USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=15 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 -14:sc= -2.86! USER MOD Set 1.2: A 70 HIS : no HE2:sc= -0.546 K(o=-3.4,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00843) USER MOD Single : A 19 ASN : amide:sc= -0.0124 K(o=-0.012,f=-1.4!) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= -1.98 (180deg=-2.59) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 36 THR OG1 : rot 140:sc= -0.018 USER MOD Single : A 37 MET CE :methyl 176:sc= 0 (180deg=-0.0313) USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.052) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= -0.0274 (180deg=-0.255) USER MOD Single : A 71 GLN : amide:sc= -1.09 K(o=-1.1,f=-2!) USER MOD Single : A 74 TYR OH : rot 4:sc= -2.19! USER MOD Single : A 76 GLN : amide:sc= -0.0296 K(o=-0.03,f=-1.2!) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.68) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -15.718 3.346 2.745 1.00 0.00 N ATOM 33 CA ARG A 3 -16.271 1.997 2.714 1.00 0.00 C ATOM 34 C ARG A 3 -15.984 1.323 1.377 1.00 0.00 C ATOM 35 O ARG A 3 -15.661 0.137 1.326 1.00 0.00 O ATOM 36 CB ARG A 3 -17.780 2.036 2.967 1.00 0.00 C ATOM 37 CG ARG A 3 -18.536 2.944 2.012 1.00 0.00 C ATOM 38 CD ARG A 3 -20.040 2.789 2.170 1.00 0.00 C ATOM 39 NE ARG A 3 -20.778 3.530 1.149 1.00 0.00 N ATOM 40 CZ ARG A 3 -20.989 4.845 1.196 1.00 0.00 C ATOM 41 NH1 ARG A 3 -20.521 5.564 2.206 1.00 0.00 N ATOM 42 NH2 ARG A 3 -21.671 5.440 0.226 1.00 0.00 N ATOM 0 HA ARG A 3 -15.793 1.416 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.179 1.025 2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.960 2.369 3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.255 3.981 2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.251 2.713 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.303 1.733 2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.338 3.139 3.158 1.00 0.00 H new ATOM 0 HE ARG A 3 -21.153 3.011 0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.995 5.111 2.954 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.686 6.570 2.235 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.033 4.891 -0.554 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.834 6.446 0.260 1.00 0.00 H new ATOM 56 N LYS A 4 -16.103 2.088 0.297 1.00 0.00 N ATOM 57 CA LYS A 4 -15.855 1.564 -1.042 1.00 0.00 C ATOM 58 C LYS A 4 -14.371 1.311 -1.259 1.00 0.00 C ATOM 59 O LYS A 4 -13.990 0.390 -1.983 1.00 0.00 O ATOM 60 CB LYS A 4 -16.383 2.534 -2.100 1.00 0.00 C ATOM 61 CG LYS A 4 -16.843 1.851 -3.378 1.00 0.00 C ATOM 62 CD LYS A 4 -18.358 1.872 -3.510 1.00 0.00 C ATOM 63 CE LYS A 4 -18.839 3.149 -4.182 1.00 0.00 C ATOM 64 NZ LYS A 4 -20.322 3.180 -4.319 1.00 0.00 N ATOM 0 H LYS A 4 -16.369 3.072 0.322 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.383 0.615 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.216 3.098 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.601 3.253 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.395 2.348 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.491 0.820 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.686 1.009 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.812 1.785 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.510 4.011 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.381 3.235 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.609 4.066 -4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.634 2.372 -4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.759 3.124 -3.377 1.00 0.00 H new ATOM 78 N VAL A 5 -13.531 2.123 -0.625 1.00 0.00 N ATOM 79 CA VAL A 5 -12.088 1.969 -0.751 1.00 0.00 C ATOM 80 C VAL A 5 -11.683 0.534 -0.437 1.00 0.00 C ATOM 81 O VAL A 5 -10.757 -0.010 -1.039 1.00 0.00 O ATOM 82 CB VAL A 5 -11.330 2.926 0.189 1.00 0.00 C ATOM 83 CG1 VAL A 5 -9.833 2.864 -0.075 1.00 0.00 C ATOM 84 CG2 VAL A 5 -11.849 4.347 0.035 1.00 0.00 C ATOM 0 H VAL A 5 -13.824 2.891 -0.021 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.823 2.214 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.505 2.609 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.316 3.547 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.476 1.848 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.633 3.152 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.302 5.009 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.707 4.677 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.910 4.376 0.282 1.00 0.00 H new ATOM 94 N ALA A 6 -12.398 -0.074 0.503 1.00 0.00 N ATOM 95 CA ALA A 6 -12.135 -1.450 0.892 1.00 0.00 C ATOM 96 C ALA A 6 -12.600 -2.413 -0.193 1.00 0.00 C ATOM 97 O ALA A 6 -11.935 -3.409 -0.479 1.00 0.00 O ATOM 98 CB ALA A 6 -12.822 -1.767 2.213 1.00 0.00 C ATOM 0 H ALA A 6 -13.165 0.368 1.009 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.059 -1.572 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.616 -2.801 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.445 -1.100 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.898 -1.627 2.106 1.00 0.00 H new ATOM 104 N ARG A 7 -13.745 -2.108 -0.795 1.00 0.00 N ATOM 105 CA ARG A 7 -14.299 -2.945 -1.854 1.00 0.00 C ATOM 106 C ARG A 7 -13.427 -2.893 -3.099 1.00 0.00 C ATOM 107 O ARG A 7 -13.259 -3.895 -3.795 1.00 0.00 O ATOM 108 CB ARG A 7 -15.725 -2.505 -2.190 1.00 0.00 C ATOM 109 CG ARG A 7 -16.796 -3.285 -1.444 1.00 0.00 C ATOM 110 CD ARG A 7 -17.288 -2.529 -0.220 1.00 0.00 C ATOM 111 NE ARG A 7 -17.393 -3.394 0.953 1.00 0.00 N ATOM 112 CZ ARG A 7 -17.793 -2.974 2.151 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.128 -1.703 2.338 1.00 0.00 N ATOM 114 NH2 ARG A 7 -17.859 -3.826 3.164 1.00 0.00 N ATOM 0 H ARG A 7 -14.307 -1.288 -0.568 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.323 -3.974 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.833 -1.445 -1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.887 -2.616 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.635 -3.483 -2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.397 -4.252 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.606 -1.706 -0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.262 -2.088 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.145 -4.378 0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.080 -1.043 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.434 -1.386 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -17.603 -4.804 3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -18.166 -3.504 4.082 1.00 0.00 H new ATOM 128 N GLU A 8 -12.869 -1.721 -3.377 1.00 0.00 N ATOM 129 CA GLU A 8 -12.009 -1.545 -4.540 1.00 0.00 C ATOM 130 C GLU A 8 -10.681 -2.262 -4.334 1.00 0.00 C ATOM 131 O GLU A 8 -10.241 -3.031 -5.189 1.00 0.00 O ATOM 132 CB GLU A 8 -11.767 -0.057 -4.805 1.00 0.00 C ATOM 133 CG GLU A 8 -12.972 0.663 -5.387 1.00 0.00 C ATOM 134 CD GLU A 8 -13.326 0.178 -6.780 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.746 0.700 -7.755 1.00 0.00 O ATOM 136 OE2 GLU A 8 -14.181 -0.724 -6.895 1.00 0.00 O ATOM 0 H GLU A 8 -12.996 -0.880 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.510 -1.978 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.481 0.428 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.926 0.049 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.829 0.520 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.770 1.734 -5.420 1.00 0.00 H new ATOM 143 N PHE A 9 -10.054 -2.015 -3.190 1.00 0.00 N ATOM 144 CA PHE A 9 -8.784 -2.648 -2.868 1.00 0.00 C ATOM 145 C PHE A 9 -8.971 -4.150 -2.692 1.00 0.00 C ATOM 146 O PHE A 9 -8.097 -4.943 -3.042 1.00 0.00 O ATOM 147 CB PHE A 9 -8.192 -2.039 -1.593 1.00 0.00 C ATOM 148 CG PHE A 9 -6.895 -2.670 -1.171 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.851 -2.807 -2.071 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.722 -3.125 0.125 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.658 -3.387 -1.686 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.531 -3.708 0.516 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.497 -3.838 -0.390 1.00 0.00 C ATOM 0 H PHE A 9 -10.405 -1.382 -2.472 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.093 -2.474 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.033 -0.972 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.915 -2.138 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.971 -2.456 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.526 -3.023 0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.852 -3.488 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.409 -4.061 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.565 -4.291 -0.086 1.00 0.00 H new ATOM 163 N ARG A 10 -10.124 -4.533 -2.152 1.00 0.00 N ATOM 164 CA ARG A 10 -10.437 -5.939 -1.933 1.00 0.00 C ATOM 165 C ARG A 10 -10.774 -6.628 -3.251 1.00 0.00 C ATOM 166 O ARG A 10 -10.318 -7.740 -3.513 1.00 0.00 O ATOM 167 CB ARG A 10 -11.608 -6.078 -0.957 1.00 0.00 C ATOM 168 CG ARG A 10 -11.963 -7.521 -0.633 1.00 0.00 C ATOM 169 CD ARG A 10 -13.023 -8.060 -1.580 1.00 0.00 C ATOM 170 NE ARG A 10 -14.365 -7.973 -1.007 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.846 -8.833 -0.113 1.00 0.00 C ATOM 172 NH1 ARG A 10 -14.101 -9.846 0.313 1.00 0.00 N ATOM 173 NH2 ARG A 10 -16.078 -8.683 0.355 1.00 0.00 N ATOM 0 H ARG A 10 -10.857 -3.888 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.558 -6.420 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.363 -5.557 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.483 -5.584 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.068 -8.140 -0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.324 -7.586 0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.991 -7.501 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.799 -9.099 -1.822 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.968 -7.208 -1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.154 -9.968 -0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.476 -10.502 0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.656 -7.908 0.029 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.447 -9.342 1.040 1.00 0.00 H new ATOM 187 N HIS A 11 -11.574 -5.959 -4.077 1.00 0.00 N ATOM 188 CA HIS A 11 -11.967 -6.513 -5.368 1.00 0.00 C ATOM 189 C HIS A 11 -10.775 -6.582 -6.315 1.00 0.00 C ATOM 190 O HIS A 11 -10.566 -7.588 -6.992 1.00 0.00 O ATOM 191 CB HIS A 11 -13.086 -5.677 -5.991 1.00 0.00 C ATOM 192 CG HIS A 11 -13.764 -6.349 -7.145 1.00 0.00 C ATOM 193 ND1 HIS A 11 -14.887 -5.837 -7.760 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.471 -7.500 -7.797 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.256 -6.646 -8.738 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.413 -7.660 -8.782 1.00 0.00 N ATOM 0 H HIS A 11 -11.961 -5.037 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.335 -7.526 -5.203 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -13.828 -5.451 -5.226 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.674 -4.725 -6.326 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -12.649 -8.167 -7.582 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.104 -6.501 -9.391 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.455 -8.437 -9.441 1.00 0.00 H new ATOM 205 N LYS A 12 -9.990 -5.509 -6.357 1.00 0.00 N ATOM 206 CA LYS A 12 -8.816 -5.462 -7.220 1.00 0.00 C ATOM 207 C LYS A 12 -7.851 -6.588 -6.864 1.00 0.00 C ATOM 208 O LYS A 12 -7.524 -7.433 -7.699 1.00 0.00 O ATOM 209 CB LYS A 12 -8.111 -4.109 -7.089 1.00 0.00 C ATOM 210 CG LYS A 12 -8.568 -3.084 -8.114 1.00 0.00 C ATOM 211 CD LYS A 12 -10.024 -2.699 -7.908 