USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 781 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 73 TYR OH : rot 180:sc= 0.0584 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 143:sc= 1.24 (180deg=0.214) USER MOD Set 2.1: A 46 TYR OH : rot 1:sc= 0.649 USER MOD Set 2.2: A 71 LYS NZ :NH3+ -143:sc= 0.726 (180deg=-0.022) USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= 0.571 (180deg=0.524) USER MOD Single : A 7 HIS :FLIP no HE2:sc= 0.466 F(o=-1.5!,f=0.47) USER MOD Single : A 9 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000451 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.24 F(o=-1.6!,f=-0.24) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -0.178 K(o=-0.18,f=-0.93) USER MOD Single : A 20 HIS : no HE2:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 29 THR OG1 : rot -91:sc= 0.198 USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -0.832 (180deg=-2.91!) USER MOD Single : A 40 MET CE :methyl 177:sc= -3.76! (180deg=-3.93!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0243) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 166:sc= -2! (180deg=-2.92!) USER MOD Single : A 55 TYR OH : rot 165:sc= -0.0143 USER MOD Single : A 57 SER OG : rot -33:sc= 0.152 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.249 USER MOD Single : A 64 TYR OH : rot -151:sc= 0.796 USER MOD Single : A 65 TYR OH : rot 151:sc= -1.19 USER MOD Single : A 66 HIS : no HE2:sc= -0.0229 K(o=-0.023,f=-2.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -4.14! C(o=-5.3!,f=-4.1!) USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= 0.875 (180deg=0.561) USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 141 MET CE :methyl 161:sc= -1.33 (180deg=-2.73) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot -91:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -19.563 4.158 9.747 1.00 0.00 N ATOM 51 CA LYS A 4 -19.700 4.930 8.538 1.00 0.00 C ATOM 52 C LYS A 4 -20.432 4.104 7.512 1.00 0.00 C ATOM 53 O LYS A 4 -19.986 3.014 7.159 1.00 0.00 O ATOM 54 CB LYS A 4 -18.318 5.318 8.033 1.00 0.00 C ATOM 55 CG LYS A 4 -17.442 5.836 9.133 1.00 0.00 C ATOM 56 CD LYS A 4 -16.030 6.107 8.685 1.00 0.00 C ATOM 57 CE LYS A 4 -15.149 6.375 9.881 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.993 5.174 10.741 1.00 0.00 N ATOM 0 HA LYS A 4 -20.268 5.840 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.845 4.452 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.416 6.079 7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.873 6.755 9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.426 5.112 9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.647 5.253 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.012 6.963 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.168 6.707 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.574 7.188 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.327 5.383 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.916 4.912 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.626 4.385 10.172 1.00 0.00 H new ATOM 72 N GLY A 5 -21.533 4.629 7.022 1.00 0.00 N ATOM 73 CA GLY A 5 -22.416 3.902 6.120 1.00 0.00 C ATOM 74 C GLY A 5 -21.791 3.577 4.781 1.00 0.00 C ATOM 75 O GLY A 5 -22.276 2.711 4.050 1.00 0.00 O ATOM 0 H GLY A 5 -21.848 5.576 7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.726 2.974 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.317 4.492 5.956 1.00 0.00 H new ATOM 79 N TRP A 6 -20.692 4.233 4.464 1.00 0.00 N ATOM 80 CA TRP A 6 -20.018 3.990 3.207 1.00 0.00 C ATOM 81 C TRP A 6 -19.302 2.641 3.183 1.00 0.00 C ATOM 82 O TRP A 6 -18.818 2.220 2.130 1.00 0.00 O ATOM 83 CB TRP A 6 -19.057 5.126 2.829 1.00 0.00 C ATOM 84 CG TRP A 6 -17.955 5.392 3.814 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.947 6.345 4.773 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.694 4.707 3.924 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.767 6.312 5.459 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.986 5.315 4.968 1.00 0.00 C ATOM 89 CE3 TRP A 6 -16.097 3.645 3.244 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.721 4.902 5.349 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.841 3.238 3.625 1.00 0.00 C ATOM 92 CH2 TRP A 6 -14.167 3.865 4.668 1.00 0.00 C ATOM 0 H TRP A 6 -20.250 4.935 5.057 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.802 3.959 2.450 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.609 4.894 1.863 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.635 6.041 2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.757 7.033 4.968 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.512 6.939 6.222 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.613 3.152 2.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -14.194 5.386 6.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.369 2.417 3.106 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -13.181 3.520 4.943 1.00 0.00 H new ATOM 103 N HIS A 7 -19.236 1.955 4.338 1.00 0.00 N ATOM 104 CA HIS A 7 -18.588 0.631 4.411 1.00 0.00 C ATOM 105 C HIS A 7 -19.329 -0.381 3.514 1.00 0.00 C ATOM 106 O HIS A 7 -18.766 -1.367 3.073 1.00 0.00 O ATOM 107 CB HIS A 7 -18.519 0.090 5.871 1.00 0.00 C ATOM 108 CG HIS A 7 -19.822 -0.436 6.438 1.00 0.00 C ATOM 109 ND1 HIS A 7 -20.864 0.210 6.993 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 -20.153 -1.769 6.467 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 -21.833 -0.713 7.363 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 -21.349 -1.891 7.020 1.00 0.00 N flip ATOM 0 H HIS A 7 -19.618 2.289 5.223 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.566 0.755 4.054 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.779 -0.709 5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.158 0.889 6.519 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -20.931 1.220 7.122 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.541 -2.580 6.101 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.784 -0.509 7.833 1.00 0.00 H new ATOM 120 N GLU A 8 -20.585 -0.077 3.224 1.00 0.00 N ATOM 121 CA GLU A 8 -21.445 -0.940 2.427 1.00 0.00 C ATOM 122 C GLU A 8 -21.105 -0.790 0.942 1.00 0.00 C ATOM 123 O GLU A 8 -21.618 -1.514 0.091 1.00 0.00 O ATOM 124 CB GLU A 8 -22.906 -0.551 2.673 1.00 0.00 C ATOM 125 CG GLU A 8 -23.252 -0.451 4.150 1.00 0.00 C ATOM 126 CD GLU A 8 -24.684 -0.063 4.418 1.00 0.00 C ATOM 127 OE1 GLU A 8 -25.142 0.990 3.924 1.00 0.00 O ATOM 128 OE2 GLU A 8 -25.387 -0.794 5.154 1.00 0.00 O ATOM 0 H GLU A 8 -21.040 0.781 3.537 1.00 0.00 H new ATOM 0 HA GLU A 8 -21.290 -1.980 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -23.107 0.406 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -23.557 -1.287 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -23.051 -1.411 4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.594 0.281 4.618 1.00 0.00 H new ATOM 135 N HIS A 9 -20.246 0.164 0.647 1.00 0.00 N ATOM 136 CA HIS A 9 -19.848 0.450 -0.712 1.00 0.00 C ATOM 137 C HIS A 9 -18.385 0.109 -0.932 1.00 0.00 C ATOM 138 O HIS A 9 -17.768 0.581 -1.889 1.00 0.00 O ATOM 139 CB HIS A 9 -20.076 1.921 -1.055 1.00 0.00 C ATOM 140 CG HIS A 9 -21.500 2.360 -1.047 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.325 2.287 -2.140 1.00 0.00 N ATOM 142 CD2 HIS A 9 -22.233 2.914 -0.061 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.502 2.796 -1.803 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.500 3.192 -0.540 1.00 0.00 N ATOM 0 H HIS A 9 -19.805 0.763 1.345 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.464 -0.168 -1.365 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.519 2.534 -0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.657 2.117 -2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.886 3.110 0.943 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.348 2.877 -2.469 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.273 3.615 -0.026 1.00 0.00 H new ATOM 152 N VAL A 10 -17.830 -0.688 -0.059 1.00 0.00 N ATOM 153 CA VAL A 10 -16.452 -1.085 -0.182 1.00 0.00 C ATOM 154 C VAL A 10 -16.306 -2.552 0.200 1.00 0.00 C ATOM 155 O VAL A 10 -16.754 -2.976 1.261 1.00 0.00 O ATOM 156 CB VAL A 10 -15.502 -0.146 0.638 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.835 -0.102 2.108 1.00 0.00 C ATOM 158 CG2 VAL A 10 -14.042 -0.465 0.412 1.00 0.00 C ATOM 0 H VAL A 10 -18.314 -1.078 0.750 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.143 -0.978 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.681 0.857 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.141 0.565 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.853 0.264 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.752 -1.104 2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.426 0.213 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.843 -1.493 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.803 -0.346 -0.645 1.00 0.00 H new ATOM 168 N THR A 11 -15.738 -3.323 -0.682 1.00 0.00 N ATOM 169 CA THR A 11 -15.605 -4.740 -0.468 1.00 0.00 C ATOM 170 C THR A 11 -14.341 -5.019 0.316 1.00 0.00 C ATOM 171 O THR A 11 -13.403 -4.196 0.306 1.00 0.00 O ATOM 172 CB THR A 11 -15.425 -5.465 -1.806 1.00 0.00 C ATOM 173 OG1 THR A 11 -16.131 -4.809 -2.848 1.00 0.00 O ATOM 174 CG2 THR A 11 -15.906 -6.884 -1.701 1.00 0.00 C ATOM 0 H THR A 11 -15.355 -2.992 -1.567 1.00 0.00 H new ATOM 0 HA THR A 11 -16.499 -5.080 0.055 1.00 0.00 H new ATOM 0 HB THR A 11 -14.361 -5.454 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.996 -5.293 -3.689 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.772 -7.386 -2.659 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.334 -7.406 -0.934 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.962 -6.891 -1.433 1.00 0.00 H new ATOM 182 N GLN A 12 -14.284 -6.188 0.956 1.00 0.00 N ATOM 183 CA GLN A 12 -13.064 -6.659 1.562 1.00 0.00 C ATOM 184 C GLN A 12 -12.008 -6.760 0.468 1.00 0.00 C ATOM 185 O GLN A 12 -10.861 -6.438 0.669 1.00 0.00 O ATOM 186 CB GLN A 12 -13.251 -8.041 2.152 1.00 0.00 C ATOM 187 CG GLN A 12 -11.987 -8.590 2.793 1.00 0.00 C ATOM 188 CD GLN A 12 -11.834 -10.086 2.650 1.00 0.00 C ATOM 189 OE1 GLN A 12 -12.249 -10.631 1.524 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -11.270 -10.743 3.522 1.00 0.00 N flip ATOM 0 H GLN A 12 -15.078 -6.819 1.062 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.771 -5.969 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.045 -8.007 2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.580 -8.723 1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.122 -8.101 2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.986 -8.333 3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.961 -10.290 4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.111 -11.741 3.386 1.00 0.00 H new ATOM 199 N ASP A 13 -12.432 -7.190 -0.700 1.00 0.00 N ATOM 200 CA ASP A 13 -11.533 -7.333 -1.826 1.00 0.00 C ATOM 201 C ASP A 13 -10.972 -6.029 -2.329 1.00 0.00 C ATOM 202 O ASP A 13 -9.846 -6.006 -2.749 1.00 0.00 O ATOM 203 CB ASP A 13 -12.120 -8.172 -2.954 1.00 0.00 C ATOM 204 CG ASP A 13 -12.075 -9.639 -2.624 1.00 0.00 C ATOM 205 OD1 ASP A 13 -11.017 -10.270 -2.856 1.00 0.00 O ATOM 206 OD2 ASP A 13 -13.074 -10.174 -2.091 1.00 0.00 O ATOM 0 H ASP A 13 -13.399 -7.448 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.683 -7.888 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.151 -7.870 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.566 -7.987 -3.874 1.00 0.00 H new ATOM 211 N LEU A 14 -11.728 -4.929 -2.216 1.00 0.00 N ATOM 212 CA LEU A 14 -11.236 -3.618 -2.673 1.00 0.00 C ATOM 213 C LEU A 14 -10.114 -3.229 -1.772 1.00 0.00 C ATOM 214 O LEU A 14 -9.007 -2.948 -2.205 1.00 0.00 O ATOM 215 CB LEU A 14 -12.376 -2.546 -2.613 1.00 0.00 C ATOM 216 CG LEU A 14 -12.082 -1.078 -3.095 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.294 -0.272 -2.079 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.346 -1.063 -4.415 1.00 0.00 C ATOM 0 H LEU A 14 -12.668 -4.917 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.900 -3.678 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.211 -2.923 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.717 -2.489 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.059 -0.610 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.121 0.732 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.857 -0.210 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.337 -0.759 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.160 -0.032 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.396 -1.587 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.950 -1.560 -5.174 1.00 0.00 H new ATOM 230 N ARG A 15 -10.400 -3.287 -0.516 1.00 0.00 N ATOM 231 CA ARG A 15 -9.472 -2.906 0.475 1.00 0.00 C ATOM 232 C ARG A 15 -8.245 -3.806 0.502 1.00 0.00 C ATOM 233 O ARG A 15 -7.134 -3.320 0.452 1.00 0.00 O ATOM 234 CB ARG A 15 -10.161 -2.775 1.807 1.00 0.00 C ATOM 235 CG ARG A 15 -10.885 -3.970 2.304 1.00 0.00 C ATOM 236 CD ARG A 15 -11.852 -3.558 3.358 1.00 0.00 C ATOM 237 NE ARG A 15 -11.164 -2.789 4.419 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.519 -2.704 5.695 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.677 -3.200 6.118 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.718 -2.076 6.547 1.00 0.00 N ATOM 0 H ARG A 15 -11.298 -3.605 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.079 -1.922 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.414 -2.497 2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.870 -1.950 1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.411 -4.458 1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.178 -4.696 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.644 -2.953 2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.327 -4.439 3.789 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.331 -2.271 4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.308 -3.655 5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.934 -3.126 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.843 -1.667 6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.977 -2.002 7.531 1.00 0.00 H new ATOM 254 N SER A 16 -8.456 -5.111 0.469 1.00 0.00 N ATOM 255 CA SER A 16 -7.374 -6.082 0.485 1.00 0.00 C ATOM 256 C SER A 16 -6.530 -5.994 -0.819 1.00 0.00 C ATOM 257 O SER A 16 -5.353 -6.381 -0.851 1.00 0.00 O ATOM 258 CB SER A 16 -7.966 -7.489 0.698 1.00 0.00 C ATOM 259 OG SER A 16 -6.975 -8.505 0.742 1.00 0.00 O ATOM 0 H SER A 16 -9.386 -5.529 0.430 1.00 0.00 H new ATOM 0 HA SER A 16 -6.695 -5.864 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.534 -7.502 1.628 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.668 -7.708 -0.107 1.00 0.00 H new ATOM 0 HG SER A 16 -7.404 -9.375 0.880 1.00 0.00 H new ATOM 265 N HIS A 17 -7.138 -5.473 -1.869 1.00 0.00 N ATOM 266 CA HIS A 17 -6.480 -5.241 -3.157 1.00 0.00 C ATOM 267 C HIS A 17 -5.470 -4.104 -2.977 1.00 0.00 C ATOM 268 O HIS A 17 -4.295 -4.197 -3.384 1.00 0.00 O ATOM 269 CB HIS A 17 -7.578 -4.842 -4.171 1.00 0.00 C ATOM 270 CG HIS A 17 -7.214 -4.703 -5.608 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.662 -5.558 -6.581 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.540 -3.735 -6.247 1.00 0.00 C ATOM 273 CE1 HIS A 17 -7.259 -5.094 -7.760 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.568 -3.982 -7.620 1.00 0.00 N ATOM 0 H HIS A 17 -8.119 -5.192 -1.858 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.955 -6.126 -3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.374 -5.583 -4.103 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.999 -3.891 -3.844 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -8.210 -6.404 -6.427 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.052 -2.896 -5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.471 -5.567 -8.708 1.00 0.00 H new ATOM 282 N LEU A 18 -5.943 -3.056 -2.345 1.00 0.00 N ATOM 283 CA LEU A 18 -5.147 -1.883 -2.021 1.00 0.00 C ATOM 284 C LEU A 18 -4.055 -2.256 -1.033 1.00 0.00 C ATOM 285 O LEU A 18 -2.917 -1.836 -1.174 1.00 0.00 O ATOM 286 CB LEU A 18 -6.059 -0.773 -1.462 1.00 0.00 C ATOM 287 CG LEU A 18 -6.844 0.093 -2.488 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.485 -0.710 -3.594 1.00 0.00 C ATOM 289 CD2 LEU A 18 -7.922 0.853 -1.794 1.00 0.00 C ATOM 0 H LEU A 18 -6.912 -2.988 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.667 -1.504 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.781 -1.237 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.445 -0.105 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.106 0.757 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.015 -0.039 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.715 -1.249 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.189 -1.423 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.467 1.457 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.608 0.155 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.480 1.504 -1.039 1.00 0.00 H new ATOM 301 N VAL A 19 -4.419 -3.076 -0.062 1.00 0.00 N ATOM 302 CA VAL A 19 -3.498 -3.628 0.937 1.00 0.00 C ATOM 303 C VAL A 19 -2.329 -4.369 0.242 1.00 0.00 C ATOM 304 O VAL A 19 -1.157 -4.157 0.566 1.00 0.00 O ATOM 305 CB VAL A 19 -4.257 -4.634 1.868 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.338 -5.362 2.757 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.279 -3.948 2.719 1.00 0.00 C ATOM 0 H VAL A 19 -5.382 -3.388 0.063 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.102 -2.804 1.530 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.751 -5.336 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.906 -6.048 3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.623 -5.926 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.803 -4.652 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.781 -4.683 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.789 -3.205 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.013 -3.455 2.081 1.00 0.00 H new ATOM 317 N HIS A 20 -2.680 -5.226 -0.702 1.00 0.00 N ATOM 318 CA HIS A 20 -1.716 -5.989 -1.492 1.00 0.00 C ATOM 319 C HIS A 20 -0.723 -5.045 -2.183 1.00 0.00 C ATOM 320 O HIS A 20 0.502 -5.223 -2.103 1.00 0.00 O ATOM 321 CB HIS A 20 -2.488 -6.841 -2.520 1.00 0.00 C ATOM 322 CG HIS A 20 -1.653 -7.512 -3.559 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.617 -7.105 -4.866 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.826 -8.579 -3.475 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.801 -7.898 -5.529 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.282 -8.828 -4.735 1.00 0.00 N ATOM 0 H HIS A 20 -3.651 -5.417 -0.947 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.138 -6.647 -0.843 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.051 -7.605 -1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.216 -6.202 -3.021 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.135 -6.320 -5.260 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.620 -9.146 -2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.582 -7.804 -6.582 1.00 0.00 H new ATOM 334 N LYS A 21 -1.260 -4.035 -2.825 1.00 0.00 N ATOM 335 CA LYS A 21 -0.451 -3.044 -3.496 1.00 0.00 C ATOM 336 C LYS A 21 0.393 -2.240 -2.519 1.00 0.00 C ATOM 337 O LYS A 21 1.546 -1.898 -2.836 1.00 0.00 O ATOM 338 CB LYS A 21 -1.324 -2.162 -4.368 1.00 0.00 C ATOM 339 CG LYS A 21 -1.689 -2.822 -5.683 1.00 0.00 C ATOM 340 CD LYS A 21 -2.982 -2.267 -6.245 1.00 0.00 C ATOM 341 CE LYS A 21 -3.416 -2.946 -7.554 1.00 0.00 C ATOM 342 NZ LYS A 21 -2.487 -2.725 -8.679 1.00 0.00 N ATOM 0 H LYS A 21 -2.265 -3.877 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 21 0.257 -3.561 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.236 -1.910 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.803 -1.225 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.884 -2.671 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.787 -3.898 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.772 -2.384 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.865 -1.198 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.513 -4.018 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.403 -2.577 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.845 -3.212 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.411 -1.706 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.549 -3.101 -8.434 1.00 0.00 H new ATOM 356 N LEU A 22 -0.173 -1.939 -1.339 1.00 0.00 N ATOM 357 CA LEU A 22 0.557 -1.257 -0.270 1.00 0.00 C ATOM 358 C LEU A 22 1.828 -1.999 0.032 1.00 0.00 C ATOM 359 O LEU A 22 2.896 -1.398 0.047 1.00 0.00 O ATOM 360 CB LEU A 22 -0.289 -1.104 1.008 1.00 0.00 C ATOM 361 CG LEU A 22 -1.382 -0.033 0.996 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.231 -0.131 2.252 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.747 1.325 0.964 1.00 0.00 C ATOM 0 H LEU A 22 -1.141 -2.161 -1.105 1.00 0.00 H new ATOM 0 HA LEU A 22 0.793 -0.252 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.759 -2.064 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.386 -0.890 1.837 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.008 -0.186 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.004 0.637 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.698 -1.115 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.601 0.014 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.524 2.090 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.120 1.454 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.135 1.419 0.067 1.00 0.00 H new ATOM 375 N VAL A 23 1.702 -3.315 0.218 1.00 0.00 N ATOM 376 CA VAL