.661 2.920 -1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.676 3.450 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.836 1.694 -5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.126 0.660 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.990 -0.502 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.284 -1.537 -1.839 1.00 0.00 H new ATOM 0 HH TYR A 74 4.062 -2.413 -5.292 1.00 0.00 H new ATOM 1261 N ASP A 75 8.283 3.624 -4.798 1.00 0.00 N ATOM 1262 CA ASP A 75 8.851 3.552 -6.135 1.00 0.00 C ATOM 1263 C ASP A 75 10.362 3.362 -6.054 1.00 0.00 C ATOM 1264 O ASP A 75 10.956 2.667 -6.880 1.00 0.00 O ATOM 1265 CB ASP A 75 8.521 4.821 -6.924 1.00 0.00 C ATOM 1266 CG ASP A 75 8.137 4.525 -8.360 1.00 0.00 C ATOM 1267 OD1 ASP A 75 7.212 3.714 -8.573 1.00 0.00 O ATOM 1268 OD2 ASP A 75 8.761 5.106 -9.274 1.00 0.00 O ATOM 0 H ASP A 75 7.984 4.558 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 75 8.415 2.697 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.703 5.348 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.383 5.488 -6.911 1.00 0.00 H new ATOM 1273 N GLN A 76 10.979 3.986 -5.051 1.00 0.00 N ATOM 1274 CA GLN A 76 12.421 3.884 -4.861 1.00 0.00 C ATOM 1275 C GLN A 76 12.822 2.456 -4.503 1.00 0.00 C ATOM 1276 O GLN A 76 13.897 1.990 -4.879 1.00 0.00 O ATOM 1277 CB GLN A 76 12.881 4.844 -3.763 1.00 0.00 C ATOM 1278 CG GLN A 76 12.425 6.279 -3.979 1.00 0.00 C ATOM 1279 CD GLN A 76 12.938 6.863 -5.280 1.00 0.00 C ATOM 1280 OE1 GLN A 76 13.998 7.489 -5.318 1.00 0.00 O ATOM 1281 NE2 GLN A 76 12.185 6.663 -6.356 1.00 0.00 N ATOM 0 H GLN A 76 10.502 4.566 -4.360 1.00 0.00 H new ATOM 0 HA GLN A 76 12.906 4.156 -5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.504 4.492 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.969 4.822 -3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.336 6.315 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.769 6.895 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.314 6.138 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.478 7.034 -7.260 1.00 0.00 H new ATOM 1290 N LEU A 77 11.950 1.768 -3.773 1.00 0.00 N ATOM 1291 CA LEU A 77 12.212 0.394 -3.364 1.00 0.00 C ATOM 1292 C LEU A 77 12.009 -0.569 -4.528 1.00 0.00 C ATOM 1293 O LEU A 77 12.793 -1.499 -4.723 1.00 0.00 O ATOM 1294 CB LEU A 77 11.301 0.001 -2.198 1.00 0.00 C ATOM 1295 CG LEU A 77 11.259 1.003 -1.043 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.867 1.057 -0.432 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.291 0.638 0.014 1.00 0.00 C ATOM 0 H LEU A 77 11.056 2.140 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 77 13.251 0.332 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.288 -0.135 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.628 -0.964 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 77 11.500 1.991 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.857 1.775 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.148 1.364 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.597 0.071 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.248 1.361 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.079 -0.359 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.286 0.650 -0.430 1.00 0.00 H new ATOM 1398 N ARG B 103 -6.130 7.183 5.627 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.501 6.755 5.881 1.00 0.00 C ATOM 1400 C ARG B 103 -7.868 5.558 5.012 1.00 0.00 C ATOM 1401 O ARG B 103 -8.553 4.639 5.462 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.471 7.907 5.618 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.778 7.789 6.387 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.707 8.515 7.721 1.00 0.00 C ATOM 1405 NE ARG B 103 -10.931 9.262 8.004 1.00 0.00 N ATOM 1406 CZ ARG B 103 -12.050 8.705 8.462 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -12.105 7.400 8.693 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -13.118 9.458 8.693 1.00 0.00 N ATOM 0 HA ARG B 103 -7.575 6.457 6.927 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.987 8.847 5.883 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.689 7.951 4.551 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.591 8.202 5.790 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -10.008 6.737 6.556 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -9.531 7.793 8.518 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -8.858 9.199 7.717 1.00 0.00 H new ATOM 0 HE ARG B 103 -10.928 10.269 7.841 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -11.287 6.816 8.520 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -12.966 6.980 9.044 