1.00 0.00 C ATOM 212 CE LYS A 12 -10.676 -2.265 -9.211 1.00 0.00 C ATOM 213 NZ LYS A 12 -11.020 -3.429 -10.074 1.00 0.00 N ATOM 0 H LYS A 12 -10.145 -4.665 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.142 -5.590 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.285 -3.713 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.036 -4.257 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.942 -2.194 -8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.436 -3.488 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.570 -3.546 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.088 -1.890 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.579 -1.695 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.002 -1.600 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.055 -3.126 -11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.297 -4.169 -9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.948 -3.807 -9.794 1.00 0.00 H new ATOM 227 N VAL A 13 -7.414 -6.604 -5.608 1.00 0.00 N ATOM 228 CA VAL A 13 -6.500 -7.633 -5.131 1.00 0.00 C ATOM 229 C VAL A 13 -7.062 -9.020 -5.417 1.00 0.00 C ATOM 230 O VAL A 13 -6.325 -9.943 -5.758 1.00 0.00 O ATOM 231 CB VAL A 13 -6.225 -7.490 -3.620 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.288 -8.586 -3.134 1.00 0.00 C ATOM 233 CG2 VAL A 13 -5.649 -6.116 -3.313 1.00 0.00 C ATOM 0 H VAL A 13 -7.679 -5.916 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.559 -7.505 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.171 -7.595 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.109 -8.464 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.741 -9.560 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.341 -8.520 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.461 -6.031 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.714 -5.983 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.359 -5.347 -3.618 1.00 0.00 H new ATOM 243 N ASP A 14 -8.377 -9.155 -5.281 1.00 0.00 N ATOM 244 CA ASP A 14 -9.042 -10.425 -5.531 1.00 0.00 C ATOM 245 C ASP A 14 -9.079 -10.730 -7.025 1.00 0.00 C ATOM 246 O ASP A 14 -9.105 -11.894 -7.430 1.00 0.00 O ATOM 247 CB ASP A 14 -10.465 -10.400 -4.968 1.00 0.00 C ATOM 248 CG ASP A 14 -11.143 -11.754 -5.048 1.00 0.00 C ATOM 249 OD1 ASP A 14 -10.768 -12.654 -4.268 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.050 -11.913 -5.892 1.00 0.00 O ATOM 0 H ASP A 14 -9.002 -8.400 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.476 -11.210 -5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.436 -10.072 -3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.057 -9.667 -5.517 1.00 0.00 H new ATOM 255 N PHE A 15 -9.074 -9.680 -7.843 1.00 0.00 N ATOM 256 CA PHE A 15 -9.097 -9.838 -9.291 1.00 0.00 C ATOM 257 C PHE A 15 -7.777 -10.417 -9.781 1.00 0.00 C ATOM 258 O PHE A 15 -7.731 -11.146 -10.772 1.00 0.00 O ATOM 259 CB PHE A 15 -9.363 -8.491 -9.967 1.00 0.00 C ATOM 260 CG PHE A 15 -10.578 -8.490 -10.852 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.765 -9.064 -10.424 1.00 0.00 C ATOM 262 CD2 PHE A 15 -10.533 -7.914 -12.111 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.883 -9.064 -11.236 1.00 0.00 C ATOM 264 CE2 PHE A 15 -11.648 -7.910 -12.928 1.00 0.00 C ATOM 265 CZ PHE A 15 -12.824 -8.486 -12.489 1.00 0.00 C ATOM 0 H PHE A 15 -9.054 -8.711 -7.525 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.900 -10.527 -9.552 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.483 -7.726 -9.199 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.492 -8.214 -10.560 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.817 -9.516 -9.445 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -9.616 -7.463 -12.459 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -13.802 -9.515 -10.891 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.600 -7.457 -13.907 1.00 0.00 H new ATOM 0 HZ PHE A 15 -13.697 -8.484 -13.125 1.00 0.00 H new ATOM 275 N LEU A 16 -6.705 -10.075 -9.080 1.00 0.00 N ATOM 276 CA LEU A 16 -5.371 -10.541 -9.433 1.00 0.00 C ATOM 277 C LEU A 16 -5.037 -11.839 -8.706 1.00 0.00 C ATOM 278 O LEU A 16 -4.621 -12.822 -9.321 1.00 0.00 O ATOM 279 CB LEU A 16 -4.327 -9.470 -9.095 1.00 0.00 C ATOM 280 CG LEU A 16 -4.836 -8.023 -9.130 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.208 -7.208 -8.009 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.541 -7.389 -10.481 1.00 0.00 C ATOM 0 H LEU A 16 -6.734 -9.472 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.353 -10.732 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.930 -9.674 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.496 -9.562 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.916 -8.034 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.581 -6.185 -8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.468 -7.651 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.124 -7.204 -8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.908 -6.363 -10.489 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.465 -7.391 -10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.038 -7.959 -11.266 1.00 0.00 H new ATOM 294 N ILE A 17 -5.227 -11.831 -7.394 1.00 0.00 N ATOM 295 CA ILE A 17 -4.954 -13.001 -6.567 1.00 0.00 C ATOM 296 C ILE A 17 -5.973 -14.101 -6.831 1.00 0.00 C ATOM 297 O ILE A 17 -5.609 -15.250 -7.083 1.00 0.00 O ATOM 298 CB ILE A 17 -4.937 -12.616 -5.064 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.591 -12.006 -4.701 1.00 0.00 C ATOM 300 CG2 ILE A 17 -5.210 -13.811 -4.162 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.403 -10.594 -5.210 1.00 0.00 C ATOM 0 H ILE A 17 -5.571 -11.023 -6.876 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.968 -13.383 -6.833 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.734 -11.890 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.482 -12.009 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.797 -12.636 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.188 -13.493 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.191 -14.226 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.447 -14.572 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.421 -10.228 -4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.479 -10.586 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.174 -9.949 -4.788 1.00 0.00 H new ATOM 313 N GLU A 18 -7.246 -13.742 -6.780 1.00 0.00 N ATOM 314 CA GLU A 18 -8.326 -14.684 -7.017 1.00 0.00 C ATOM 315 C GLU A 18 -8.243 -15.903 -6.109 1.00 0.00 C ATOM 316 O GLU A 18 -9.044 -16.832 -6.212 1.00 0.00 O ATOM 317 CB GLU A 18 -8.330 -15.109 -8.477 1.00 0.00 C ATOM 318 CG GLU A 18 -7.991 -13.987 -9.446 1.00 0.00 C ATOM 319 CD GLU A 18 -9.033 -13.816 -10.534 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.062 -13.158 -10.272 1.00 0.00 O ATOM 321 OE2 GLU A 18 -8.819 -14.340 -11.648 1.00 0.00 O ATOM 0 H GLU A 18 -7.558 -12.793 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.261 -14.176 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.614 -15.920 -8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.314 -15.507 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.893 -13.053 -8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.023 -14.189 -9.905 1.00 0.00 H new ATOM 328 N ASN A 19 -7.275 -15.882 -5.221 1.00 0.00 N ATOM 329 CA ASN A 19 -7.064 -16.967 -4.271 1.00 0.00 C ATOM 330 C ASN A 19 -7.338 -16.497 -2.846 1.00 0.00 C ATOM 331 O ASN A 19 -7.008 -15.370 -2.480 1.00 0.00 O ATOM 332 CB ASN A 19 -5.636 -17.505 -4.383 1.00 0.00 C ATOM 333 CG ASN A 19 -5.402 -18.260 -5.675 1.00 0.00 C ATOM 334 OD1 ASN A 19 -6.343 -18.740 -6.306 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.140 -18.369 -6.078 1.00 0.00 N ATOM 0 H ASN A 19 -6.608 -15.115 -5.132 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.761 -17.770 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.932 -16.675 -4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.432 -18.163 -3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.921 -18.866 -6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.390 -17.956 -5.524 1.00 0.00 H new ATOM 342 N ASP A 20 -7.947 -17.366 -2.045 1.00 0.00 N ATOM 343 CA ASP A 20 -8.268 -17.033 -0.662 1.00 0.00 C ATOM 344 C ASP A 20 -7.013 -17.019 0.206 1.00 0.00 C ATOM 345 O ASP A 20 -6.759 -16.057 0.929 1.00 0.00 O ATOM 346 CB ASP A 20 -9.285 -18.027 -0.097 1.00 0.00 C ATOM 347 CG ASP A 20 -10.705 -17.503 -0.168 1.00 0.00 C ATOM 348 OD1 ASP A 20 -11.011 -16.741 -1.109 1.00 0.00 O ATOM 349 OD2 ASP A 20 -11.512 -17.853 0.718 1.00 0.00 O ATOM 0 H ASP A 20 -8.228 -18.304 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.703 -16.034 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.218 -18.964 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.034 -18.250 0.940 1.00 0.00 H new ATOM 354 N ALA A 21 -6.231 -18.092 0.130 1.00 0.00 N ATOM 355 CA ALA A 21 -5.002 -18.197 0.912 1.00 0.00 C ATOM 356 C ALA A 21 -4.090 -17.004 0.662 1.00 0.00 C ATOM 357 O ALA A 21 -3.539 -16.418 1.596 1.00 0.00 O ATOM 358 CB ALA A 21 -4.280 -19.495 0.584 1.00 0.00 C ATOM 0 H ALA A 21 -6.425 -18.899 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.270 -18.200 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.365 -19.562 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.926 -20.340 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.030 -19.514 -0.477 1.00 0.00 H new ATOM 364 N GLU A 22 -3.938 -16.646 -0.606 1.00 0.00 N ATOM 365 CA GLU A 22 -3.096 -15.520 -0.987 1.00 0.00 C ATOM 366 C GLU A 22 -3.621 -14.223 -0.377 1.00 0.00 C ATOM 367 O GLU A 22 -2.859 -13.444 0.194 1.00 0.00 O ATOM 368 CB GLU A 22 -3.029 -15.398 -2.510 1.00 0.00 C ATOM 369 CG GLU A 22 -2.061 -16.375 -3.156 1.00 0.00 C ATOM 370 CD GLU A 22 -0.612 -15.970 -2.973 1.00 0.00 C ATOM 371 OE1 GLU A 22 -0.220 -15.666 -1.825 1.00 0.00 O ATOM 372 OE2 GLU A 22 0.133 -15.955 -3.976 1.00 0.00 O ATOM 0 H GLU A 22 -4.388 -17.120 -1.389 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.091 -15.699 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.025 -15.559 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.736 -14.382 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.213 -17.367 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.282 -16.448 -4.221 1.00 0.00 H new ATOM 379 N LYS A 23 -4.929 -14.002 -0.493 1.00 0.00 N ATOM 380 CA LYS A 23 -5.549 -12.804 0.060 1.00 0.00 C ATOM 381 C LYS A 23 -5.394 -12.780 1.572 1.00 0.00 C ATOM 382 O LYS A 23 -5.291 -11.715 2.178 1.00 0.00 O ATOM 383 CB LYS A 23 -7.029 -12.739 -0.319 1.00 0.00 C ATOM 384 CG LYS A 23 -7.558 -11.321 -0.461 1.00 0.00 C ATOM 385 CD LYS A 23 -9.070 -11.271 -0.311 1.00 0.00 C ATOM 386 CE LYS A 23 -9.773 -11.597 -1.619 1.00 0.00 C ATOM 387 NZ LYS A 23 -11.032 -10.818 -1.782 1.00 0.00 N ATOM 0 H LYS A 23 -5.576 -14.635 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.046 -11.933 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.179 -13.270 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.613 -13.262 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.096 -10.682 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.275 -10.922 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.384 -11.978 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.370 -10.279 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.104 -11.385 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.998 -12.663 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.597 -11.229 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.577 -10.850 -0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.802 -9.830 -2.011 1.00 0.00 H new ATOM 401 N ASP A 24 -5.360 -13.962 2.178 1.00 0.00 N ATOM 402 CA ASP A 24 -5.195 -14.067 3.618 1.00 0.00 C ATOM 403 C ASP A 24 -3.851 -13.476 4.025 1.00 0.00 C ATOM 404 O ASP A 24 -3.769 -12.659 4.943 1.00 0.00 O ATOM 405 CB ASP A 24 -5.287 -15.526 4.067 1.00 0.00 C ATOM 406 CG ASP A 24 -6.672 -15.892 4.563 1.00 0.00 C ATOM 407 OD1 ASP A 24 -7.296 -15.055 5.249 1.00 0.00 O ATOM 408 OD2 ASP A 24 -7.134 -17.014 4.267 1.00 0.00 O ATOM 0 H ASP A 24 -5.444 -14.856 1.694 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.995 -13.509 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.018 -16.177 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.561 -15.706 4.860 1.00 0.00 H new ATOM 413 N TYR A 25 -2.800 -13.888 3.321 1.00 0.00 N ATOM 414 CA TYR A 25 -1.458 -13.391 3.595 1.00 0.00 C ATOM 415 C TYR A 25 -1.349 -11.914 3.249 1.00 0.00 C ATOM 416 O TYR A 25 -0.845 -11.123 4.047 1.00 0.00 O ATOM 417 CB TYR A 25 -0.414 -14.199 2.822 1.00 0.00 C ATOM 418 CG TYR A 25 1.012 -13.856 3.188 1.00 0.00 C ATOM 419 CD1 TYR A 25 1.667 -14.522 4.215 1.00 0.00 C ATOM 420 CD2 TYR A 25 1.704 -12.865 2.503 1.00 0.00 C ATOM 421 CE1 TYR A 25 2.971 -14.211 4.550 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.009 -12.548 2.831 1.00 0.00 C ATOM 423 CZ TYR A 25 3.636 -13.224 3.855 1.00 0.00 C ATOM 424 OH TYR A 25 4.934 -12.911 4.186 1.00 0.00 O ATOM 0 H TYR A 25 -2.853 -14.563 2.558 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.265 -13.509 4.661 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.581 -15.261 3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.556 -14.032 1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.149 -15.296 4.761 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.214 -12.333 1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.466 -14.738 5.352 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.534 -11.776 2.288 1.00 0.00 H new ATOM 0 HH TYR A 25 5.258 -12.195 3.600 1.00 0.00 H new ATOM 434 N LEU A 26 -1.842 -11.532 2.071 1.00 0.00 N ATOM 435 CA LEU A 26 -1.801 -10.130 1.676 1.00 0.00 C ATOM 436 C LEU A 26 -2.527 -9.315 2.726 1.00 0.00 C ATOM 437 O LEU A 26 -2.055 -8.259 3.150 1.00 0.00 O ATOM 438 CB LEU A 26 -2.436 -9.921 0.299 1.00 0.00 C ATOM 439 CG LEU A 26 -2.103 -8.583 -0.368 1.00 0.00 C ATOM 440 CD1 LEU A 26 -2.141 -8.714 -1.882 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.065 -7.498 0.098 1.00 0.00 C ATOM 0 H LEU A 26 -2.265 -12.161 1.388 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.763 -9.806 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.115 -10.728 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.518 -10.002 0.398 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.093 -8.297 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.902 -7.753 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.411 -9.458 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.137 -9.025 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.812 -6.555 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.085 -7.779 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.987 -7.382 1.179 1.00 0.00 H new ATOM 453 N TYR A 27 -3.657 -9.841 3.182 1.00 0.00 N ATOM 454 CA TYR A 27 -4.415 -9.185 4.232 1.00 0.00 C ATOM 455 C TYR A 27 -3.535 -9.083 5.474 1.00 0.00 C ATOM 456 O TYR A 27 -3.599 -8.105 6.219 1.00 0.00 O ATOM 457 CB TYR A 27 -5.694 -9.964 4.553 1.00 0.00 C ATOM 458 CG TYR A 27 -6.928 -9.400 3.885 1.00 0.00 C ATOM 459 CD1 TYR A 27 -7.238 -8.050 3.982 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.784 -10.219 3.159 1.00 0.00 C ATOM 461 CE1 TYR A 27 -8.366 -7.530 3.373 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.913 -9.707 2.547 1.00 0.00 C ATOM 463 CZ TYR A 27 -9.199 -8.363 2.657 1.00 0.00 C ATOM 464 OH TYR A 27 -10.322 -7.850 2.049 1.00 0.00 O ATOM 0 H TYR A 27 -4.064 -10.713 2.843 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.709 -8.190 3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.565 -11.001 4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.845 -9.969 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.587 -7.395 4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.564 -11.273 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.593 -6.477 3.458 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.568 -10.357 1.985 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.800 -8.569 1.584 1.00 0.00 H new ATOM 474 N ASP A 28 -2.689 -10.101 5.670 1.00 0.00 N ATOM 475 CA ASP A 28 -1.774 -10.119 6.798 1.00 0.00 C ATOM 476 C ASP A 28 -0.657 -9.102 6.585 1.00 0.00 C ATOM 477 O ASP A 28 -0.158 -8.506 7.538 1.00 0.00 O ATOM 478 CB ASP A 28 -1.182 -11.517 6.984 1.00 0.00 C ATOM 479 CG ASP A 28 -0.544 -11.699 8.347 1.00 0.00 C ATOM 480 OD1 ASP A 28 0.490 -11.050 8.608 1.00 0.00 O ATOM 481 OD2 ASP A 28 -1.079 -12.488 9.153 1.00 0.00 O ATOM 0 H ASP A 28 -2.625 -10.916 5.060 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.328 -9.853 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.967 -12.261 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.436 -11.699 6.210 1.00 0.00 H new ATOM 486 N VAL A 29 -0.273 -8.901 5.322 1.00 0.00 N ATOM 487 CA VAL A 29 0.776 -7.946 4.992 1.00 0.00 C ATOM 488 C VAL A 29 0.361 -6.536 5.399 1.00 0.00 C ATOM 489 O VAL A 29 1.106 -5.832 6.082 1.00 0.00 O ATOM 490 CB VAL A 29 1.107 -7.969 3.487 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.153 -6.917 3.144 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.580 -9.352 3.067 1.00 0.00 C ATOM 0 H VAL A 29 -0.673 -9.386 4.519 1.00 0.00 H new ATOM 0 HA VAL A 29 1.668 -8.237 5.546 1.00 0.00 H new ATOM 0 HB VAL A 29 0.197 -7.733 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.369 -6.954 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.774 -5.929 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.066 -7.115 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.809 -9.350 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.475 -9.617 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.795 -10.081 3.268 1.00 0.00 H new ATOM 502 N LEU A 30 -0.834 -6.134 4.982 1.00 0.00 N ATOM 503 CA LEU A 30 -1.350 -4.812 5.313 1.00 0.00 C ATOM 504 C LEU A 30 -1.484 -4.659 6.822 1.00 0.00 C ATOM 505 O LEU A 30 -1.123 -3.627 7.389 1.00 0.00 O ATOM 506 CB LEU A 30 -2.706 -4.586 4.638 1.00 0.00 C ATOM 507 CG LEU A 30 -2.710 -4.766 3.118 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.875 -5.644 2.684 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.769 -3.415 2.419 1.00 0.00 C ATOM 0 H LEU A 30 -1.462 -6.704 4.415 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.647 -4.064 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.430 -5.275 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.047 -3.577 4.870 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.783 -5.261 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.860 -5.759 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.788 -6.623 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.813 -5.179 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.771 -3.564 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.678 -2.892 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.900 -2.821 2.702 1.00 0.00 H new ATOM 521 N ARG A 31 -1.997 -5.700 7.466 1.00 0.00 N ATOM 522 CA ARG A 31 -2.173 -5.695 8.913 1.00 0.00 C ATOM 523 C ARG A 31 -0.832 -5.503 9.614 1.00 0.00 C ATOM 524 O ARG A 31 -0.745 -4.813 10.629 1.00 0.00 O ATOM 525 CB ARG A 31 -2.828 -6.999 9.374 1.00 0.00 C ATOM 526 CG ARG A 31 -4.164 -6.797 10.070 1.00 0.00 C ATOM 527 CD ARG A 31 -4.272 -7.646 11.327 1.00 0.00 C ATOM 528 NE ARG A 31 -4.843 -8.962 11.053 1.00 0.00 N ATOM 529 CZ ARG A 31 -5.365 -9.754 11.987 1.00 0.00 C ATOM 530 NH1 ARG A 31 -5.388 -9.367 13.257 1.00 0.00 N ATOM 531 NH2 ARG A 31 -5.863 -10.935 11.652 1.00 0.00 N ATOM 0 H ARG A 31 -2.299 -6.560 7.008 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.825 -4.863 9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.972 -7.648 8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.149 -7.517 10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.285 -5.745 10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.974 -7.052 9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.283 -7.765 11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.890 -7.129 12.061 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.842 -9.294 10.089 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.005 -8.459 13.521 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.789 -9.977 13.969 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.847 -11.238 10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.263 -11.542 12.368 1.00 0.00 H new ATOM 545 N MET A 32 0.211 -6.115 9.061 1.00 0.00 N ATOM 546 CA MET A 32 1.547 -6.006 9.628 1.00 0.00 C ATOM 547 C MET A 32 2.170 -4.659 9.265 1.00 0.00 C ATOM 548 O MET A 32 2.917 -4.075 10.049 1.00 0.00 O ATOM 549 CB MET A 32 2.422 -7.172 9.136 1.00 0.00 C ATOM 550 CG MET A 32 3.805 -6.765 8.646 1.00 0.00 C ATOM 551 SD MET A 32 4.928 -8.166 8.495 1.00 0.00 S ATOM 552 CE MET A 32 5.582 -8.258 10.159 1.00 0.00 C ATOM 0 H MET A 32 0.155 -6.691 8.221 1.00 0.00 H new ATOM 0 HA MET A 32 1.480 -6.062 10.714 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.536 -7.891 9.947 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.901 -7.684 8.327 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.713 -6.272 7.678 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.231 -6.036 9.336 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.295 -9.080 10.225 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.084 -7.322 10.405 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.766 -8.428 10.862 1.00 0.00 H new ATOM 562 N TYR A 33 1.847 -4.171 8.069 1.00 0.00 N ATOM 563 CA TYR A 33 2.367 -2.892 7.602 1.00 0.00 C ATOM 564 C TYR A 33 1.933 -1.765 8.533 1.00 0.00 C ATOM 565 O TYR A 33 2.663 -0.795 8.734 1.00 0.00 O ATOM 566 CB TYR A 33 1.883 -2.613 6.175 1.00 0.00 C ATOM 567 CG TYR A 33 2.251 -1.238 5.659 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.474 -0.657 5.979 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.377 -0.521 4.852 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.812 0.598 5.510 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.708 0.734 4.378 1.00 0.00 C ATOM 572 CZ TYR A 33 2.926 1.288 4.710 1.00 0.00 C ATOM 573 OH TYR A 33 3.260 2.538 4.241 1.00 0.00 O ATOM 0 H TYR A 33 1.229 -4.642 7.409 1.00 0.00 H new ATOM 0 HA TYR A 33 3.456 -2.942 7.602 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.302 -3.365 5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.799 -2.725 6.141 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.171 -1.196 6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.422 -0.952 4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.765 1.036 5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.017 1.278 3.751 1.00 0.00 H new ATOM 0 HH TYR A 33 4.035 2.877 4.736 1.00 0.00 H new ATOM 583 N HIS A 34 0.739 -1.902 9.099 1.00 0.00 N ATOM 584 CA HIS A 34 0.207 -0.896 10.011 1.00 0.00 C ATOM 585 C HIS A 34 1.021 -0.849 11.302 1.00 0.00 C ATOM 586 O HIS A 34 1.204 0.217 11.892 1.00 0.00 O ATOM 587 CB HIS A 34 -1.259 -1.194 10.329 1.00 0.00 C ATOM 588 CG HIS A 34 -1.983 -0.038 10.946 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.012 0.195 12.305 1.00 0.00 N ATOM 590 CD2 HIS A 34 -2.709 0.956 10.380 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.725 1.280 12.549 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.158 1.761 11.399 1.00 0.00 N ATOM 0 H HIS A 34 0.122 -2.699 8.943 1.00 0.00 H new ATOM 0 HA HIS A 34 0.276 0.076 9.524 