A 23 2.848 -4.197 0.426 1.00 0.00 C ATOM 377 C VAL A 23 3.839 -4.041 -0.707 1.00 0.00 C ATOM 378 O VAL A 23 4.969 -3.770 -0.459 1.00 0.00 O ATOM 379 CB VAL A 23 2.430 -5.689 0.513 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.663 -6.586 0.504 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.629 -5.932 1.767 1.00 0.00 C ATOM 0 H VAL A 23 0.803 -3.797 0.228 1.00 0.00 H new ATOM 0 HA VAL A 23 3.301 -3.908 1.374 1.00 0.00 H new ATOM 0 HB VAL A 23 1.814 -5.928 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.354 -7.630 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.222 -6.427 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.295 -6.344 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.341 -6.982 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.232 -5.679 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.733 -5.311 1.753 1.00 0.00 H new ATOM 391 N GLN A 24 3.379 -4.154 -1.949 1.00 0.00 N ATOM 392 CA GLN A 24 4.286 -4.078 -3.108 1.00 0.00 C ATOM 393 C GLN A 24 5.104 -2.769 -3.151 1.00 0.00 C ATOM 394 O GLN A 24 6.231 -2.754 -3.657 1.00 0.00 O ATOM 395 CB GLN A 24 3.552 -4.281 -4.434 1.00 0.00 C ATOM 396 CG GLN A 24 2.852 -5.617 -4.578 1.00 0.00 C ATOM 397 CD GLN A 24 2.288 -5.811 -5.970 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.138 -5.454 -6.261 1.00 0.00 O ATOM 399 NE2 GLN A 24 3.098 -6.336 -6.853 1.00 0.00 N ATOM 0 H GLN A 24 2.397 -4.297 -2.186 1.00 0.00 H new ATOM 0 HA GLN A 24 4.988 -4.901 -2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.815 -3.487 -4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.268 -4.173 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.554 -6.421 -4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.046 -5.686 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.039 -6.619 -6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.789 -6.463 -7.817 1.00 0.00 H new ATOM 408 N ALA A 25 4.531 -1.680 -2.660 1.00 0.00 N ATOM 409 CA ALA A 25 5.244 -0.418 -2.593 1.00 0.00 C ATOM 410 C ALA A 25 6.173 -0.338 -1.374 1.00 0.00 C ATOM 411 O ALA A 25 7.317 0.053 -1.491 1.00 0.00 O ATOM 412 CB ALA A 25 4.254 0.692 -2.513 1.00 0.00 C ATOM 0 H ALA A 25 3.576 -1.647 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 25 5.859 -0.337 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.780 1.645 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.617 0.676 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.640 0.568 -1.621 1.00 0.00 H new ATOM 418 N ILE A 26 5.659 -0.734 -0.208 1.00 0.00 N ATOM 419 CA ILE A 26 6.382 -0.589 1.071 1.00 0.00 C ATOM 420 C ILE A 26 7.423 -1.710 1.247 1.00 0.00 C ATOM 421 O ILE A 26 8.450 -1.552 1.915 1.00 0.00 O ATOM 422 CB ILE A 26 5.351 -0.538 2.267 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.972 -0.028 3.603 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.676 -1.892 2.467 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.570 -1.098 4.497 1.00 0.00 C ATOM 0 H ILE A 26 4.738 -1.162 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 26 6.934 0.351 1.065 1.00 0.00 H new ATOM 0 HB ILE A 26 4.597 0.196 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.749 0.700 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.200 0.500 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.972 -1.828 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.142 -2.170 1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.431 -2.646 2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.973 -0.636 5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.797 -1.816 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.370 -1.612 3.964 1.00 0.00 H new ATOM 437 N PHE A 27 7.147 -2.807 0.637 1.00 0.00 N ATOM 438 CA PHE A 27 7.984 -3.953 0.625 1.00 0.00 C ATOM 439 C PHE A 27 8.099 -4.466 -0.799 1.00 0.00 C ATOM 440 O PHE A 27 7.276 -5.276 -1.239 1.00 0.00 O ATOM 441 CB PHE A 27 7.426 -5.053 1.537 1.00 0.00 C ATOM 442 CG PHE A 27 7.679 -4.856 3.010 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.967 -4.933 3.520 1.00 0.00 C ATOM 444 CD2 PHE A 27 6.634 -4.609 3.886 1.00 0.00 C ATOM 445 CE1 PHE A 27 9.206 -4.764 4.871 1.00 0.00 C ATOM 446 CE2 PHE A 27 6.867 -4.442 5.240 1.00 0.00 C ATOM 447 CZ PHE A 27 8.154 -4.521 5.732 1.00 0.00 C ATOM 0 H PHE A 27 6.286 -2.936 0.105 1.00 0.00 H new ATOM 0 HA PHE A 27 8.969 -3.675 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.350 -5.125 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.858 -6.007 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.794 -5.128 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.625 -4.546 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.215 -4.822 5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.043 -4.250 5.911 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.338 -4.393 6.788 1.00 0.00 H new ATOM 457 N PRO A 28 9.061 -3.942 -1.573 1.00 0.00 N ATOM 458 CA PRO A 28 9.275 -4.378 -2.944 1.00 0.00 C ATOM 459 C PRO A 28 9.567 -5.881 -2.989 1.00 0.00 C ATOM 460 O PRO A 28 10.556 -6.358 -2.426 1.00 0.00 O ATOM 461 CB PRO A 28 10.484 -3.553 -3.416 1.00 0.00 C ATOM 462 CG PRO A 28 11.103 -3.004 -2.178 1.00 0.00 C ATOM 463 CD PRO A 28 10.004 -2.878 -1.177 1.00 0.00 C ATOM 0 HA PRO A 28 8.404 -4.226 -3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.191 -4.174 -3.966 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.174 -2.752 -4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.889 -3.664 -1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.565 -2.036 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.368 -3.021 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.538 -1.893 -1.213 1.00 0.00 H new ATOM 471 N THR A 29 8.694 -6.620 -3.616 1.00 0.00 N ATOM 472 CA THR A 29 8.815 -8.039 -3.625 1.00 0.00 C ATOM 473 C THR A 29 9.684 -8.523 -4.815 1.00 0.00 C ATOM 474 O THR A 29 9.514 -8.074 -5.954 1.00 0.00 O ATOM 475 CB THR A 29 7.410 -8.717 -3.619 1.00 0.00 C ATOM 476 OG1 THR A 29 7.528 -10.093 -3.270 1.00 0.00 O ATOM 477 CG2 THR A 29 6.711 -8.593 -4.974 1.00 0.00 C ATOM 0 H THR A 29 7.890 -6.255 -4.127 1.00 0.00 H new ATOM 0 HA THR A 29 9.328 -8.340 -2.712 1.00 0.00 H new ATOM 0 HB THR A 29 6.804 -8.198 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.644 -10.628 -4.083 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.736 -9.078 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.580 -7.539 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.318 -9.073 -5.742 1.00 0.00 H new ATOM 485 N PRO A 30 10.646 -9.417 -4.554 1.00 0.00 N ATOM 486 CA PRO A 30 11.519 -9.969 -5.600 1.00 0.00 C ATOM 487 C PRO A 30 10.761 -10.958 -6.495 1.00 0.00 C ATOM 488 O PRO A 30 11.053 -11.110 -7.683 1.00 0.00 O ATOM 489 CB PRO A 30 12.600 -10.705 -4.793 1.00 0.00 C ATOM 490 CG PRO A 30 11.924 -11.076 -3.517 1.00 0.00 C ATOM 491 CD PRO A 30 10.983 -9.949 -3.212 1.00 0.00 C ATOM 0 HA PRO A 30 11.913 -9.203 -6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.960 -11.587 -5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.465 -10.067 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.386 -12.018 -3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.649 -11.208 -2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.096 -10.297 -2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.452 -9.191 -2.585 1.00 0.00 H new ATOM 499 N ASP A 31 9.767 -11.590 -5.921 1.00 0.00 N ATOM 500 CA ASP A 31 8.984 -12.601 -6.591 1.00 0.00 C ATOM 501 C ASP A 31 7.570 -12.583 -6.053 1.00 0.00 C ATOM 502 O ASP A 31 7.345 -12.125 -4.938 1.00 0.00 O ATOM 503 CB ASP A 31 9.591 -13.989 -6.370 1.00 0.00 C ATOM 504 CG ASP A 31 9.653 -14.419 -4.919 1.00 0.00 C ATOM 505 OD1 ASP A 31 10.592 -14.042 -4.202 1.00 0.00 O ATOM 506 OD2 ASP A 31 8.773 -15.184 -4.490 1.00 0.00 O ATOM 0 H ASP A 31 9.474 -11.414 -4.960 1.00 0.00 H new ATOM 0 HA ASP A 31 8.979 -12.386 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.008 -14.721 -6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.599 -14.002 -6.784 1.00 0.00 H new ATOM 511 N PRO A 32 6.583 -13.053 -6.828 1.00 0.00 N ATOM 512 CA PRO A 32 5.203 -13.078 -6.384 1.00 0.00 C ATOM 513 C PRO A 32 4.893 -14.161 -5.331 1.00 0.00 C ATOM 514 O PRO A 32 3.796 -14.186 -4.761 1.00 0.00 O ATOM 515 CB PRO A 32 4.400 -13.305 -7.658 1.00 0.00 C ATOM 516 CG PRO A 32 5.335 -14.014 -8.570 1.00 0.00 C ATOM 517 CD PRO A 32 6.715 -13.525 -8.222 1.00 0.00 C ATOM 0 HA PRO A 32 4.954 -12.149 -5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.508 -13.901 -7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.065 -12.361 -8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.261 -15.094 -8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.098 -13.801 -9.612 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.454 -14.322 -8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.034 -12.723 -8.887 1.00 0.00 H new ATOM 525 N ALA A 33 5.838 -15.040 -5.049 1.00 0.00 N ATOM 526 CA ALA A 33 5.602 -16.058 -4.049 1.00 0.00 C ATOM 527 C ALA A 33 5.972 -15.531 -2.671 1.00 0.00 C ATOM 528 O ALA A 33 5.481 -16.010 -1.655 1.00 0.00 O ATOM 529 CB ALA A 33 6.309 -17.363 -4.371 1.00 0.00 C ATOM 0 H ALA A 33 6.757 -15.068 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 33 4.537 -16.291 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.099 -18.093 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.952 -17.744 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.384 -17.190 -4.427 1.00 0.00 H new ATOM 535 N ALA A 34 6.795 -14.498 -2.647 1.00 0.00 N ATOM 536 CA ALA A 34 7.143 -13.805 -1.413 1.00 0.00 C ATOM 537 C ALA A 34 5.913 -13.091 -0.848 1.00 0.00 C ATOM 538 O ALA A 34 5.875 -12.683 0.310 1.00 0.00 O ATOM 539 CB ALA A 34 8.280 -12.825 -1.666 1.00 0.00 C ATOM 0 H ALA A 34 7.242 -14.114 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 34 7.482 -14.533 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.532 -12.313 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.153 -13.367 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.970 -12.093 -2.412 1.00 0.00 H new ATOM 545 N LEU A 35 4.889 -13.018 -1.676 1.00 0.00 N ATOM 546 CA LEU A 35 3.639 -12.377 -1.357 1.00 0.00 C ATOM 547 C LEU A 35 2.664 -13.365 -0.712 1.00 0.00 C ATOM 548 O LEU A 35 1.512 -13.026 -0.439 1.00 0.00 O ATOM 549 CB LEU A 35 3.032 -11.840 -2.622 1.00 0.00 C ATOM 550 CG LEU A 35 3.912 -10.910 -3.425 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.341 -10.740 -4.805 1.00 0.00 C ATOM 552 CD2 LEU A 35 4.030 -9.573 -2.722 1.00 0.00 C ATOM 0 H LEU A 35 4.910 -13.416 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 35 3.830 -11.570 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.751 -12.682 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.113 -11.312 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 35 4.910 -11.339 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.977 -10.069 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.292 -11.710 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.338 -10.318 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.666 -8.909 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.040 -9.128 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.469 -9.718 -1.735 1.00 0.00 H new ATOM 564 N LYS A 36 3.107 -14.589 -0.511 1.00 0.00 N ATOM 565 CA LYS A 36 2.300 -15.593 0.175 1.00 0.00 C ATOM 566 C LYS A 36 3.152 -16.296 1.229 1.00 0.00 C ATOM 567 O LYS A 36 2.735 -17.268 1.854 1.00 0.00 O ATOM 568 CB LYS A 36 1.709 -16.601 -0.835 1.00 0.00 C ATOM 569 CG LYS A 36 2.746 -17.351 -1.660 1.00 0.00 C ATOM 570 CD LYS A 36 2.153 -18.364 -2.657 1.00 0.00 C ATOM 571 CE LYS A 36 1.429 -17.740 -3.869 1.00 0.00 C ATOM 572 NZ LYS A 36 0.155 -17.060 -3.536 1.00 0.00 N ATOM 0 H LYS A 36 4.024 -14.919 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 36 1.463 -15.104 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.102 -17.326 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.041 -16.068 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.348 -16.627 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.420 -17.877 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.956 -19.004 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.451 -19.006 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.096 -17.022 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.229 -18.523 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.550 -17.263 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.193 -17.405 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.313 -16.034 -3.482 1.00 0.00 H new ATOM 586 N ASP A 37 4.315 -15.740 1.442 1.00 0.00 N ATOM 587 CA ASP A 37 5.349 -16.275 2.330 1.00 0.00 C ATOM 588 C ASP A 37 5.135 -15.796 3.778 1.00 0.00 C ATOM 589 O ASP A 37 4.263 -14.973 4.042 1.00 0.00 O ATOM 590 CB ASP A 37 6.692 -15.785 1.780 1.00 0.00 C ATOM 591 CG ASP A 37 7.889 -16.083 2.604 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.461 -17.176 2.510 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.276 -15.226 3.373 1.00 0.00 O ATOM 0 H ASP A 37 4.592 -14.868 0.991 1.00 0.00 H new ATOM 0 HA ASP A 37 5.314 -17.364 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.838 -16.224 0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.632 -14.705 1.642 1.00 0.00 H new ATOM 598 N ARG A 38 5.935 -16.304 4.697 1.00 0.00 N ATOM 599 CA ARG A 38 5.865 -15.944 6.098 1.00 0.00 C ATOM 600 C ARG A 38 6.218 -14.471 6.308 1.00 0.00 C ATOM 601 O ARG A 38 5.723 -13.825 7.227 1.00 0.00 O ATOM 602 CB ARG A 38 6.774 -16.858 6.925 1.00 0.00 C ATOM 603 CG ARG A 38 8.278 -16.499 7.047 1.00 0.00 C ATOM 604 CD ARG A 38 9.061 -16.797 5.783 1.00 0.00 C ATOM 605 NE ARG A 38 10.485 -16.443 5.895 1.00 0.00 N ATOM 606 CZ ARG A 38 11.346 -16.376 4.859 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.906 -16.482 3.612 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.636 -16.161 5.078 1.00 0.00 N ATOM 0 H ARG A 38 6.662 -16.988 4.486 1.00 0.00 H new ATOM 0 HA ARG A 38 4.839 -16.083 6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.363 -16.908 7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.707 -17.861 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.375 -15.440 7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.713 -17.055 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.973 -17.858 5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.620 -16.249 4.951 1.00 0.00 H new ATOM 0 HE ARG A 38 10.848 -16.233 6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.911 -16.615 3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.563 -16.430 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.979 -16.046 6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.285 -16.111 4.293 1.00 0.00 H new ATOM 622 N ARG A 39 7.053 -13.944 5.436 1.00 0.00 N ATOM 623 CA ARG A 39 7.439 -12.558 5.477 1.00 0.00 C ATOM 624 C ARG A 39 6.209 -11.710 5.165 1.00 0.00 C ATOM 625 O ARG A 39 5.975 -10.667 5.772 1.00 0.00 O ATOM 626 CB ARG A 39 8.508 -12.321 4.427 1.00 0.00 C ATOM 627 CG ARG A 39 9.108 -10.944 4.428 1.00 0.00 C ATOM 628 CD ARG A 39 10.033 -10.775 3.247 1.00 0.00 C ATOM 629 NE ARG A 39 11.111 -11.782 3.236 1.00 0.00 N ATOM 630 CZ ARG A 39 11.506 -12.503 2.164 1.00 0.00 C ATOM 631 NH1 ARG A 39 10.947 -12.310 0.970 1.00 0.00 N ATOM 632 NH2 ARG A 39 12.473 -13.403 2.301 1.00 0.00 N ATOM 0 H ARG A 39 7.483 -14.472 4.677 1.00 0.00 H new ATOM 0 HA ARG A 39 7.831 -12.292 6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.306 -13.048 4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.078 -12.513 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.317 -10.195 4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.657 -10.780 5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.458 -10.850 2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.470 -9.777 3.270 1.00 0.00 H new ATOM 0 HE ARG A 39 11.601 -11.948 4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.212 -11.612 0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.254 -12.861 0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.912 -13.546 3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.777 -13.951 1.497 1.00 0.00 H new ATOM 646 N MET A 40 5.403 -12.218 4.254 1.00 0.00 N ATOM 647 CA MET A 40 4.172 -11.575 3.817 1.00 0.00 C ATOM 648 C MET A 40 3.205 -11.328 4.956 1.00 0.00 C ATOM 649 O MET A 40 2.578 -10.311 4.965 1.00 0.00 O ATOM 650 CB MET A 40 3.513 -12.372 2.672 1.00 0.00 C ATOM 651 CG MET A 40 1.983 -12.218 2.492 1.00 0.00 C ATOM 652 SD MET A 40 1.381 -10.527 2.239 1.00 0.00 S ATOM 653 CE MET A 40 2.390 -9.951 0.905 1.00 0.00 C ATOM 0 H MET A 40 5.585 -13.106 3.786 1.00 0.00 H new ATOM 0 HA MET A 40 4.444 -10.592 3.433 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.994 -12.082 1.738 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.730 -13.429 2.827 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.674 -12.824 1.640 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.490 -12.631 3.372 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.080 -8.945 0.623 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.434 -9.935 1.219 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.279 -10.618 0.050 1.00 0.00 H new ATOM 663 N GLU A 41 3.119 -12.216 5.952 1.00 0.00 N ATOM 664 CA GLU A 41 2.149 -11.969 7.039 1.00 0.00 C ATOM 665 C GLU A 41 2.510 -10.655 7.757 1.00 0.00 C ATOM 666 O GLU A 41 1.647 -9.920 8.176 1.00 0.00 O ATOM 667 CB GLU A 41 2.043 -13.137 8.047 1.00 0.00 C ATOM 668 CG GLU A 41 3.171 -13.214 9.061 1.00 0.00 C ATOM 669 CD GLU A 41 3.015 -14.360 10.037 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.188 -14.247 10.971 1.00 0.00 O ATOM 671 OE2 GLU A 41 3.716 -15.394 9.903 1.00 0.00 O ATOM 0 H GLU A 41 3.673 -13.069 6.035 1.00 0.00 H new ATOM 0 HA GLU A 41 1.163 -11.886 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.098 -13.050 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.009 -14.074 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.119 -13.320 8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.218 -12.277 9.615 1.00 0.00 H new ATOM 678 N ASN A 42 3.802 -10.350 7.785 1.00 0.00 N ATOM 679 CA ASN A 42 4.323 -9.115 8.372 1.00 0.00 C ATOM 680 C ASN A 42 4.032 -7.954 7.445 1.00 0.00 C ATOM 681 O ASN A 42 3.556 -6.890 7.871 1.00 0.00 O ATOM 682 CB ASN A 42 5.844 -9.238 8.603 1.00 0.00 C ATOM 683 CG ASN A 42 6.547 -7.887 8.712 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.069 -7.424 7.592 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.639 -7.295 9.781 1.00 0.00 N flip ATOM 0 H ASN A 42 4.526 -10.956 7.399 1.00 0.00 H new ATOM 0 HA ASN A 42 3.837 -8.941 9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.022 -9.807 9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.285 -9.805 7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.219 -7.692 10.622 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.136 -6.405 9.830 1.00 0.00 H new ATOM 692 N LEU A 43 4.321 -8.188 6.181 1.00 0.00 N ATOM 693 CA LEU A 43 4.114 -7.228 5.104 1.00 0.00 C ATOM 694 C LEU A 43 2.669 -6.763 5.082 1.00 0.00 C ATOM 695 O LEU A 43 2.358 -5.566 5.234 1.00 0.00 O ATOM 696 CB LEU A 43 4.415 -7.911 3.758 1.00 0.00 C ATOM 697 CG LEU A 43 5.863 -7.969 3.232 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.877 -8.086 4.310 1.00 0.00 C ATOM 699 CD2 LEU A 43 6.068 -9.073 2.198 1.00 0.00 C ATOM 0 H LEU A 43 4.717 -9.072 5.861 1.00 0.00 H new ATOM 0 HA LEU A 43 4.773 -6.374 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.053 -8.937 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.814 -7.411 2.999 1.00 0.00 H new ATOM 0 HG LEU A 43 6.016 -7.008 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.874 -8.122 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.804 -7.224 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.699 -8.998 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.105 -9.069 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.836 -10.039 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.410 -8.901 1.347 1.00 0.00 H new ATOM 711 N VAL A 44 1.796 -7.722 4.932 1.00 0.00 N ATOM 712 CA VAL A 44 0.410 -7.482 4.808 1.00 0.00 C ATOM 713 C VAL A 44 -0.168 -6.991 6.117 1.00 0.00 C ATOM 714 O VAL A 44 -1.103 -6.242 6.105 1.00 0.00 O ATOM 715 CB VAL A 44 -0.343 -8.732 4.282 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.553 -9.810 5.326 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.611 -8.368 3.565 1.00 0.00 C ATOM 0 H VAL A 44 2.049 -8.709 4.894 1.00 0.00 H new ATOM 0 HA VAL A 44 0.272 -6.695 4.066 1.00 0.00 H new ATOM 0 HB VAL A 44 0.323 -9.183 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.086 -10.650 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.414 -10.150 5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.138 -9.407 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.104 -9.275 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.274 -7.835 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.377 -7.730 2.713 1.00 0.00 H new ATOM 727 N ALA A 45 0.421 -7.397 7.247 1.00 0.00 N ATOM 728 CA ALA A 45 -0.029 -6.907 8.549 1.00 0.00 C ATOM 729 C ALA A 45 0.095 -5.384 8.607 1.00 0.00 C ATOM 730 O ALA A 45 -0.856 -4.692 8.986 1.00 0.00 O ATOM 731 CB ALA A 45 0.753 -7.547 9.675 1.00 0.00 C ATOM 0 H ALA A 45 1.200 -8.055 7.285 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.076 -7.182 8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.396 -7.163 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.616 -8.628 9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.811 -7.312 9.562 1.00 0.00 H new ATOM 737 N TYR A 46 1.258 -4.861 8.185 1.00 0.00 N ATOM 738 CA TYR A 46 1.457 -3.403 8.089 1.00 0.00 C ATOM 739 C TYR A 