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -13.081 10.462 8.520 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -13.976 9.032 9.044 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.410 5.575 3.765 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.692 4.491 2.829 1.00 0.00 C ATOM 1424 C TYR B 104 -7.240 3.147 3.395 1.00 0.00 C ATOM 1425 O TYR B 104 -7.998 2.178 3.399 1.00 0.00 O ATOM 1426 CB TYR B 104 -6.998 4.753 1.490 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.586 5.916 0.724 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -8.900 5.884 0.276 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -6.827 7.047 0.450 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -9.441 6.946 -0.425 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -7.361 8.113 -0.249 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.667 8.057 -0.685 1.00 0.00 C ATOM 1433 OH TYR B 104 -9.204 9.116 -1.381 1.00 0.00 O ATOM 0 H TYR B 104 -6.841 6.328 3.378 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.770 4.453 2.672 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -5.940 4.944 1.669 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.060 3.855 0.876 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -9.509 5.016 0.478 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -5.803 7.094 0.789 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -10.465 6.905 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -6.758 8.985 -0.452 1.00 0.00 H new ATOM 0 HH TYR B 104 -8.529 9.819 -1.479 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.999 3.096 3.872 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.452 1.870 4.440 1.00 0.00 C ATOM 1445 C LEU B 105 -6.294 1.399 5.622 1.00 0.00 C ATOM 1446 O LEU B 105 -6.720 0.247 5.672 1.00 0.00 O ATOM 1447 CB LEU B 105 -4.002 2.090 4.883 1.00 0.00 C ATOM 1448 CG LEU B 105 -3.048 0.939 4.564 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.423 1.126 3.190 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -1.967 0.831 5.632 1.00 0.00 C ATOM 0 H LEU B 105 -5.356 3.888 3.876 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.474 1.098 3.670 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.626 2.996 4.408 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.989 2.265 5.959 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.620 0.011 4.557 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.747 0.296 2.982 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -3.208 1.153 2.434 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.865 2.062 3.168 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.297 0.007 5.389 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.399 1.761 5.671 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.430 0.648 6.602 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.532 2.300 6.570 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.327 1.979 7.749 1.00 0.00 C ATOM 1464 C ARG B 106 -8.747 1.585 7.355 1.00 0.00 C ATOM 1465 O ARG B 106 -9.379 0.762 8.016 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.361 3.171 8.706 1.00 0.00 C ATOM 1467 CG ARG B 106 -7.448 2.772 10.171 1.00 0.00 C ATOM 1468 CD ARG B 106 -7.941 3.923 11.036 1.00 0.00 C ATOM 1469 NE ARG B 106 -9.058 3.525 11.889 1.00 0.00 N ATOM 1470 CZ ARG B 106 -10.312 3.400 11.458 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -10.610 3.636 10.186 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -11.269 3.037 12.301 1.00 0.00 N ATOM 0 H ARG B 106 -6.185 3.259 6.544 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.861 1.132 8.253 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.466 3.774 8.555 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.215 3.801 8.458 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -8.121 1.921 10.278 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.467 2.448 10.519 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -7.122 4.287 11.657 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -8.249 4.751 10.397 1.00 0.00 H new ATOM 0 HE ARG B 106 -8.866 3.332 12.872 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -9.877 3.914 9.534 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -11.572 3.539 9.861 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -11.045 2.854 13.279 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -12.230 2.941 11.971 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.243 2.180 6.274 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.589 1.889 5.794 1.00 0.00 C ATOM 1488 C GLU B 107 -10.740 0.406 5.461 1.00 0.00 C ATOM 1489 O GLU B 107 -11.596 -0.280 6.015 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.909 