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.770 -1.484 9.411 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.310 -2.047 11.006 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.554 -0.381 13.012 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.899 1.090 9.325 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.920 1.702 13.524 1.00 0.00 H new ATOM 601 N GLN A 35 1.506 -2.008 11.732 1.00 0.00 N ATOM 602 CA GLN A 35 2.299 -2.098 12.954 1.00 0.00 C ATOM 603 C GLN A 35 3.731 -1.633 12.712 1.00 0.00 C ATOM 604 O GLN A 35 4.236 -0.754 13.408 1.00 0.00 O ATOM 605 CB GLN A 35 2.300 -3.534 13.482 1.00 0.00 C ATOM 606 CG GLN A 35 2.380 -3.625 14.998 1.00 0.00 C ATOM 607 CD GLN A 35 3.002 -4.924 15.472 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.689 -5.999 14.959 1.00 0.00 O ATOM 609 NE2 GLN A 35 3.889 -4.832 16.456 1.00 0.00 N ATOM 0 H GLN A 35 1.365 -2.898 11.254 1.00 0.00 H new ATOM 0 HA GLN A 35 1.846 -1.444 13.699 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.394 -4.037 13.143 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.144 -4.071 13.049 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.964 -2.787 15.378 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.378 -3.532 15.417 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.119 -3.920 16.852 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.341 -5.673 16.816 1.00 0.00 H new ATOM 618 N THR A 36 4.376 -2.234 11.722 1.00 0.00 N ATOM 619 CA THR A 36 5.752 -1.890 11.383 1.00 0.00 C ATOM 620 C THR A 36 5.831 -0.494 10.773 1.00 0.00 C ATOM 621 O THR A 36 6.804 0.229 10.979 1.00 0.00 O ATOM 622 CB THR A 36 6.333 -2.920 10.411 1.00 0.00 C ATOM 623 OG1 THR A 36 7.706 -2.665 10.172 1.00 0.00 O ATOM 624 CG2 THR A 36 5.630 -2.944 9.071 1.00 0.00 C ATOM 0 H THR A 36 3.968 -2.964 11.138 1.00 0.00 H new ATOM 0 HA THR A 36 6.339 -1.897 12.302 1.00 0.00 H new ATOM 0 HB THR A 36 6.189 -3.886 10.895 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.196 -3.513 10.140 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.092 -3.696 8.431 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.578 -3.188 9.216 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.713 -1.965 8.599 1.00 0.00 H new ATOM 632 N MET A 37 4.801 -0.122 10.021 1.00 0.00 N ATOM 633 CA MET A 37 4.755 1.187 9.381 1.00 0.00 C ATOM 634 C MET A 37 5.934 1.370 8.429 1.00 0.00 C ATOM 635 O MET A 37 6.529 2.445 8.362 1.00 0.00 O ATOM 636 CB MET A 37 4.758 2.293 10.438 1.00 0.00 C ATOM 637 CG MET A 37 3.736 3.388 10.173 1.00 0.00 C ATOM 638 SD MET A 37 2.201 3.142 11.087 1.00 0.00 S ATOM 639 CE MET A 37 1.039 2.918 9.744 1.00 0.00 C ATOM 0 H MET A 37 3.987 -0.709 9.840 1.00 0.00 H new ATOM 0 HA MET A 37 3.834 1.250 8.802 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.561 1.852 11.415 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.752 2.738 10.484 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.165 4.353 10.444 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.517 3.425 9.106 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.055 2.684 10.150 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.981 3.834 9.156 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.373 2.099 9.107 1.00 0.00 H new ATOM 649 N ASP A 38 6.265 0.313 7.694 1.00 0.00 N ATOM 650 CA ASP A 38 7.372 0.358 6.746 1.00 0.00 C ATOM 651 C ASP A 38 6.935 -0.133 5.372 1.00 0.00 C ATOM 652 O ASP A 38 6.656 -1.318 5.183 1.00 0.00 O ATOM 653 CB ASP A 38 8.543 -0.487 7.257 1.00 0.00 C ATOM 654 CG ASP A 38 9.841 0.296 7.304 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.334 0.694 6.228 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.365 0.510 8.418 1.00 0.00 O ATOM 0 H ASP A 38 5.782 -0.585 7.737 1.00 0.00 H new ATOM 0 HA ASP A 38 7.695 1.395 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.310 -0.861 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.669 -1.357 6.612 1.00 0.00 H new ATOM 661 N VAL A 39 6.880 0.785 4.412 1.00 0.00 N ATOM 662 CA VAL A 39 6.481 0.447 3.053 1.00 0.00 C ATOM 663 C VAL A 39 7.385 -0.632 2.465 1.00 0.00 C ATOM 664 O VAL A 39 6.985 -1.370 1.564 1.00 0.00 O ATOM 665 CB VAL A 39 6.512 1.685 2.135 1.00 0.00 C ATOM 666 CG1 VAL A 39 5.970 1.343 0.755 1.00 0.00 C ATOM 667 CG2 VAL A 39 5.728 2.831 2.756 1.00 0.00 C ATOM 0 H VAL A 39 7.107 1.769 4.552 1.00 0.00 H new ATOM 0 HA VAL A 39 5.460 0.069 3.108 1.00 0.00 H new ATOM 0 HB VAL A 39 7.548 2.004 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.000 2.230 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.580 0.558 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.941 0.996 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.761 3.696 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.692 2.526 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.168 3.094 3.718 1.00 0.00 H new ATOM 677 N ALA A 40 8.603 -0.729 2.991 1.00 0.00 N ATOM 678 CA ALA A 40 9.556 -1.724 2.526 1.00 0.00 C ATOM 679 C ALA A 40 9.153 -3.109 3.006 1.00 0.00 C ATOM 680 O ALA A 40 9.494 -4.118 2.390 1.00 0.00 O ATOM 681 CB ALA A 40 10.958 -1.381 3.005 1.00 0.00 C ATOM 0 H ALA A 40 8.950 -0.129 3.739 1.00 0.00 H new ATOM 0 HA ALA A 40 9.554 -1.723 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.659 -2.136 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.247 -0.405 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.974 -1.357 4.095 1.00 0.00 H new ATOM 687 N VAL A 41 8.418 -3.148 4.114 1.00 0.00 N ATOM 688 CA VAL A 41 7.963 -4.407 4.676 1.00 0.00 C ATOM 689 C VAL A 41 6.754 -4.934 3.908 1.00 0.00 C ATOM 690 O VAL A 41 6.695 -6.114 3.562 1.00 0.00 O ATOM 691 CB VAL A 41 7.601 -4.264 6.168 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.088 -5.582 6.731 1.00 0.00 C ATOM 693 CG2 VAL A 41 8.804 -3.774 6.961 1.00 0.00 C ATOM 0 H VAL A 41 8.127 -2.322 4.636 1.00 0.00 H new ATOM 0 HA VAL A 41 8.786 -5.116 4.587 1.00 0.00 H new ATOM 0 HB VAL A 41 6.803 -3.526 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.839 -5.455 7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.198 -5.890 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.859 -6.346 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.532 -3.678 8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.621 -4.488 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.121 -2.804 6.578 1.00 0.00 H new ATOM 703 N LEU A 42 5.797 -4.053 3.637 1.00 0.00 N ATOM 704 CA LEU A 42 4.599 -4.439 2.903 1.00 0.00 C ATOM 705 C LEU A 42 4.973 -4.943 1.512 1.00 0.00 C ATOM 706 O LEU A 42 4.421 -5.933 1.030 1.00 0.00 O ATOM 707 CB LEU A 42 3.616 -3.259 2.814 1.00 0.00 C ATOM 708 CG LEU A 42 3.685 -2.423 1.531 1.00 0.00 C ATOM 709 CD1 LEU A 42 2.939 -3.115 0.397 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.115 -1.031 1.772 1.00 0.00 C ATOM 0 H LEU A 42 5.828 -3.072 3.913 1.00 0.00 H new ATOM 0 HA LEU A 42 4.105 -5.249 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.603 -3.647 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.793 -2.600 3.664 1.00 0.00 H new ATOM 0 HG LEU A 42 4.731 -2.324 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.000 -2.505 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.389 -4.090 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.894 -3.246 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.171 -0.450 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.074 -1.113 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.691 -0.532 2.552 1.00 0.00 H new ATOM 722 N VAL A 43 5.920 -4.261 0.877 1.00 0.00 N ATOM 723 CA VAL A 43 6.374 -4.647 -0.452 1.00 0.00 C ATOM 724 C VAL A 43 7.049 -6.013 -0.410 1.00 0.00 C ATOM 725 O VAL A 43 6.728 -6.898 -1.201 1.00 0.00 O ATOM 726 CB VAL A 43 7.355 -3.611 -1.042 1.00 0.00 C ATOM 727 CG1 VAL A 43 7.760 -3.998 -2.457 1.00 0.00 C ATOM 728 CG2 VAL A 43 6.742 -2.220 -1.021 1.00 0.00 C ATOM 0 H VAL A 43 6.387 -3.440 1.261 1.00 0.00 H new ATOM 0 HA VAL A 43 5.493 -4.693 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 43 8.252 -3.599 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.451 -3.255 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.245 -4.974 -2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.874 -4.043 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.449 -1.504 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.827 -2.217 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.510 -1.940 0.007 1.00 0.00 H new ATOM 738 N GLY A 44 7.981 -6.180 0.527 1.00 0.00 N ATOM 739 CA GLY A 44 8.681 -7.445 0.656 1.00 0.00 C ATOM 740 C GLY A 44 7.729 -8.620 0.761 1.00 0.00 C ATOM 741 O GLY A 44 7.937 -9.657 0.129 1.00 0.00 O ATOM 0 H GLY A 44 8.262 -5.463 1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.335 -7.586 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.319 -7.417 1.539 1.00 0.00 H new ATOM 745 N ASP A 45 6.676 -8.454 1.553 1.00 0.00 N ATOM 746 CA ASP A 45 5.685 -9.505 1.726 1.00 0.00 C ATOM 747 C ASP A 45 4.939 -9.756 0.421 1.00 0.00 C ATOM 748 O ASP A 45 4.950 -10.870 -0.113 1.00 0.00 O ATOM 749 CB ASP A 45 4.694 -9.130 2.830 1.00 0.00 C ATOM 750 CG ASP A 45 5.380 -8.845 4.151 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.149 -9.711 4.620 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.148 -7.757 4.719 1.00 0.00 O ATOM 0 H ASP A 45 6.488 -7.603 2.084 1.00 0.00 H new ATOM 0 HA ASP A 45 6.204 -10.419 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.126 -8.252 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.979 -9.942 2.963 1.00 0.00 H new ATOM 757 N LEU A 46 4.296 -8.715 -0.103 1.00 0.00 N ATOM 758 CA LEU A 46 3.559 -8.846 -1.350 1.00 0.00 C ATOM 759 C LEU A 46 4.484 -9.310 -2.472 1.00 0.00 C ATOM 760 O LEU A 46 4.034 -9.919 -3.437 1.00 0.00 O ATOM 761 CB LEU A 46 2.832 -7.541 -1.712 1.00 0.00 C ATOM 762 CG LEU A 46 3.661 -6.456 -2.405 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.676 -6.672 -3.912 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.087 -5.084 -2.084 1.00 0.00 C ATOM 0 H LEU A 46 4.272 -7.784 0.313 1.00 0.00 H new ATOM 0 HA LEU A 46 2.791 -9.608 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.990 -7.790 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.417 -7.118 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 46 4.685 -6.514 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.270 -5.891 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.112 -7.646 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.656 -6.635 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.681 -4.316 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.057 -5.029 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.112 -4.922 -1.006 1.00 0.00 H new ATOM 776 N LYS A 47 5.786 -9.058 -2.322 1.00 0.00 N ATOM 777 CA LYS A 47 6.755 -9.500 -3.314 1.00 0.00 C ATOM 778 C LYS A 47 6.792 -11.023 -3.329 1.00 0.00 C ATOM 779 O LYS A 47 6.648 -11.655 -4.376 1.00 0.00 O ATOM 780 CB LYS A 47 8.152 -8.947 -2.998 1.00 0.00 C ATOM 781 CG LYS A 47 8.421 -7.558 -3.564 1.00 0.00 C ATOM 782 CD LYS A 47 7.862 -7.399 -4.966 1.00 0.00 C ATOM 783 CE LYS A 47 8.719 -6.470 -5.812 1.00 0.00 C ATOM 784 NZ LYS A 47 9.018 -7.055 -7.149 1.00 0.00 N ATOM 0 H LYS A 47 6.186 -8.555 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 47 6.456 -9.125 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.281 -8.917 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.900 -9.637 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.978 -6.807 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.495 -7.374 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.801 -8.376 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.846 -7.007 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.205 -5.517 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.653 -6.261 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.197 -6.290 -7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.859 -7.662 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.207 -7.622 -7.469 1.00 0.00 H new ATOM 798 N LEU A 48 6.949 -11.608 -2.143 1.00 0.00 N ATOM 799 CA LEU A 48 6.965 -13.058 -2.009 1.00 0.00 C ATOM 800 C LEU A 48 5.658 -13.634 -2.544 1.00 0.00 C ATOM 801 O LEU A 48 5.609 -14.769 -3.016 1.00 0.00 O ATOM 802 CB LEU A 48 7.157 -13.459 -0.545 1.00 0.00 C ATOM 803 CG LEU A 48 8.583 -13.317 -0.015 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.585 -13.268 1.505 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.453 -14.461 -0.514 1.00 0.00 C ATOM 0 H LEU A 48 7.066 -11.100 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 48 7.799 -13.458 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.495 -12.851 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.843 -14.496 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 48 8.998 -12.381 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.609 -13.167 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.996 -12.415 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.151 -14.187 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.465 -14.344 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.040 -15.409 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.478 -14.451 -1.604 1.00 0.00 H new ATOM 817 N VAL A 49 4.606 -12.821 -2.482 1.00 0.00 N ATOM 818 CA VAL A 49 3.294 -13.217 -2.973 1.00 0.00 C ATOM 819 C VAL A 49 3.174 -12.904 -4.459 1.00 0.00 C ATOM 820 O VAL A 49 2.390 -13.523 -5.180 1.00 0.00 O ATOM 821 CB VAL A 49 2.174 -12.471 -2.224 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.804 -12.946 -2.686 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.327 -12.641 -0.720 1.00 0.00 C ATOM 0 H VAL A 49 4.640 -11.879 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 49 3.188 -14.289 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 49 2.259 -11.409 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.029 -12.405 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.696 -12.760 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.705 -14.014 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.526 -12.106 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.275 -13.700 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.290 -12.239 -0.404 1.00 0.00 H new ATOM 833 N ILE A 50 3.950 -11.921 -4.901 1.00 0.00 N ATOM 834 CA ILE A 50 3.937 -11.487 -6.287 1.00 0.00 C ATOM 835 C ILE A 50 5.279 -11.758 -6.965 1.00 0.00 C ATOM 836 O ILE A 50 5.653 -11.097 -7.935 1.00 0.00 O ATOM 837 CB ILE A 50 3.568 -9.988 -6.363 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.092 -9.810 -6.016 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.867 -9.395 -7.730 1.00 0.00 C ATOM 840 CD1 ILE A 50 1.818 -8.621 -5.132 1.00 0.00 C ATOM 0 H ILE A 50 4.602 -11.406 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 50 3.182 -12.062 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 50 4.184 -9.451 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.521 -9.705 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.733 -10.711 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.592 -8.340 -7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.931 -9.494 -7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.293 -9.925 -8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.749 -8.558 -4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.361 -8.733 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.145 -7.711 -5.635 1.00 0.00 H new ATOM 852 N ASN A 51 5.995 -12.752 -6.459 1.00 0.00 N ATOM 853 CA ASN A 51 7.288 -13.134 -7.020 1.00 0.00 C ATOM 854 C ASN A 51 7.230 -13.200 -8.548 1.00 0.00 C ATOM 855 O ASN A 51 8.244 -13.033 -9.224 1.00 0.00 O ATOM 856 CB ASN A 51 7.728 -14.487 -6.457 1.00 0.00 C ATOM 857 CG ASN A 51 9.236 -14.645 -6.444 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.806 -15.333 -7.289 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.889 -14.009 -5.477 1.00 0.00 N ATOM 0 H ASN A 51 5.703 -13.312 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 51 8.015 -12.372 -6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.345 -14.597 -5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.287 -15.286 -7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.905 -14.081 -5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.375 -13.449 -4.797 1.00 0.00 H new ATOM 866 N GLU A 52 6.033 -13.437 -9.086 1.00 0.00 N ATOM 867 CA GLU A 52 5.846 -13.515 -10.530 1.00 0.00 C ATOM 868 C GLU A 52 5.393 -12.168 -11.086 1.00 0.00 C ATOM 869 O GLU A 52 4.723 -11.397 -10.400 1.00 0.00 O ATOM 870 CB GLU A 52 4.820 -14.595 -10.875 1.00 0.00 C ATOM 871 CG GLU A 52 5.039 -15.903 -10.134 1.00 0.00 C ATOM 872 CD GLU A 52 6.387 -16.527 -10.438 1.00 0.00 C ATOM 873 OE1 GLU A 52 7.414 -15.952 -10.021 1.00 0.00 O ATOM 874 OE2 GLU A 52 6.415 -17.590 -11.094 1.00 0.00 O ATOM 0 H GLU A 52 5.182 -13.578 -8.542 1.00 0.00 H new ATOM 0 HA GLU A 52 6.801 -13.777 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.822 -14.221 -10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.852 -14.785 -11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.958 -15.727 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.249 -16.605 -10.402 1.00 0.00 H new ATOM 881 N PRO A 53 5.761 -11.862 -12.342 1.00 0.00 N ATOM 882 CA PRO A 53 5.395 -10.596 -12.988 1.00 0.00 C ATOM 883 C PRO A 53 3.894 -10.470 -13.239 1.00 0.00 C ATOM 884 O PRO A 53 3.375 -9.368 -13.417 1.00 0.00 O ATOM 885 CB PRO A 53 6.154 -10.634 -14.313 1.00 0.00 C ATOM 886 CG PRO A 53 6.387 -12.076 -14.574 1.00 0.00 C ATOM 887 CD PRO A 53 6.565 -12.718 -13.228 1.00 0.00 C ATOM 0 HA PRO A 53 5.646 -9.741 -12.360 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.575 -10.175 -15.114 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.094 -10.087 -14.246 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.545 -12.517 -15.108 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.270 -12.222 -15.196 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.211 -13.749 -13.223 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.612 -12.739 -12.927 1.00 0.00 H new ATOM 895 N SER A 54 3.199 -11.603 -13.258 1.00 0.00 N ATOM 896 CA SER A 54 1.759 -11.609 -13.494 1.00 0.00 C ATOM 897 C SER A 54 1.008 -10.921 -12.357 1.00 0.00 C ATOM 898 O SER A 54 -0.013 -10.271 -12.579 1.00 0.00 O ATOM 899 CB SER A 54 1.255 -13.045 -13.656 1.00 0.00 C ATOM 900 OG SER A 54 0.240 -13.124 -14.642 1.00 0.00 O ATOM 0 H SER A 54 3.608 -12.526 -13.113 1.00 0.00 H new ATOM 0 HA SER A 54 1.569 -11.054 -14.413 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.085 -13.695 -13.932 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.869 -13.407 -12.703 1.00 0.00 H new ATOM 0 HG SER A 54 -0.063 -14.052 -14.726 1.00 0.00 H new ATOM 906 N ARG A 55 1.517 -11.074 -11.140 1.00 0.00 N ATOM 907 CA ARG A 55 0.893 -10.475 -9.963 1.00 0.00 C ATOM 908 C ARG A 55 1.399 -9.048 -9.714 1.00 0.00 C ATOM 909 O ARG A 55 1.149 -8.469 -8.658 1.00 0.00 O ATOM 910 CB ARG A 55 1.153 -11.354 -8.737 1.00 0.00 C ATOM 911 CG ARG A 55 0.711 -12.797 -8.923 1.00 0.00 C ATOM 912 CD ARG A 55 1.066 -13.648 -7.714 1.00 0.00 C ATOM 913 NE ARG A 55 0.439 -14.967 -7.770 1.00 0.00 N ATOM 914 CZ ARG A 55 0.811 -15.931 -8.608 1.00 0.00 C ATOM 915 NH1 ARG A 55 1.808 -15.730 -9.462 1.00 0.00 N ATOM 916 NH2 ARG A 55 0.187 -17.101 -8.593 1.00 0.00 N ATOM 0 H ARG A 55 2.362 -11.609 -10.941 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.180 -10.412 -10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.218 -11.335 -8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.632 -10.930 -7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.366 -12.830 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.184 -13.212 -9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.148 -13.763 -7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.752 -13.135 -6.805 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.330 -15.160 -7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.293 -14.833 -9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.089 -16.473 -10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.579 -17.262 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.473 -17.840 -9.236 1.00 0.00 H new ATOM 930 N LEU A 56 2.109 -8.488 -10.692 1.00 0.00 N ATOM 931 CA LEU A 56 2.654 -7.135 -10.584 1.00 0.00 C ATOM 932 C LEU A 56 1.598 -6.102 -10.161 1.00 0.00 C ATOM 933 O LEU A 56 1.862 -5.268 -9.295 1.00 0.00 O ATOM 934 CB LEU A 56 3.272 -6.713 -11.921 1.00 0.00 C ATOM 935 CG LEU A 56 4.734 -7.124 -12.122 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.059 -7.233 -13.607 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.668 -6.135 -11.439 1.00 0.00 C ATOM 0 H LEU A 56 2.322 -8.954 -11.574 1.00 0.00 H new ATOM 0 HA LEU A 56 3.416 -7.161 -9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.677 -7.139 -12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.200 -5.629 -12.010 1.00 0.00 H new ATOM 0 HG LEU A 56 4.881 -8.103 -11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.102 -7.526 -13.731 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.415 -7.983 -14.066 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.894 -6.269 -14.087 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.702 -6.445 -11.593 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.519 -5.142 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.453 -6.109 -10.371 1.00 0.00 H new ATOM 949 N PRO A 57 0.400 -6.123 -10.781 1.00 0.00 N ATOM 950 CA PRO A 57 -0.682 -5.174 -10.488 1.00 0.00 C ATOM 951 C PRO A 57 -0.738 -4.682 -9.037 1.00 0.00 C ATOM 952 O PRO A 57 -1.136 -3.545 -8.787 1.00 0.00 O ATOM 953 CB PRO A 57 -1.916 -5.996 -10.831 1.00 0.00 C ATOM 954 CG PRO A 57 -1.492 -6.811 -12.008 1.00 0.00 C ATOM 955 CD PRO A 57 -0.008 -7.062 -11.850 1.00 0.00 C ATOM 0 HA PRO A 57 -0.563 -4.246 -11.047 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.219 -6.628 -9.996 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.766 -5.358 -11.073 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.042 -7.751 -12.046 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.698 -6.283 -12.939 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.195 -8.096 -11.572 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.531 -6.870 -12.778 1.00 0.00 H new ATOM 963 N LEU A 58 -0.353 -5.524 -8.084 1.00 0.00 N ATOM 964 CA LEU A 58 -0.387 -5.134 -6.673 1.00 0.00 C ATOM 965 C LEU A 58 0.395 -3.845 -6.424 1.00 0.00 C ATOM 966 O LEU A 58 0.025 -3.048 -5.561 1.00 0.00 O ATOM 967 CB LEU A 58 0.140 -6.257 -5.783 1.00 0.00 C ATOM 968 CG LEU A 58 -0.799 -6.639 -4.634 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.605 -7.879 -4.991 1.00 0.00 C ATOM 970 CD2 LEU A 58 -0.017 -6.861 -3.348 1.00 0.00 C ATOM 0 H LEU A 58 -0.017 -6.471 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.429 -4.946 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.321 -7.139 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.101 -5.955 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.492 -5.813 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.266 -8.134 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.200 -7.682 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.927 -8.710 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.704 -7.131 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.704 -7.666 