46 0.450 -2.804 7.129 1.00 0.00 C ATOM 740 O TYR A 46 -0.154 -1.773 7.413 1.00 0.00 O ATOM 741 CB TYR A 46 2.907 -3.043 7.631 1.00 0.00 C ATOM 742 CG TYR A 46 3.030 -1.652 6.960 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.796 -1.505 5.588 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.326 -0.503 7.685 1.00 0.00 C ATOM 745 CE1 TYR A 46 2.853 -0.279 4.970 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.380 0.740 7.055 1.00 0.00 C ATOM 747 CZ TYR A 46 3.141 0.838 5.699 1.00 0.00 C ATOM 748 OH TYR A 46 3.183 2.073 5.074 1.00 0.00 O ATOM 0 H TYR A 46 2.067 -5.417 7.908 1.00 0.00 H new ATOM 0 HA TYR A 46 1.309 -2.984 9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.569 -3.077 8.496 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.256 -3.804 6.933 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.564 -2.380 4.998 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.516 -0.574 8.746 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.670 -0.200 3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.609 1.626 7.628 1.00 0.00 H new ATOM 0 HH TYR A 46 2.975 1.965 4.122 1.00 0.00 H new ATOM 758 N ALA A 47 0.274 -3.443 6.005 1.00 0.00 N ATOM 759 CA ALA A 47 -0.617 -2.933 4.999 1.00 0.00 C ATOM 760 C ALA A 47 -2.051 -2.869 5.518 1.00 0.00 C ATOM 761 O ALA A 47 -2.724 -1.879 5.335 1.00 0.00 O ATOM 762 CB ALA A 47 -0.502 -3.749 3.745 1.00 0.00 C ATOM 0 H ALA A 47 0.736 -4.319 5.762 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.327 -1.911 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.181 -3.354 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.521 -3.702 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.762 -4.785 3.960 1.00 0.00 H new ATOM 768 N LYS A 48 -2.466 -3.903 6.226 1.00 0.00 N ATOM 769 CA LYS A 48 -3.796 -3.981 6.823 1.00 0.00 C ATOM 770 C LYS A 48 -3.974 -2.919 7.900 1.00 0.00 C ATOM 771 O LYS A 48 -5.015 -2.265 7.970 1.00 0.00 O ATOM 772 CB LYS A 48 -4.012 -5.351 7.453 1.00 0.00 C ATOM 773 CG LYS A 48 -4.067 -6.514 6.472 1.00 0.00 C ATOM 774 CD LYS A 48 -4.018 -7.835 7.218 1.00 0.00 C ATOM 775 CE LYS A 48 -4.035 -9.044 6.289 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.254 -9.127 5.451 1.00 0.00 N ATOM 0 H LYS A 48 -1.887 -4.723 6.407 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.524 -3.815 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.209 -5.536 8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.943 -5.330 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.980 -6.456 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.231 -6.451 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.117 -7.867 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.868 -7.894 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.160 -9.007 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.951 -9.952 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.233 -10.005 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.096 -9.124 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.290 -8.310 4.808 1.00 0.00 H new ATOM 790 N LYS A 49 -2.968 -2.755 8.744 1.00 0.00 N ATOM 791 CA LYS A 49 -3.042 -1.792 9.834 1.00 0.00 C ATOM 792 C LYS A 49 -3.121 -0.360 9.286 1.00 0.00 C ATOM 793 O LYS A 49 -3.921 0.470 9.758 1.00 0.00 O ATOM 794 CB LYS A 49 -1.868 -1.985 10.844 1.00 0.00 C ATOM 795 CG LYS A 49 -0.496 -1.671 10.361 1.00 0.00 C ATOM 796 CD LYS A 49 0.521 -1.983 11.450 1.00 0.00 C ATOM 797 CE LYS A 49 1.892 -1.387 11.176 1.00 0.00 C ATOM 798 NZ LYS A 49 2.794 -1.575 12.331 1.00 0.00 N ATOM 0 H LYS A 49 -2.092 -3.275 8.697 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.960 -1.972 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.069 -1.365 11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.879 -3.022 11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.274 -2.253 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.431 -0.619 10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.151 -1.605 12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.615 -3.064 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.325 -1.855 10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.793 -0.324 10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.723 -1.159 12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.389 -1.107 13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.906 -2.591 12.523 1.00 0.00 H new ATOM 812 N VAL A 50 -2.345 -0.106 8.254 1.00 0.00 N ATOM 813 CA VAL A 50 -2.318 1.178 7.595 1.00 0.00 C ATOM 814 C VAL A 50 -3.604 1.415 6.809 1.00 0.00 C ATOM 815 O VAL A 50 -4.195 2.479 6.905 1.00 0.00 O ATOM 816 CB VAL A 50 -1.045 1.312 6.710 1.00 0.00 C ATOM 817 CG1 VAL A 50 -1.113 2.499 5.769 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.155 1.464 7.616 1.00 0.00 C ATOM 0 H VAL A 50 -1.710 -0.793 7.847 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.265 1.960 8.352 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.968 0.416 6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.200 2.545 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.971 2.389 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.216 3.417 6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.057 1.559 7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.035 2.355 8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.239 0.587 8.258 1.00 0.00 H new ATOM 828 N GLU A 51 -4.050 0.405 6.089 1.00 0.00 N ATOM 829 CA GLU A 51 -5.298 0.463 5.339 1.00 0.00 C ATOM 830 C GLU A 51 -6.443 0.799 6.292 1.00 0.00 C ATOM 831 O GLU A 51 -7.220 1.707 6.034 1.00 0.00 O ATOM 832 CB GLU A 51 -5.506 -0.882 4.619 1.00 0.00 C ATOM 833 CG GLU A 51 -6.720 -1.017 3.707 1.00 0.00 C ATOM 834 CD GLU A 51 -8.040 -1.297 4.458 1.00 0.00 C ATOM 835 OE1 GLU A 51 -8.020 -1.994 5.493 1.00 0.00 O ATOM 836 OE2 GLU A 51 -9.101 -0.873 4.019 1.00 0.00 O ATOM 0 H GLU A 51 -3.558 -0.485 6.005 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.266 1.246 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.615 -1.085 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.568 -1.662 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.831 -0.100 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.540 -1.823 2.996 1.00 0.00 H new ATOM 843 N GLY A 52 -6.478 0.107 7.430 1.00 0.00 N ATOM 844 CA GLY A 52 -7.485 0.355 8.442 1.00 0.00 C ATOM 845 C GLY A 52 -7.403 1.763 8.999 1.00 0.00 C ATOM 846 O GLY A 52 -8.423 2.373 9.334 1.00 0.00 O ATOM 0 H GLY A 52 -5.815 -0.631 7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.475 0.192 8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.366 -0.363 9.254 1.00 0.00 H new ATOM 850 N ASP A 53 -6.197 2.276 9.091 1.00 0.00 N ATOM 851 CA ASP A 53 -5.949 3.635 9.574 1.00 0.00 C ATOM 852 C ASP A 53 -6.634 4.657 8.662 1.00 0.00 C ATOM 853 O ASP A 53 -7.443 5.479 9.118 1.00 0.00 O ATOM 854 CB ASP A 53 -4.449 3.885 9.611 1.00 0.00 C ATOM 855 CG ASP A 53 -4.062 5.227 10.175 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.093 5.399 11.417 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.700 6.127 9.402 1.00 0.00 O ATOM 0 H ASP A 53 -5.350 1.768 8.834 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.360 3.743 10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.976 3.103 10.205 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.052 3.800 8.599 1.00 0.00 H new ATOM 862 N MET A 54 -6.343 4.565 7.383 1.00 0.00 N ATOM 863 CA MET A 54 -6.941 5.457 6.369 1.00 0.00 C ATOM 864 C MET A 54 -8.399 5.191 6.133 1.00 0.00 C ATOM 865 O MET A 54 -9.143 6.111 5.833 1.00 0.00 O ATOM 866 CB MET A 54 -6.162 5.487 5.044 1.00 0.00 C ATOM 867 CG MET A 54 -5.555 4.190 4.622 1.00 0.00 C ATOM 868 SD MET A 54 -3.785 4.392 4.269 1.00 0.00 S ATOM 869 CE MET A 54 -3.210 5.248 5.748 1.00 0.00 C ATOM 0 H MET A 54 -5.691 3.880 7.001 1.00 0.00 H new ATOM 0 HA MET A 54 -6.863 6.453 6.804 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.834 5.826 4.256 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.368 6.229 5.127 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.691 3.447 5.407 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.067 3.815 3.736 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.121 5.217 5.786 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.542 6.286 5.720 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.618 4.760 6.633 1.00 0.00 H new ATOM 879 N TYR A 55 -8.804 3.950 6.290 1.00 0.00 N ATOM 880 CA TYR A 55 -10.181 3.548 6.134 1.00 0.00 C ATOM 881 C TYR A 55 -11.031 4.319 7.129 1.00 0.00 C ATOM 882 O TYR A 55 -11.999 4.958 6.770 1.00 0.00 O ATOM 883 CB TYR A 55 -10.265 2.038 6.382 1.00 0.00 C ATOM 884 CG TYR A 55 -11.604 1.404 6.169 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.985 0.940 4.920 1.00 0.00 C ATOM 886 CD2 TYR A 55 -12.472 1.243 7.225 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.205 0.328 4.734 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.698 0.639 7.053 1.00 0.00 C ATOM 889 CZ TYR A 55 -14.060 0.183 5.803 1.00 0.00 C ATOM 890 OH TYR A 55 -15.277 -0.430 5.626 1.00 0.00 O ATOM 0 H TYR A 55 -8.177 3.183 6.533 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.549 3.764 5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.545 1.544 5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.953 1.842 7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.316 1.060 4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -12.187 1.596 8.205 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.488 -0.035 3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -14.370 0.524 7.890 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.653 -0.669 6.499 1.00 0.00 H new ATOM 900 N GLU A 56 -10.589 4.323 8.360 1.00 0.00 N ATOM 901 CA GLU A 56 -11.291 5.012 9.427 1.00 0.00 C ATOM 902 C GLU A 56 -11.063 6.531 9.363 1.00 0.00 C ATOM 903 O GLU A 56 -11.886 7.318 9.849 1.00 0.00 O ATOM 904 CB GLU A 56 -10.830 4.449 10.760 1.00 0.00 C ATOM 905 CG GLU A 56 -11.179 2.980 10.933 1.00 0.00 C ATOM 906 CD GLU A 56 -12.625 2.739 11.286 1.00 0.00 C ATOM 907 OE1 GLU A 56 -13.521 2.925 10.438 1.00 0.00 O ATOM 908 OE2 GLU A 56 -12.879 2.338 12.447 1.00 0.00 O ATOM 0 H GLU A 56 -9.735 3.852 8.657 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.362 4.849 9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.751 4.574 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.284 5.023 11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.946 2.449 10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.548 2.555 11.713 1.00 0.00 H new ATOM 915 N SER A 57 -9.956 6.942 8.767 1.00 0.00 N ATOM 916 CA SER A 57 -9.629 8.354 8.663 1.00 0.00 C ATOM 917 C SER A 57 -10.385 9.053 7.509 1.00 0.00 C ATOM 918 O SER A 57 -10.374 10.285 7.421 1.00 0.00 O ATOM 919 CB SER A 57 -8.115 8.526 8.488 1.00 0.00 C ATOM 920 OG SER A 57 -7.706 9.892 8.585 1.00 0.00 O ATOM 0 H