2.741 4.562 1.00 0.00 C ATOM 1491 CG GLU B 107 -12.092 3.674 4.758 1.00 0.00 C ATOM 1492 CD GLU B 107 -11.696 4.993 5.393 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -11.416 5.006 6.609 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -11.668 6.012 4.672 1.00 0.00 O ATOM 0 H GLU B 107 -8.734 2.865 5.715 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.294 2.135 6.588 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -10.031 3.331 4.301 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -11.113 2.082 3.718 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.562 3.866 3.794 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.837 3.183 5.384 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.900 -0.079 4.552 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.937 -1.480 4.148 1.00 0.00 C ATOM 1503 C ALA B 108 -9.391 -2.378 5.251 1.00 0.00 C ATOM 1504 O ALA B 108 -9.962 -3.428 5.553 1.00 0.00 O ATOM 1505 CB ALA B 108 -9.148 -1.680 2.862 1.00 0.00 C ATOM 0 H ALA B 108 -9.186 0.477 4.082 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.976 -1.756 3.968 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -9.184 -2.730 2.572 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.582 -1.070 2.070 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -8.111 -1.383 3.021 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.283 -1.958 5.854 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.657 -2.718 6.927 1.00 0.00 C ATOM 1513 C ILE B 109 -8.632 -2.930 8.084 1.00 0.00 C ATOM 1514 O ILE B 109 -8.892 -4.063 8.494 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.387 -2.002 7.443 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.286 -2.050 6.382 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.893 -2.626 8.743 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.080 -1.204 6.724 1.00 0.00 C ATOM 0 H ILE B 109 -7.800 -1.092 5.616 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.374 -3.689 6.521 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.643 -0.962 7.644 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.968 -3.084 6.247 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.696 -1.715 5.429 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -4.999 -2.102 9.082 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.670 -2.546 9.503 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.656 -3.677 8.575 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.340 -1.286 5.928 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.384 -0.163 6.831 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.645 -1.552 7.661 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.174 -1.833 8.603 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.121 -1.903 9.708 1.00 0.00 C ATOM 1532 C GLN B 110 -11.415 -2.566 9.263 1.00 0.00 C ATOM 1533 O GLN B 110 -12.057 -3.275 10.037 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.404 -0.507 10.263 1.00 0.00 C ATOM 1535 CG GLN B 110 -10.870 -0.511 11.709 1.00 0.00 C ATOM 1536 CD GLN B 110 -9.729 -0.704 12.688 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -9.618 -1.747 13.333 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -8.873 0.305 12.805 1.00 0.00 N ATOM 0 H GLN B 110 -8.974 -0.888 8.277 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.677 -2.507 10.499 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -9.500 0.097 10.183 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.164 -0.027 9.646 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -11.376 0.430 11.927 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -11.602 -1.306 11.849 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -9.003 1.151 12.251 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -8.085 0.234 13.449 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.791 -2.349 8.006 1.00 0.00 N ATOM 1548 CA GLU B 111 -13.004 -2.951 7.472 1.00 0.00 C ATOM 1549 C GLU B 111 -12.948 -4.458 7.664 1.00 0.00 C ATOM 1550 O GLU B 111 -13.908 -5.076 8.127 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.168 -2.611 5.989 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.074 -1.417 5.735 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.412 -1.814 5.145 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -15.460 -2.124 3.935 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -16.415 -1.817 5.891 1.00 0.00 O ATOM 0 H GLU B 111 -11.277 -1.766 7.345 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.864 -2.550 8.008 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.186 -2.409 5.560 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -13.571 -3.480 5.468 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.238 -0.885 6.672 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -13.574 -0.724 5.058 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.800 -5.036 7.336 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.596 -6.465 7.496 1.00 0.00 C ATOM 1564 C TYR B 112 -11.576 -6.815 8.975 1.00 0.00 C ATOM 1565 O TYR B 112 -12.083 -7.861 9.381 1.00 0.00 O ATOM 1566 CB TYR B 112 -10.290 -6.903 6.830 1.00 0.00 C ATOM 1567 CG TYR B 112 -10.379 -8.255 6.156 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -11.478 -8.592 5.378 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -9.362 -9.191 6.300 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -11.562 -9.827 4.761 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -9.440 -10.427 5.685 1.00 0.00 C ATOM 1572 CZ TYR B 112 -10.542 -10.740 4.918 1.00 0.00 C ATOM 1573 OH TYR B 112 -10.622 -11.968 4.304 1.00 0.00 O ATOM 0 H TYR B 112 -10.997 -4.534 6.957 1.00 0.00 H new ATOM 0 HA TYR B 112 -12.417 -6.994 7.012 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -10.000 -6.156 6.091 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.500 -6.932 7.581 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -12.280 -7.879 5.253 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -8.498 -8.949 6.901 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -12.424 -10.075 4.159 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -8.641 -11.144 5.805 1.00 0.00 H new ATOM 0 HH TYR B 112 -9.821 -12.492 4.515 1.00 0.00 H new ATOM 1583 N ASP B 113 -11.010 -5.921 9.784 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.960 -6.136 11.221 1.00 0.00 C ATOM 1585 C ASP B 113 -12.375 -6.293 11.767 1.00 0.00 C ATOM 1586 O ASP B 113 -12.595 -6.962 12.778 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.251 -4.972 11.916 1.00 0.00 C ATOM 1588 CG ASP B 113 -8.781 -4.890 11.552 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -8.197 -5.938 11.200 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -8.213 -3.779 11.618 1.00 0.00 O ATOM 0 H ASP B 113 -10.584 -5.050 9.468 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.396 -7.047 11.420 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -10.742 -4.037 11.645 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -10.349 -5.083 12.996 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.334 -5.677 11.077 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.733 -5.751 11.473 1.00 0.00 C ATOM 1597 C ASN B 114 -15.366 -7.046 10.975 1.00 0.00 C ATOM 1598 O ASN B 114 -16.182 -7.656 11.667 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.506 -4.549 10.929 1.00 0.00 C ATOM 1600 CG ASN B 114 -15.516 -3.382 11.897 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -16.561 -3.017 12.436 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -14.350 -2.789 12.123 1.00 0.00 N ATOM 0 H ASN B 114 -13.163 -5.121 10.239 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.779 -5.737 12.562 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -15.062 -4.231 9.986 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.532 -4.848 10.713 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -14.296 -1.998 12.765 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -13.508 -3.124 11.655 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.981 -7.465 9.771 1.00 0.00 N ATOM 1610 CA ILE B 115 -15.512 -8.692 9.186 1.00 0.00 C ATOM 1611 C ILE B 115 -15.247 -9.888 10.093 1.00 0.00 C ATOM 1612 O ILE B 115 -16.101 -10.761 10.254 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.902 -8.969 7.796 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.102 -7.767 6.872 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.519 -10.217 7.185 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -16.547 -7.333 6.745 1.00 0.00 C ATOM 0 H ILE B 115 -14.306 -6.974 9.184 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.587 -8.550 9.076 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.832 -9.135 7.917 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -14.512 -6.930 7.245 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -14.717 -8.012 5.882 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -15.078 -10.398 6.205 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -15.327 -11.072 7.833 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.595 -10.076 7.078 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -16.612 -6.476 6.075 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -17.140 -8.154 6.342 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -16.931 -7.056 7.727 1.00 0.00 H new