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.511 -5.946 -3.080 1.00 0.00 H new ATOM 982 N PHE A 59 1.467 -3.638 -7.177 1.00 0.00 N ATOM 983 CA PHE A 59 2.278 -2.436 -7.020 1.00 0.00 C ATOM 984 C PHE A 59 1.476 -1.192 -7.386 1.00 0.00 C ATOM 985 O PHE A 59 1.414 -0.231 -6.617 1.00 0.00 O ATOM 986 CB PHE A 59 3.537 -2.526 -7.884 1.00 0.00 C ATOM 987 CG PHE A 59 4.350 -3.758 -7.615 1.00 0.00 C ATOM 988 CD1 PHE A 59 5.013 -3.916 -6.409 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.444 -4.764 -8.564 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.754 -5.053 -6.154 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.181 -5.904 -8.314 1.00 0.00 C ATOM 992 CZ PHE A 59 5.839 -6.048 -7.108 1.00 0.00 C ATOM 0 H PHE A 59 1.794 -4.281 -7.898 1.00 0.00 H new ATOM 0 HA PHE A 59 2.575 -2.359 -5.974 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.250 -2.510 -8.936 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.155 -1.645 -7.708 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.950 -3.141 -5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.935 -4.655 -9.510 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.266 -5.164 -5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.243 -6.682 -9.060 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.419 -6.937 -6.911 1.00 0.00 H new ATOM 1002 N ASP A 60 0.853 -1.219 -8.560 1.00 0.00 N ATOM 1003 CA ASP A 60 0.045 -0.099 -9.026 1.00 0.00 C ATOM 1004 C ASP A 60 -1.290 -0.057 -8.289 1.00 0.00 C ATOM 1005 O ASP A 60 -1.886 1.005 -8.116 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.193 -0.205 -10.532 1.00 0.00 C ATOM 1007 CG ASP A 60 -0.480 1.139 -11.171 1.00 0.00 C ATOM 1008 OD1 ASP A 60 0.472 1.929 -11.341 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -1.655 1.402 -11.499 1.00 0.00 O ATOM 0 H ASP A 60 0.893 -2.007 -9.207 1.00 0.00 H new ATOM 0 HA ASP A 60 0.587 0.823 -8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.683 -0.648 -11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.030 -0.878 -10.718 1.00 0.00 H new ATOM 1014 N ALA A 61 -1.754 -1.227 -7.870 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.018 -1.349 -7.157 1.00 0.00 C ATOM 1016 C ALA A 61 -2.953 -0.715 -5.767 1.00 0.00 C ATOM 1017 O ALA A 61 -3.834 0.054 -5.388 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.407 -2.814 -7.050 1.00 0.00 C ATOM 0 H ALA A 61 -1.268 -2.112 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.776 -0.809 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.353 -2.901 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.514 -3.236 -8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.633 -3.357 -6.508 1.00 0.00 H new ATOM 1024 N ILE A 62 -1.925 -1.080 -5.005 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.743 -0.583 -3.638 1.00 0.00 C ATOM 1026 C ILE A 62 -1.224 0.858 -3.582 1.00 0.00 C ATOM 1027 O ILE A 62 -1.576 1.615 -2.677 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.777 -1.486 -2.845 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.146 -2.961 -3.023 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.791 -1.114 -1.370 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.034 -3.896 -2.882 1.00 0.00 C ATOM 0 H ILE A 62 -1.197 -1.725 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.735 -0.601 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 62 0.230 -1.333 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.903 -3.230 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.595 -3.100 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.104 -1.761 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.481 -0.076 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.798 -1.238 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.299 -4.925 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.783 -3.653 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.469 -3.785 -1.889 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.359 1.220 -4.525 1.00 0.00 N ATOM 1044 CA ARG A 63 0.242 2.560 -4.555 1.00 0.00 C ATOM 1045 C ARG A 63 -0.776 3.701 -4.386 1.00 0.00 C ATOM 1046 O ARG A 63 -0.461 4.716 -3.765 1.00 0.00 O ATOM 1047 CB ARG A 63 1.062 2.759 -5.837 1.00 0.00 C ATOM 1048 CG ARG A 63 0.239 3.057 -7.081 1.00 0.00 C ATOM 1049 CD ARG A 63 1.067 3.777 -8.135 1.00 0.00 C ATOM 1050 NE ARG A 63 0.316 4.846 -8.786 1.00 0.00 N ATOM 1051 CZ ARG A 63 0.794 5.586 -9.786 1.00 0.00 C ATOM 1052 NH1 ARG A 63 2.021 5.374 -10.247 1.00 0.00 N ATOM 1053 NH2 ARG A 63 0.046 6.537 -10.324 1.00 0.00 N ATOM 0 H ARG A 63 -0.055 0.607 -5.282 1.00 0.00 H new ATOM 0 HA ARG A 63 0.901 2.610 -3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.765 3.577 -5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.653 1.861 -6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.149 2.126 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.622 3.669 -6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.961 4.193 -7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.401 3.060 -8.885 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.630 5.038 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.601 4.643 -9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.383 5.942 -11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.897 6.704 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.413 7.103 -11.089 1.00 0.00 H new ATOM 1067 N PRO A 64 -1.998 3.580 -4.938 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.016 4.635 -4.835 1.00 0.00 C ATOM 1069 C PRO A 64 -3.541 4.818 -3.413 1.00 0.00 C ATOM 1070 O PRO A 64 -3.546 5.930 -2.885 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.141 4.152 -5.764 1.00 0.00 C ATOM 1072 CG PRO A 64 -3.534 3.065 -6.584 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.490 2.438 -5.709 1.00 0.00 C ATOM 0 HA PRO A 64 -2.607 5.608 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.993 3.784 -5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.506 4.963 -6.394 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.285 2.334 -6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.093 3.463 -7.498 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.910 1.665 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.697 1.971 -6.293 1.00 0.00 H new ATOM 1081 N LEU A 65 -3.990 3.727 -2.800 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.524 3.786 -1.441 1.00 0.00 C ATOM 1083 C LEU A 65 -3.452 4.236 -0.449 1.00 0.00 C ATOM 1084 O LEU A 65 -3.750 4.921 0.530 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.087 2.421 -1.029 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.042 1.359 -0.677 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.899 1.232 0.832 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.415 0.019 -1.295 1.00 0.00 C ATOM 0 H LEU A 65 -3.996 2.797 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.330 4.519 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.742 2.562 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.706 2.042 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.081 1.670 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.152 0.473 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.586 2.189 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.857 0.943 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.661 -0.724 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.385 -0.300 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.466 0.120 -2.379 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.210 3.852 -0.711 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.095 4.218 0.155 1.00 0.00 C ATOM 1102 C ILE A 66 -0.854 5.732 0.126 1.00 0.00 C ATOM 1103 O ILE A 66 -1.027 6.369 -0.912 1.00 0.00 O ATOM 1104 CB ILE A 66 0.195 3.457 -0.254 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.980 3.026 0.986 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.074 4.295 -1.177 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.746 1.735 0.796 1.00 0.00 C ATOM 0 H ILE A 66 -1.948 3.286 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.355 3.932 1.174 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.109 2.567 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.679 3.817 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.290 2.910 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.967 3.729 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.519 4.542 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.364 5.214 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.279 1.490 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.050 0.931 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.461 1.853 -0.018 1.00 0.00 H new ATOM 1119 N PRO A 67 -0.446 6.326 1.267 1.00 0.00 N ATOM 1120 CA PRO A 67 -0.175 7.764 1.364 1.00 0.00 C ATOM 1121 C PRO A 67 0.480 8.335 0.131 1.00 0.00 C ATOM 1122 O PRO A 67 1.385 7.747 -0.459 1.00 0.00 O ATOM 1123 CB PRO A 67 0.756 7.846 2.569 1.00 0.00 C ATOM 1124 CG PRO A 67 0.298 6.741 3.460 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.206 5.642 2.554 1.00 0.00 C ATOM 0 HA PRO A 67 -1.090 8.348 1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.798 7.716 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.682 8.814 3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.115 6.383 4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.490 7.084 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.527 4.842 2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.119 5.190 2.943 1.00 0.00 H new ATOM 1133 N LEU A 68 -0.011 9.498 -0.238 1.00 0.00 N ATOM 1134 CA LEU A 68 0.460 10.222 -1.389 1.00 0.00 C ATOM 1135 C LEU A 68 1.979 10.348 -1.388 1.00 0.00 C ATOM 1136 O LEU A 68 2.613 10.349 -2.444 1.00 0.00 O ATOM 1137 CB LEU A 68 -0.197 11.590 -1.354 1.00 0.00 C ATOM 1138 CG LEU A 68 -1.358 11.771 -2.323 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.026 13.121 -2.110 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -0.883 11.627 -3.761 1.00 0.00 C ATOM 0 H LEU A 68 -0.762 9.972 0.265 1.00 0.00 H new ATOM 0 HA LEU A 68 0.198 9.689 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.555 11.779 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.559 12.345 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.094 10.991 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.853 13.232 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.404 13.183 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.300 13.917 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.727 11.760 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.127 12.383 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.455 10.635 -3.905 1.00 0.00 H new ATOM 1152 N LYS A 69 2.561 10.423 -0.200 1.00 0.00 N ATOM 1153 CA LYS A 69 4.009 10.512 -0.073 1.00 0.00 C ATOM 1154 C LYS A 69 4.608 9.114 -0.154 1.00 0.00 C ATOM 1155 O LYS A 69 5.721 8.920 -0.655 1.00 0.00 O ATOM 1156 CB LYS A 69 4.397 11.182 1.247 1.00 0.00 C ATOM 1157 CG LYS A 69 3.796 10.511 2.471 1.00 0.00 C ATOM 1158 CD LYS A 69 2.558 11.246 2.959 1.00 0.00 C ATOM 1159 CE LYS A 69 2.890 12.217 4.081 1.00 0.00 C ATOM 1160 NZ LYS A 69 3.280 11.509 5.332 1.00 0.00 N ATOM 0 H LYS A 69 2.056 10.424 0.686 1.00 0.00 H new ATOM 0 HA LYS A 69 4.401 11.122 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.483 11.181 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.080 12.225 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.537 9.480 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.538 10.476 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.106 11.789 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.820 10.524 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.703 