SER A 57 -9.268 6.317 8.347 1.00 0.00 H new ATOM 0 HA SER A 57 -9.950 8.832 9.588 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.596 7.940 9.246 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.817 8.129 7.518 1.00 0.00 H new ATOM 0 HG SER A 57 -8.413 10.471 8.230 1.00 0.00 H new ATOM 926 N ALA A 58 -11.023 8.295 6.647 1.00 0.00 N ATOM 927 CA ALA A 58 -11.727 8.867 5.513 1.00 0.00 C ATOM 928 C ALA A 58 -13.229 8.793 5.697 1.00 0.00 C ATOM 929 O ALA A 58 -13.728 8.064 6.558 1.00 0.00 O ATOM 930 CB ALA A 58 -11.354 8.132 4.266 1.00 0.00 C ATOM 0 H ALA A 58 -11.071 7.278 6.706 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.439 9.915 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.884 8.564 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.279 8.214 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.626 7.081 4.368 1.00 0.00 H new ATOM 936 N ASN A 59 -13.952 9.537 4.879 1.00 0.00 N ATOM 937 CA ASN A 59 -15.419 9.520 4.920 1.00 0.00 C ATOM 938 C ASN A 59 -15.997 8.909 3.679 1.00 0.00 C ATOM 939 O ASN A 59 -17.197 9.017 3.408 1.00 0.00 O ATOM 940 CB ASN A 59 -16.022 10.897 5.172 1.00 0.00 C ATOM 941 CG ASN A 59 -15.810 11.380 6.583 1.00 0.00 C ATOM 942 OD1 ASN A 59 -16.616 11.098 7.475 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.764 12.132 6.802 1.00 0.00 N ATOM 0 H ASN A 59 -13.556 10.162 4.177 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.688 8.894 5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.582 11.613 4.478 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.091 10.864 4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.592 12.507 7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.120 12.344 6.040 1.00 0.00 H new ATOM 950 N SER A 60 -15.163 8.253 2.933 1.00 0.00 N ATOM 951 CA SER A 60 -15.605 7.479 1.829 1.00 0.00 C ATOM 952 C SER A 60 -14.529 6.530 1.447 1.00 0.00 C ATOM 953 O SER A 60 -13.349 6.766 1.734 1.00 0.00 O ATOM 954 CB SER A 60 -16.014 8.323 0.617 1.00 0.00 C ATOM 955 OG SER A 60 -14.928 9.034 0.076 1.00 0.00 O ATOM 0 H SER A 60 -14.153 8.243 3.078 1.00 0.00 H new ATOM 0 HA SER A 60 -16.502 6.946 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.440 7.674 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.795 9.024 0.911 1.00 0.00 H new ATOM 0 HG SER A 60 -15.231 9.557 -0.695 1.00 0.00 H new ATOM 961 N ARG A 61 -14.929 5.440 0.860 1.00 0.00 N ATOM 962 CA ARG A 61 -13.997 4.478 0.327 1.00 0.00 C ATOM 963 C ARG A 61 -13.100 5.111 -0.708 1.00 0.00 C ATOM 964 O ARG A 61 -11.930 4.882 -0.723 1.00 0.00 O ATOM 965 CB ARG A 61 -14.657 3.212 -0.269 1.00 0.00 C ATOM 966 CG ARG A 61 -15.610 3.409 -1.454 1.00 0.00 C ATOM 967 CD ARG A 61 -16.791 4.194 -1.045 1.00 0.00 C ATOM 968 NE ARG A 61 -17.839 4.241 -2.067 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.877 5.109 -2.086 1.00 0.00 C ATOM 970 NH1 ARG A 61 -19.051 5.993 -1.097 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.743 5.088 -3.094 1.00 0.00 N ATOM 0 H ARG A 61 -15.910 5.189 0.735 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.411 4.149 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.864 2.534 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.208 2.712 0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.090 3.919 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.926 2.439 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.204 3.767 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.478 5.211 -0.808 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.782 3.563 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.397 6.019 -0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.838 6.641 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.625 4.417 -3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.525 5.742 -3.108 1.00 0.00 H new ATOM 985 N ASP A 62 -13.674 5.942 -1.540 1.00 0.00 N ATOM 986 CA ASP A 62 -12.948 6.590 -2.602 1.00 0.00 C ATOM 987 C ASP A 62 -11.912 7.530 -2.035 1.00 0.00 C ATOM 988 O ASP A 62 -10.795 7.590 -2.524 1.00 0.00 O ATOM 989 CB ASP A 62 -13.907 7.323 -3.510 1.00 0.00 C ATOM 990 CG ASP A 62 -14.821 6.402 -4.269 1.00 0.00 C ATOM 991 OD1 ASP A 62 -14.421 5.901 -5.327 1.00 0.00 O ATOM 992 OD2 ASP A 62 -15.977 6.189 -3.818 1.00 0.00 O ATOM 0 H ASP A 62 -14.663 6.189 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.428 5.834 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -14.507 8.011 -2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.339 7.926 -4.218 1.00 0.00 H new ATOM 997 N GLU A 63 -12.284 8.230 -0.977 1.00 0.00 N ATOM 998 CA GLU A 63 -11.384 9.112 -0.253 1.00 0.00 C ATOM 999 C GLU A 63 -10.254 8.341 0.370 1.00 0.00 C ATOM 1000 O GLU A 63 -9.085 8.676 0.171 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.169 9.852 0.805 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.384 10.705 1.767 1.00 0.00 C ATOM 1003 CD GLU A 63 -12.288 11.711 2.395 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.716 12.648 1.688 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.654 11.558 3.567 1.00 0.00 O ATOM 0 H GLU A 63 -13.228 8.202 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.946 9.825 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.897 10.490 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.732 9.120 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.929 10.080 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.571 11.208 1.243 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.604 7.285 1.087 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.626 6.479 1.779 1.00 0.00 C ATOM 1014 C TYR A 64 -8.678 5.842 0.774 1.00 0.00 C ATOM 1015 O TYR A 64 -7.462 5.885 0.948 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.329 5.446 2.718 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.097 3.997 2.425 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -10.918 3.309 1.558 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -9.059 3.323 3.013 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -10.702 1.996 1.279 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -8.840 2.013 2.746 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.661 1.356 1.875 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.430 0.066 1.602 1.00 0.00 O ATOM 0 H TYR A 64 -11.567 6.969 1.202 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.018 7.108 2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.005 5.641 3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.403 5.631 2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -11.747 3.821 1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.407 3.843 3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.349 1.469 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.021 1.492 3.219 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.008 -0.362 2.376 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.259 5.322 -0.299 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.538 4.730 -1.384 1.00 0.00 C ATOM 1035 C TYR A 65 -7.610 5.749 -2.023 1.00 0.00 C ATOM 1036 O TYR A 65 -6.450 5.472 -2.180 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.538 4.039 -2.381 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.101 3.849 -3.816 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.818 3.449 -4.169 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.002 4.093 -4.827 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.462 3.309 -5.486 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.653 3.958 -6.135 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.389 3.571 -6.463 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.046 3.462 -7.776 1.00 0.00 O ATOM 0 H TYR A 65 -10.271 5.307 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.887 3.936 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.787 3.058 -1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.458 4.623 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.092 3.246 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.007 4.398 -4.577 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.463 2.996 -5.751 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.377 4.157 -6.912 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.836 3.218 -8.301 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.108 6.944 -2.296 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.304 7.988 -2.924 1.00 0.00 C ATOM 1056 C HIS A 66 -6.139 8.412 -2.048 1.00 0.00 C ATOM 1057 O HIS A 66 -5.026 8.407 -2.502 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.171 9.189 -3.318 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.463 10.269 -4.076 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.528 10.430 -5.445 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -6.710 11.272 -3.624 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -6.831 11.518 -5.767 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.311 12.076 -4.688 1.00 0.00 N ATOM 0 H HIS A 66 -9.069 7.219 -2.093 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.880 7.566 -3.835 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.005 8.831 -3.922 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.596 9.622 -2.412 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.024 9.822 -6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.449 11.436 -2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.708 11.893 -6.772 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.386 8.735 -0.794 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.309 9.217 0.068 1.00 0.00 C ATOM 1073 C LEU A 67 -4.225 8.124 0.309 1.00 0.00 C ATOM 1074 O LEU A 67 -2.980 8.405 0.297 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.881 9.861 1.369 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.646 8.968 2.355 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.713 8.260 3.280 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.663 9.754 3.154 1.00 0.00 C ATOM 0 H LEU A 67 -7.302 8.677 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.781 10.018 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.049 10.313 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.546 10.672 1.072 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.179 8.228 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.285 7.635 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.032 7.635 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.139 8.992 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.183 9.085 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.156 10.534 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.384 10.210 2.476 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.670 6.872 0.445 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.745 5.776 0.633 1.00 0.00 C ATOM 1092 C LEU A 68 -2.984 5.569 -0.671 1.00 0.00 C ATOM 1093 O LEU A 68 -1.776 5.289 -0.669 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.487 4.487 1.133 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.212 3.568 0.149 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.238 2.619 -0.512 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.277 2.788 0.873 1.00 0.00 C ATOM 0 H LEU A 68 -5.654 6.604 0.427 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.025 6.011 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.751 3.877 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.221 4.807 1.872 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.675 4.181 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.774 1.974 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.484 3.190 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.753 2.008 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.791 2.134 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.818 2.186 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.994 3.478 1.318 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.699 5.782 -1.778 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.155 5.698 -3.108 1.00 0.00 C ATOM 1111 C ALA A 69 -2.101 6.750 -3.320 1.00 0.00 C ATOM 1112 O ALA A 69 -1.120 6.507 -3.975 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.243 5.850 -4.149 1.00 0.00 C ATOM 0 H ALA A 69 -4.690 6.021 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.701 4.713 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.805 5.783 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.981 5.058 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.727 6.819 -4.030 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.295 7.908 -2.734 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.349 8.986 -2.888 1.00 0.00 C ATOM 1121 C GLU A 70 -0.036 8.642 -2.243 1.00 0.00 C ATOM 1122 O GLU A 70 1.040 8.819 -2.859 1.00 0.00 O ATOM 1123 CB GLU A 70 -1.854 10.278 -2.295 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.194 10.708 -2.801 1.00 0.00 C ATOM 1125 CD GLU A 70 -3.466 12.142 -2.439 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -2.920 13.049 -3.109 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -4.187 12.401 -1.449 1.00 0.00 O ATOM 0 H GLU A 70 -3.099 8.127 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.214 9.124 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.906 10.171 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.131 11.066 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.235 10.587 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.969 10.068 -2.379 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.097 8.139 -1.003 1.00 0.00 N ATOM 1135 CA LYS A 71 1.145 7.827 -0.318 1.00 0.00 C ATOM 1136 C LYS A 71 1.865 6.666 -1.010 1.00 0.00 C ATOM 1137 O LYS A 71 3.077 6.701 -1.195 1.00 0.00 O ATOM 1138 CB LYS A 71 0.967 7.624 1.235 1.00 0.00 C ATOM 1139 CG LYS A 71 0.600 6.217 1.790 1.00 0.00 C ATOM 1140 CD LYS A 71 1.812 5.259 1.780 1.00 0.00 C ATOM 1141 CE LYS A 71 1.662 4.075 2.733 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.795 4.485 4.156 1.00 0.00 N ATOM 0 H LYS A 71 -0.953 7.950 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 71 1.792 8.700 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.898 7.930 1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.195 8.317 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.224 6.315 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.205 5.790 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.960 4.883 0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.709 5.818 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.689 3.607 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.417 3.324 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.297 3.744 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.332 5.374 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.850 4.625 4.567 1.00 0.00 H new ATOM 1156 N ILE A 72 1.106 5.666 -1.436 1.00 0.00 N ATOM 1157 CA ILE A 72 1.698 4.510 -2.081 1.00 0.00 C ATOM 1158 C ILE A 72 2.340 4.894 -3.428 1.00 0.00 C ATOM 1159 O ILE A 72 3.459 4.505 -3.716 1.00 0.00 O ATOM 1160 CB ILE A 72 0.681 3.331 -2.264 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.381 2.118 -2.795 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.447 3.679 -3.167 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.470 1.004 -3.207 1.00 0.00 C ATOM 0 H ILE A 72 0.090 5.634 -1.347 1.00 0.00 H new ATOM 0 HA ILE A 72 2.481 4.150 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 72 0.264 3.125 -1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.987 2.410 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.066 1.747 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.119 2.825 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.993 4.529 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.058 3.939 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.063 0.168 -3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.118 0.679 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.198 1.353 -3.994 1.00 0.00 H new ATOM 1175 N TYR A 73 1.628 5.693 -4.192 1.00 0.00 N ATOM 1176 CA TYR A 73 2.020 6.167 -5.513 1.00 0.00 C ATOM 1177 C TYR A 73 3.363 6.878 -5.459 1.00 0.00 C ATOM 1178 O TYR A 73 4.322 6.515 -6.213 1.00 0.00 O ATOM 1179 CB TYR A 73 0.913 7.112 -5.991 1.00 0.00 C ATOM 1180 CG TYR A 73 1.047 7.760 -7.336 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.734 8.940 -7.474 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.416 7.230 -8.447 1.00 0.00 C ATOM 1183 CE1 TYR A 73 1.803 9.587 -8.686 1.00 0.00 C ATOM 1184 CE2 TYR A 73 0.485 7.855 -9.666 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.175 9.036 -9.785 1.00 0.00 C ATOM 1186 OH TYR A 73 1.239 9.673 -11.005 1.00 0.00 O ATOM 0 H TYR A 73 0.718 6.050 -3.901 1.00 0.00 H new ATOM 0 HA TYR A 73 2.139 5.333 -6.205 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.023 6.553 -5.986 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.814 7.906 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.230 9.368 -6.615 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.140 6.309 -8.353 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.344 10.518 -8.777 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.001 7.421 -10.527 1.00 0.00 H new ATOM 0 HH TYR A 73 0.745 9.152 -11.672 1.00 0.00 H new ATOM 1196 N LYS A 74 3.459 7.861 -4.560 1.00 0.00 N ATOM 1197 CA LYS A 74 4.679 8.619 -4.434 1.00 0.00 C ATOM 1198 C LYS A 74 5.805 7.704 -3.987 1.00 0.00 C ATOM 1199 O LYS A 74 6.884 7.786 -4.510 1.00 0.00 O ATOM 1200 CB LYS A 74 4.535 9.826 -3.486 1.00 0.00 C ATOM 1201 CG LYS A 74 4.359 9.465 -2.023 1.00 0.00 C ATOM 1202 CD LYS A 74 4.288 10.691 -1.119 1.00 0.00 C ATOM 1203 CE LYS A 74 3.123 11.601 -1.463 1.00 0.00 C ATOM 1204 NZ LYS A 74 3.078 12.783 -0.581 1.00 0.00 N ATOM 0 H LYS A 74 2.712 8.138 -3.923 1.00 0.00 H new ATOM 0 HA LYS A 74 4.915 9.031 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.418 10.457 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.679 10.421 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.448 8.878 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.189 8.833 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.199 10.369 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.219 11.252 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.207 11.924 -2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.189 11.046 -1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.270 13.382 -0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.973 12.475 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.959 13.326 -0.683 1.00 0.00 H new ATOM 1218 N ILE A 75 5.500 6.777 -3.071 1.00 0.00 N ATOM 1219 CA ILE A 75 6.469 5.824 -2.572 1.00 0.00 C ATOM 1220 C ILE A 75 6.998 4.923 -3.691 1.00 0.00 C ATOM 1221 O ILE A 75 8.198 4.641 -3.738 1.00 0.00 O ATOM 1222 CB ILE A 75 5.894 4.986 -1.370 1.00 0.00 C ATOM 1223 CG1 ILE A 75 6.329 5.560 -0.008 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.248 3.516 -1.465 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.910 6.988 0.256 1.00 0.00 C ATOM 0 H ILE A 75 4.571 6.676 -2.662 1.00 0.00 H new ATOM 0 HA ILE A 75 7.316 6.393 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 75 4.809 5.066 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.921 4.928 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.415 5.499 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.827 2.984 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.840 3.102 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.332 3.402 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.265 7.295 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.339 7.640 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.823 7.060 0.224 1.00 0.00 H new ATOM 1237 N GLN A 76 6.109 4.516 -4.605 1.00 0.00 N ATOM 1238 CA GLN A 76 6.490 3.654 -5.721 1.00 0.00 C ATOM 1239 C GLN A 76 7.542 4.364 -6.548 1.00 0.00 C ATOM 1240 O GLN A 76 8.615 3.851 -6.779 1.00 0.00 O ATOM 1241 CB GLN A 76 5.309 3.378 -6.633 1.00 0.00 C ATOM 1242 CG GLN A 76 4.119 2.701 -6.040 1.00 0.00 C ATOM 1243 CD GLN A 76 4.108 1.203 -6.180 1.00 0.00 C ATOM 1244 OE1 GLN A 76 3.284 0.579 -5.399 1.00 0.00 O flip ATOM 1245 NE2 GLN A 76 4.720 0.638 -7.078 1.00 0.00 N flip ATOM 0 H GLN A 76 5.122 4.772 -4.590 1.00 0.00 H new ATOM 0 HA GLN A 76 6.859 2.714 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.980 4.329 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.662 2.768 -7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.066 2.953 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.220 3.102 -6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.360 1.167 -7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.590 -0.362 -7.233 1.00 0.00 H new ATOM 1254 N LYS A 77 7.244 5.574 -6.965 1.00 0.00 N ATOM 1255 CA LYS A 77 8.196 6.296 -7.779 1.00 0.00 C ATOM 1256 C LYS A 77 9.398 6.813 -7.005 1.00 0.00 C ATOM 1257 O LYS A 77 10.495 6.908 -7.558 1.00 0.00 O ATOM 1258 CB LYS A 77 7.513 7.340 -8.609 1.00 0.00 C ATOM 1259 CG LYS A 77 6.480 8.174 -7.866 1.00 0.00 C ATOM 1260 CD LYS A 77 5.586 8.849 -8.846 1.00 0.00 C ATOM 1261 CE LYS A 77 4.724 7.845 -9.628 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.136 8.431 -10.851 1.00 0.00 N ATOM 0 H LYS A 77 6.375 6.068 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 77 8.630 5.576 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.269 8.008 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.025 6.851 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.894 7.539 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.978 8.916 -7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.938 9.551 -8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.188 9.431 