12.871 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.027 12.853 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.154 12.145 6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.682 10.667 5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.277 11.219 5.271 1.00 0.00 H new ATOM 1174 N HIS A 70 3.849 8.137 0.335 1.00 0.00 N ATOM 1175 CA HIS A 70 4.279 6.750 0.319 1.00 0.00 C ATOM 1176 C HIS A 70 4.245 6.191 -1.097 1.00 0.00 C ATOM 1177 O HIS A 70 5.120 5.420 -1.485 1.00 0.00 O ATOM 1178 CB HIS A 70 3.395 5.907 1.240 1.00 0.00 C ATOM 1179 CG HIS A 70 3.727 6.061 2.691 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.456 5.090 3.633 1.00 0.00 N ATOM 1181 CD2 HIS A 70 4.314 7.079 3.362 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.862 5.506 4.820 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.387 6.710 4.683 1.00 0.00 N ATOM 0 H HIS A 70 2.929 8.286 0.749 1.00 0.00 H new ATOM 0 HA HIS A 70 5.306 6.708 0.682 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.352 6.183 1.083 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.492 4.857 0.963 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.012 4.192 3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.661 8.009 2.937 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.779 4.955 5.745 1.00 0.00 H new ATOM 1192 N GLN A 71 3.237 6.589 -1.871 1.00 0.00 N ATOM 1193 CA GLN A 71 3.117 6.121 -3.248 1.00 0.00 C ATOM 1194 C GLN A 71 4.343 6.536 -4.051 1.00 0.00 C ATOM 1195 O GLN A 71 4.857 5.767 -4.864 1.00 0.00 O ATOM 1196 CB GLN A 71 1.839 6.654 -3.901 1.00 0.00 C ATOM 1197 CG GLN A 71 1.801 8.166 -4.050 1.00 0.00 C ATOM 1198 CD GLN A 71 0.841 8.621 -5.131 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -0.373 8.642 -4.932 1.00 0.00 O ATOM 1200 NE2 GLN A 71 1.385 8.984 -6.289 1.00 0.00 N ATOM 0 H GLN A 71 2.500 7.227 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 71 3.056 5.033 -3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.731 6.200 -4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.981 6.337 -3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.511 8.614 -3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.802 8.530 -4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.397 8.951 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.790 9.296 -7.057 1.00 0.00 H new ATOM 1209 N VAL A 72 4.825 7.750 -3.797 1.00 0.00 N ATOM 1210 CA VAL A 72 6.010 8.250 -4.479 1.00 0.00 C ATOM 1211 C VAL A 72 7.201 7.381 -4.122 1.00 0.00 C ATOM 1212 O VAL A 72 7.843 6.796 -4.994 1.00 0.00 O ATOM 1213 CB VAL A 72 6.330 9.704 -4.097 1.00 0.00 C ATOM 1214 CG1 VAL A 72 7.254 10.335 -5.127 1.00 0.00 C ATOM 1215 CG2 VAL A 72 5.057 10.523 -3.938 1.00 0.00 C ATOM 0 H VAL A 72 4.414 8.401 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 72 5.808 8.217 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 72 6.842 9.696 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.470 11.364 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.184 9.769 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.771 10.324 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.315 11.547 -3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.505 10.524 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.438 10.086 -3.154 1.00 0.00 H new ATOM 1225 N GLU A 73 7.477 7.278 -2.822 1.00 0.00 N ATOM 1226 CA GLU A 73 8.578 6.450 -2.349 1.00 0.00 C ATOM 1227 C GLU A 73 8.385 5.025 -2.846 1.00 0.00 C ATOM 1228 O GLU A 73 9.350 4.321 -3.144 1.00 0.00 O ATOM 1229 CB GLU A 73 8.657 6.476 -0.822 1.00 0.00 C ATOM 1230 CG GLU A 73 9.902 5.807 -0.265 1.00 0.00 C ATOM 1231 CD GLU A 73 9.594 4.842 0.862 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.697 3.991 0.686 1.00 0.00 O ATOM 1233 OE2 GLU A 73 10.249 4.936 1.921 1.00 0.00 O ATOM 0 H GLU A 73 6.956 7.755 -2.086 1.00 0.00 H new ATOM 0 HA GLU A 73 9.515 6.846 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.629 7.512 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.776 5.982 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.411 5.272 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.590 6.572 0.095 1.00 0.00 H new ATOM 1240 N TYR A 74 7.123 4.621 -2.967 1.00 0.00 N ATOM 1241 CA TYR A 74 6.792 3.298 -3.469 1.00 0.00 C ATOM 1242 C TYR A 74 7.361 3.146 -4.870 1.00 0.00 C ATOM 1243 O TYR A 74 7.838 2.079 -5.254 1.00 0.00 O ATOM 1244 CB TYR A 74 5.274 3.098 -3.495 1.00 0.00 C ATOM 1245 CG TYR A 74 4.843 1.654 -3.377 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.745 0.843 -4.500 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.534 1.103 -2.140 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.347 -0.477 -4.395 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.137 -0.216 -2.026 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.045 -1.002 -3.155 1.00 0.00 C ATOM 1251 OH TYR A 74 3.650 -2.315 -3.045 1.00 0.00 O ATOM 0 H TYR A 74 6.315 5.194 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 74 7.224 2.544 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.829 3.667 -2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.879 3.510 -4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.984 1.250 -5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.605 1.715 -1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.273 -1.094 -5.278 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.900 -0.629 -1.057 1.00 0.00 H new ATOM 0 HH TYR A 74 3.698 -2.746 -3.924 1.00 0.00 H new ATOM 1261 N ASP A 75 7.319 4.240 -5.625 1.00 0.00 N ATOM 1262 CA ASP A 75 7.844 4.252 -6.983 1.00 0.00 C ATOM 1263 C ASP A 75 9.370 4.240 -6.969 1.00 0.00 C ATOM 1264 O ASP A 75 10.004 3.672 -7.859 1.00 0.00 O ATOM 1265 CB ASP A 75 7.331 5.480 -7.740 1.00 0.00 C ATOM 1266 CG ASP A 75 6.614 5.111 -9.024 1.00 0.00 C ATOM 1267 OD1 ASP A 75 5.470 4.619 -8.945 1.00 0.00 O ATOM 1268 OD2 ASP A 75 7.199 5.315 -10.109 1.00 0.00 O ATOM 0 H ASP A 75 6.926 5.130 -5.317 1.00 0.00 H new ATOM 0 HA ASP A 75 7.496 3.354 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.653 6.042 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.169 6.137 -7.971 1.00 0.00 H new ATOM 1273 N GLN A 76 9.953 4.880 -5.958 1.00 0.00 N ATOM 1274 CA GLN A 76 11.405 4.954 -5.830 1.00 0.00 C ATOM 1275 C GLN A 76 12.022 3.582 -5.572 1.00 0.00 C ATOM 1276 O GLN A 76 13.135 3.302 -6.015 1.00 0.00 O ATOM 1277 CB GLN A 76 11.788 5.913 -4.701 1.00 0.00 C ATOM 1278 CG GLN A 76 11.316 7.340 -4.928 1.00 0.00 C ATOM 1279 CD GLN A 76 12.115 8.053 -6.001 1.00 0.00 C ATOM 1280 OE1 GLN A 76 13.241 7.665 -6.314 1.00 0.00 O ATOM 1281 NE2 GLN A 76 11.535 9.105 -6.569 1.00 0.00 N ATOM 0 H GLN A 76 9.441 5.355 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 76 11.798 5.327 -6.776 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.368 5.545 -3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.872 5.912 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.263 7.330 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.391 7.897 -3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.600 9.391 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.025 9.627 -7.296 1.00 0.00 H new ATOM 1290 N LEU A 77 11.299 2.730 -4.852 1.00 0.00 N ATOM 1291 CA LEU A 77 11.790 1.395 -4.538 1.00 0.00 C ATOM 1292 C LEU A 77 11.204 0.365 -5.494 1.00 0.00 C ATOM 1293 O LEU A 77 11.885 -0.570 -5.914 1.00 0.00 O ATOM 1294 CB LEU A 77 11.443 1.023 -3.096 1.00 0.00 C ATOM 1295 CG LEU A 77 11.699 2.122 -2.063 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.747 1.980 -0.885 1.00 0.00 C ATOM 1297 CD2 LEU A 77 13.143 2.082 -1.589 1.00 0.00 C ATOM 0 H LEU A 77 10.374 2.940 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 77 12.874 1.399 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.390 0.743 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.019 0.141 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 77 11.519 3.087 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.944 2.770 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.718 2.059 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.895 1.009 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.307 2.871 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.350 1.114 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.809 2.233 -2.438 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.370 7.080 6.399 1.00 0.00 N ATOM 1399 CA ARG B 103 -6.760 6.655 6.538 1.00 0.00 C ATOM 1400 C ARG B 103 -7.067 5.481 5.613 1.00 0.00 C ATOM 1401 O ARG B 103 -7.769 4.545 5.995 1.00 0.00 O ATOM 1402 CB ARG B 103 -7.715 7.815 6.232 1.00 0.00 C ATOM 1403 CG ARG B 103 -7.160 9.183 6.592 1.00 0.00 C ATOM 1404 CD ARG B 103 -8.195 10.040 7.301 1.00 0.00 C ATOM 1405 NE ARG B 103 -7.581 11.125 8.063 1.00 0.00 N ATOM 1406 CZ ARG B 103 -8.211 11.817 9.008 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -9.474 11.544 9.312 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -7.577 12.788 9.653 1.00 0.00 N ATOM 0 HA ARG B 103 -6.907 6.336 7.570 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.959 7.801 5.170 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.647 7.658 6.775 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -6.286 9.064 7.232 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -6.826 9.690 5.687 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -8.884 10.458 6.567 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -8.785 9.415 7.972 1.00 0.00 H new ATOM 0 HE ARG B 103 -6.611 11.366 7.858 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -9.968 10.799 8.820 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -9.951 12.079 10.038 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -6.607 13.004 9.424 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -8.060 13.319 10.378 1.00 0.00 H new ATOM 1422 N TYR B 104 -6.543 5.543 4.392 1.00 0.00 N ATOM 1423 CA TYR B 104 -6.765 4.488 3.409 1.00 0.00 C ATOM 1424 C TYR B 104 -6.388 3.120 3.968 1.00 0.00 C ATOM 1425 O TYR B 104 -7.177 2.176 3.913 1.00 0.00 O ATOM 1426 CB TYR B 104 -5.962 4.769 2.139 1.00 0.00 C ATOM 1427 CG TYR B 104 -6.575 5.831 1.256 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -7.646 5.534 0.422 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -6.082 7.130 1.255 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -8.209 6.502 -0.387 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -6.642 8.103 0.449 1.00 0.00 C ATOM 1432 CZ TYR B 104 -7.703 7.784 -0.370 1.00 0.00 C ATOM 1433 OH TYR B 104 -8.262 8.752 -1.174 1.00 0.00 O ATOM 0 H TYR B 104 -5.962 6.313 4.060 1.00 0.00 H new ATOM 0 HA TYR B 104 -7.828 4.477 3.168 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -4.954 5.078 2.418 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -5.866 3.845 1.568 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -8.045 4.530 0.406 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -5.249 7.383 1.894 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -9.041 6.256 -1.029 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -6.250 9.109 0.461 1.00 0.00 H new ATOM 0 HH TYR B 104 -7.789 9.600 -1.042 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.177 3.016 4.506 1.00 0.00 N ATOM 1444 CA LEU B 105 -4.699 1.760 5.071 1.00 0.00 C ATOM 1445 C LEU B 105 -5.600 1.298 6.214 1.00 0.00 C ATOM 1446 O LEU B 105 -6.070 0.163 6.223 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.259 1.917 5.570 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.179 1.490 4.574 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.417 0.064 4.096 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.134 2.451 3.394 1.00 0.00 C ATOM 0 H LEU B 105 -4.510 3.786 4.562 1.00 0.00 H new ATOM 0 HA LEU B 105 -4.724 1.004 4.286 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.094 2.961 5.836 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.141 1.333 6.483 1.00 0.00 H new ATOM 0 HG LEU B 105 -1.215 1.520 5.081 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.637 -0.218 3.389 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.395 -0.614 4.949 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -3.389 0.002 3.607 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.360 2.133 2.695 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -3.100 2.453 2.890 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -1.909 3.456 3.751 1.00 0.00 H new ATOM 1462 N ARG B 106 -5.835 2.188 7.171 1.00 0.00 N ATOM 1463 CA ARG B 106 -6.681 1.874 8.318 1.00 0.00 C ATOM 1464 C ARG B 106 -8.098 1.519 7.876 1.00 0.00 C ATOM 1465 O ARG B 106 -8.771 0.707 8.511 1.00 0.00 O ATOM 1466 CB ARG B 106 -6.718 3.057 9.288 1.00 0.00 C ATOM 1467 CG ARG B 106 -6.696 2.646 10.754 1.00 0.00 C ATOM 1468 CD ARG B 106 -7.899 3.190 11.511 1.00 0.00 C ATOM 1469 NE ARG B 106 -7.520 4.214 12.481 1.00 0.00 N ATOM 1470 CZ ARG B 106 -7.344 5.499 12.177 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -7.509 5.924 10.930 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -7.001 6.363 13.123 1.00 0.00 N ATOM 0 H ARG B 106 -5.452 3.133 7.176 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.254 1.008 8.824 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -5.865 3.706 9.089 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.617 3.644 9.098 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -6.682 1.559 10.827 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -5.779 3.008 11.219 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -8.614 3.609 10.802 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -8.403 2.372 12.026 1.00 0.00 H new ATOM 0 HE ARG B 106 -7.382 3.928 13.450 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -7.772 5.265 10.197 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -7.373 6.909 10.705 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -6.872 6.044 14.083 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -6.866 7.347 12.890 1.00 0.00 H new ATOM 1486 N GLU B 107 -8.548 2.136 6.789 1.00 0.00 N ATOM 1487 CA GLU B 107 -9.889 1.886 6.269 1.00 0.00 C ATOM 1488 C GLU B 107 -10.055 0.426 5.854 1.00 0.00 C ATOM 1489 O GLU B 107 -10.931 -0.276 6.359 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.177 2.802 5.078 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.657 2.944 4.763 1.00 0.00 C ATOM 1492 CD GLU B 107 -12.145 1.901 3.776 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -11.305 1.336 3.046 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -13.368 1.650 3.734 1.00 0.00 O ATOM 0 H GLU B 107 -8.006 2.812 6.251 1.00 0.00 H new ATOM 0 HA GLU B 107 -10.602 2.100 7.065 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.761 3.789 5.281 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -9.663 2.414 4.199 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -12.231 2.862 5.686 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -11.845 3.938 4.358 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.209 -0.024 4.934 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.264 -1.400 4.456 1.00 0.00 C ATOM 1503 C ALA B 108 -8.748 -2.369 5.515 1.00 0.00 C ATOM 1504 O ALA B 108 -9.361 -3.403 5.779 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.463 -1.543 3.170 1.00 0.00 C ATOM 0 H ALA B 108 -8.478 0.543 4.505 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.306 -1.648 4.252 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.512 -2.575 2.824 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -8.878 -0.884 2.407 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.424 -1.272 3.357 1.00 0.00 H new ATOM 1511 N ILE B 109 -7.615 -2.022 6.116 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.007 -2.852 7.149 1.00 0.00 C ATOM 1513 C ILE B 109 -7.982 -3.105 8.298 1.00 0.00 C ATOM 1514 O ILE B 109 -8.260 -4.253 8.647 1.00 0.00 O ATOM 1515 CB ILE B 109 -5.719 -2.195 7.696 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -4.635 -2.179 6.616 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.217 -2.921 8.939 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -3.396 -1.410 7.018 1.00 0.00 C ATOM 0 H ILE B 109 -7.098 -1.169 5.904 1.00 0.00 H new ATOM 0 HA ILE B 109 -6.751 -3.807 6.691 1.00 0.00 H new ATOM 0 HB ILE B 109 -5.955 -1.169 7.977 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.355 -3.205 6.378 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.046 -1.741 5.706 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -4.310 -2.437 9.302 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -5.982 -2.886 9.715 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -4.999 -3.960 8.691 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -2.670 -1.440 6.206 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -3.663 -0.374 7.228 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -2.961 -1.861 7.910 1.00 0.00 H new ATOM 1530 N GLN B 110 -8.501 -2.028 8.880 1.00 0.00 N ATOM 1531 CA GLN B 110 -9.444 -2.144 9.985 1.00 0.00 C ATOM 1532 C GLN B 110 -10.738 -2.798 9.525 1.00 0.00 C ATOM 1533 O GLN B 110 -11.352 -3.566 10.264 1.00 0.00 O ATOM 1534 CB GLN B 110 -9.733 -0.770 10.590 1.00 0.00 C ATOM 1535 CG GLN B 110 -10.359 -0.832 11.973 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.004 0.368 12.828 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -10.834 1.245 13.062 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -8.764 0.412 13.302 1.00 0.00 N ATOM 0 H GLN B 110 -8.285 -1.070 8.606 1.00 0.00 H new ATOM 0 HA GLN B 110 -8.992 -2.775 10.750 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -8.803 -0.205 10.647 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -10.399 -0.222 9.923 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -11.443 -0.896 11.875 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -10.031 -1.742 12.476 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -8.107 -0.337 13.083 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -8.468 1.195 13.885 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.145 -2.500 8.295 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.363 -3.079 7.742 1.00 0.00 C ATOM 1549 C GLU B 111 -12.295 -4.597 7.826 1.00 0.00 C ATOM 1550 O GLU B 111 -13.270 -5.257 8.184 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.560 -2.635 6.292 1.00 0.00 C ATOM 1552 CG GLU B 111 -13.496 -1.445 6.143 1.00 0.00 C ATOM 1553 CD GLU B 111 -14.789 -1.804 5.435 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -14.765 -2.717 4.584 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.824 -1.173 5.734 1.00 0.00 O ATOM 0 H GLU B 111 -10.653 -1.865 7.666 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.215 -2.728 8.324 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -11.591 -2.380 5.864 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.954 -3.471 5.715 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -13.726 -1.043 7.130 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -12.989 -0.656 5.587 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.123 -5.139 7.516 1.00 0.00 N ATOM 1563 CA TYR B 112 -10.912 -6.574 7.579 1.00 0.00 C ATOM 1564 C TYR B 112 -10.861 -7.019 9.032 1.00 0.00 C ATOM 1565 O TYR B 112 -11.317 -8.112 9.374 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.619 -6.962 6.859 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.411 -8.457 6.746 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -8.751 -9.162 7.744 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -9.874 -9.160 5.642 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -8.558 -10.527 7.645 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -9.684 -10.525 5.534 1.00 0.00 C ATOM 1572 CZ TYR B 112 -9.026 -11.204 6.539 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.836 -12.563 6.435 1.00 0.00 O ATOM 0 H TYR B 112 -10.307 -4.604 7.219 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.742 -7.074 7.079 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.626 -6.528 5.859 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.773 -6.525 7.390 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -8.383 -8.635 8.612 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -10.391 -8.632 4.855 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -8.043 -11.061 8.430 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -10.049 -11.057 4.668 1.00 0.00 H new ATOM 0 HH TYR B 112 -9.227 -12.885 5.596 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.325 -6.156 9.891 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.244 -6.458 11.312 1.00 0.00 C ATOM 1585 C ASP B 113 -11.644 -6.677 11.871 1.00 0.00 C ATOM 1586 O ASP B 113 -11.842 -7.467 12.794 1.00 0.00 O ATOM 1587 CB ASP B 113 -9.545 -5.322 12.064 1.00 0.00 C ATOM 1588 CG ASP B 113 -8.603 -5.832 13.135 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -7.462 -6.209 12.791 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -9.004 -5.857 14.317 1.00 0.00 O ATOM 0 H ASP B 113 -9.943 -5.248 9.627 1.00 0.00 H new ATOM 0 HA ASP B 113 -9.659 -7.368 11.446 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -8.987 -4.710 11.355 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -10.295 -4.677 12.521 1.00 0.00 H new ATOM 1595 N ASN B 114 -12.617 -5.974 11.292 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.004 -6.092 11.717 1.00 0.00 C ATOM 1597 C ASN B 114 -14.660 -7.310 11.074 1.00 0.00 C ATOM 1598 O ASN B 114 -15.518 -7.956 11.678 1.00 0.00 O ATOM 1599 CB ASN B 114 -14.781 -4.824 11.356 1.00 0.00 C ATOM 1600 CG ASN B 114 -15.577 -4.284 12.528 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -15.202 -4.466 13.685 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.686 -3.614 12.232 1.00 0.00 N ATOM 0 H ASN B 114 -12.466 -5.317 10.527 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.021 -6.219 12.799 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.085 -4.060 11.010 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -15.457 -5.038 10.528 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -17.263 -3.227 12.979 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -16.960 -3.486 11.258 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.253 -7.621 9.845 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.802 -8.763 9.126 1.00 0.00 C ATOM 1611 C ILE B 115 -14.235 -10.072 9.664 1.00 0.00 C ATOM 1612 O ILE B 115 -14.944 -10.856 10.295 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.513 -8.664 7.614 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.061 -7.350 7.054 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.115 -9.850 6.877 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.308 -6.849 5.840 1.00 0.00 C ATOM 0 H ILE B 115 -13.546 -7.098 9.329 1.00 0.00 H new ATOM 0 HA ILE B 115 -15.881 -8.751 9.280 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.433 -8.681 7.466 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.110 -7.486 6.790 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.025 -6.589 7.834 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.901 -9.763 5.812 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.682 -10.774 7.260 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.194 -9.864 7.030 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.751 -5.914 5.497 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.264 -6.680 6.104 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.366 -7.591 5.044 1.00 0.00 H new