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.333 6.983 -9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.924 7.480 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.127 7.718 -11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.163 8.740 -10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.705 9.248 -11.152 1.00 0.00 H new ATOM 1276 N GLU A 78 9.195 7.088 -5.724 1.00 0.00 N ATOM 1277 CA GLU A 78 10.254 7.499 -4.818 1.00 0.00 C ATOM 1278 C GLU A 78 11.298 6.384 -4.795 1.00 0.00 C ATOM 1279 O GLU A 78 12.492 6.623 -4.975 1.00 0.00 O ATOM 1280 CB GLU A 78 9.675 7.654 -3.409 1.00 0.00 C ATOM 1281 CG GLU A 78 10.505 8.476 -2.436 1.00 0.00 C ATOM 1282 CD GLU A 78 10.448 9.963 -2.724 1.00 0.00 C ATOM 1283 OE1 GLU A 78 9.363 10.555 -2.614 1.00 0.00 O ATOM 1284 OE2 GLU A 78 11.486 10.578 -2.991 1.00 0.00 O ATOM 0 H GLU A 78 8.278 7.031 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 78 10.693 8.443 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.689 8.111 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.532 6.660 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.152 8.294 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.542 8.142 -2.478 1.00 0.00 H new ATOM 1291 N LEU A 79 10.818 5.139 -4.629 1.00 0.00 N ATOM 1292 CA LEU A 79 11.688 3.987 -4.581 1.00 0.00 C ATOM 1293 C LEU A 79 12.349 3.742 -5.926 1.00 0.00 C ATOM 1294 O LEU A 79 13.530 3.394 -5.986 1.00 0.00 O ATOM 1295 CB LEU A 79 10.963 2.715 -4.022 1.00 0.00 C ATOM 1296 CG LEU A 79 9.839 2.055 -4.855 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.398 1.124 -5.935 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.872 1.308 -3.959 1.00 0.00 C ATOM 0 H LEU A 79 9.827 4.921 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 79 12.484 4.209 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.725 1.957 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.540 2.979 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 79 9.300 2.857 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.575 0.682 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.034 1.693 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.983 0.333 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.090 0.852 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.407 0.531 -3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.421 2.003 -3.250 1.00 0.00 H new ATOM 1310 N GLU A 80 11.604 3.971 -6.988 1.00 0.00 N ATOM 1311 CA GLU A 80 12.087 3.772 -8.336 1.00 0.00 C ATOM 1312 C GLU A 80 13.274 4.650 -8.662 1.00 0.00 C ATOM 1313 O GLU A 80 14.333 4.145 -9.052 1.00 0.00 O ATOM 1314 CB GLU A 80 10.963 3.952 -9.361 1.00 0.00 C ATOM 1315 CG GLU A 80 9.973 2.794 -9.405 1.00 0.00 C ATOM 1316 CD GLU A 80 10.596 1.509 -9.907 1.00 0.00 C ATOM 1317 OE1 GLU A 80 11.660 1.109 -9.408 1.00 0.00 O ATOM 1318 OE2 GLU A 80 10.029 0.867 -10.804 1.00 0.00 O ATOM 0 H GLU A 80 10.641 4.302 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 80 12.436 2.741 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.422 4.871 -9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.404 4.078 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.568 2.630 -8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.135 3.062 -10.049 1.00 0.00 H new ATOM 1325 N GLU A 81 13.139 5.935 -8.453 1.00 0.00 N ATOM 1326 CA GLU A 81 14.211 6.843 -8.778 1.00 0.00 C ATOM 1327 C GLU A 81 15.374 6.751 -7.793 1.00 0.00 C ATOM 1328 O GLU A 81 16.544 6.905 -8.197 1.00 0.00 O ATOM 1329 CB GLU A 81 13.716 8.267 -8.927 1.00 0.00 C ATOM 1330 CG GLU A 81 13.034 8.824 -7.709 1.00 0.00 C ATOM 1331 CD GLU A 81 12.611 10.231 -7.922 1.00 0.00 C ATOM 1332 OE1 GLU A 81 13.453 11.128 -7.760 1.00 0.00 O ATOM 1333 OE2 GLU A 81 11.447 10.479 -8.260 1.00 0.00 O ATOM 0 H GLU A 81 12.305 6.374 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 81 14.598 6.529 -9.747 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.562 8.907 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.023 8.311 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.164 8.214 -7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.710 8.771 -6.855 1.00 0.00 H new ATOM 1340 N LYS A 82 15.071 6.462 -6.508 1.00 0.00 N ATOM 1341 CA LYS A 82 16.126 6.334 -5.497 1.00 0.00 C ATOM 1342 C LYS A 82 17.004 5.122 -5.805 1.00 0.00 C ATOM 1343 O LYS A 82 18.193 5.111 -5.490 1.00 0.00 O ATOM 1344 CB LYS A 82 15.557 6.341 -4.029 1.00 0.00 C ATOM 1345 CG LYS A 82 14.816 5.080 -3.575 1.00 0.00 C ATOM 1346 CD LYS A 82 15.759 4.064 -2.958 1.00 0.00 C ATOM 1347 CE LYS A 82 15.148 2.676 -2.877 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.924 2.573 -2.048 1.00 0.00 N ATOM 0 H LYS A 82 14.124 6.317 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 82 16.763 7.217 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.386 6.515 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.879 7.189 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.048 5.351 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.306 4.632 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.676 4.020 -3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.038 4.393 -1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.913 2.340 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.896 1.990 -2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.433 1.682 -2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.184 2.590 -1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.295 3.374 -2.257 1.00 0.00 H new ATOM 1362 N ARG A 83 16.408 4.096 -6.409 1.00 0.00 N ATOM 1363 CA ARG A 83 17.184 2.954 -6.866 1.00 0.00 C ATOM 1364 C ARG A 83 17.904 3.274 -8.172 1.00 0.00 C ATOM 1365 O ARG A 83 19.055 2.880 -8.373 1.00 0.00 O ATOM 1366 CB ARG A 83 16.331 1.691 -7.088 1.00 0.00 C ATOM 1367 CG ARG A 83 15.633 1.142 -5.887 1.00 0.00 C ATOM 1368 CD ARG A 83 15.030 -0.216 -6.186 1.00 0.00 C ATOM 1369 NE ARG A 83 14.061 -0.188 -7.300 1.00 0.00 N ATOM 1370 CZ ARG A 83 13.894 -1.182 -8.197 1.00 0.00 C ATOM 1371 NH1 ARG A 83 14.714 -2.217 -8.213 1.00 0.00 N ATOM 1372 NH2 ARG A 83 12.943 -1.108 -9.099 1.00 0.00 N ATOM 0 H ARG A 83 15.406 4.035 -6.590 1.00 0.00 H new ATOM 0 HA ARG A 83 17.899 2.751 -6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.581 1.914 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.975 0.911 -7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.337 1.058 -5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.850 1.831 -5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.830 -0.917 -6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.534 -0.592 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 83 13.476 0.642 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.482 -2.270 -7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.580 -2.964 -8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.326 -0.296 -9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.821 -1.862 -9.775 1.00 0.00 H new ATOM 1649 N LEU B 114 11.821 2.952 3.654 1.00 0.00 N ATOM 1650 CA LEU B 114 11.567 2.137 2.500 1.00 0.00 C ATOM 1651 C LEU B 114 12.853 1.588 1.916 1.00 0.00 C ATOM 1652 O LEU B 114 12.866 0.508 1.416 1.00 0.00 O ATOM 1653 CB LEU B 114 10.804 2.930 1.456 1.00 0.00 C ATOM 1654 CG LEU B 114 10.473 2.226 0.153 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.680 0.952 0.401 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.703 3.168 -0.727 1.00 0.00 C ATOM 0 HA LEU B 114 10.958 1.289 2.814 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.869 3.267 1.905 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.384 3.822 1.220 1.00 0.00 H new ATOM 0 HG LEU B 114 11.400 1.938 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.458 0.470 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.265 0.274 1.023 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.748 1.197 0.910 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.460 2.672 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.782 3.465 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.307 4.052 -0.930 1.00 0.00 H new ATOM 1668 N LEU B 115 13.937 2.346 1.982 1.00 0.00 N ATOM 1669 CA LEU B 115 15.233 1.861 1.506 1.00 0.00 C ATOM 1670 C LEU B 115 15.703 0.696 2.378 1.00 0.00 C ATOM 1671 O LEU B 115 16.312 -0.263 1.889 1.00 0.00 O ATOM 1672 CB LEU B 115 16.273 2.993 1.464 1.00 0.00 C ATOM 1673 CG LEU B 115 17.686 2.618 0.977 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.661 2.039 -0.441 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.592 3.836 1.034 1.00 0.00 C ATOM 0 H LEU B 115 13.950 3.294 2.357 1.00 0.00 H new ATOM 0 HA LEU B 115 15.118 1.501 0.484 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.890 3.783 0.819 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.359 3.413 2.466 1.00 0.00 H new ATOM 0 HG LEU B 115 18.076 1.845 1.640 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.676 1.787 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.043 1.141 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.246 2.777 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.589 3.564 0.688 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.188 4.620 0.394 1.00 0.00 H new ATOM 0 HD23 LEU B 115 18.650 4.199 2.060 1.00 0.00 H new ATOM 1687 N THR B 116 15.367 0.760 3.643 1.00 0.00 N ATOM 1688 CA THR B 116 15.657 -0.303 4.571 1.00 0.00 C ATOM 1689 C THR B 116 14.872 -1.574 4.160 1.00 0.00 C ATOM 1690 O THR B 116 15.437 -2.668 4.078 1.00 0.00 O ATOM 1691 CB THR B 116 15.300 0.144 6.005 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.965 1.403 6.274 1.00 0.00 O ATOM 1693 CG2 THR B 116 15.748 -0.886 7.033 1.00 0.00 C ATOM 0 H THR B 116 14.882 1.555 4.059 1.00 0.00 H new ATOM 0 HA THR B 116 16.721 -0.538 4.549 1.00 0.00 H new ATOM 0 HB THR B 116 14.218 0.251 6.080 1.00 0.00 H new ATOM 0 HG1 THR B 116 15.746 1.701 7.182 1.00 0.00 H new ATOM 0 HG21 THR B 116 15.482 -0.542 8.033 1.00 0.00 H new ATOM 0 HG22 THR B 116 15.255 -1.837 6.834 1.00 0.00 H new ATOM 0 HG23 THR B 116 16.828 -1.017 6.970 1.00 0.00 H new ATOM 1701 N SER B 117 13.599 -1.405 3.839 1.00 0.00 N ATOM 1702 CA SER B 117 12.757 -2.502 3.365 1.00 0.00 C ATOM 1703 C SER B 117 13.234 -2.974 1.964 1.00 0.00 C ATOM 1704 O SER B 117 13.224 -4.154 1.645 1.00 0.00 O ATOM 1705 CB SER B 117 11.316 -2.002 3.286 1.00 0.00 C ATOM 1706 OG SER B 117 10.942 -1.357 4.500 1.00 0.00 O ATOM 0 H SER B 117 13.118 -0.508 3.898 1.00 0.00 H new ATOM 0 HA SER B 117 12.823 -3.346 4.051 1.00 0.00 H new ATOM 0 HB2 SER B 117 11.211 -1.308 2.452 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.645 -2.839 3.091 1.00 0.00 H new ATOM 0 HG SER B 117 10.017 -1.041 4.431 1.00 0.00 H new ATOM 1712 N ASP B 118 13.689 -2.019 1.179 1.00 0.00 N ATOM 1713 CA ASP B 118 14.177 -2.204 -0.198 1.00 0.00 C ATOM 1714 C ASP B 118 15.419 -3.087 -0.194 1.00 0.00 C ATOM 1715 O ASP B 118 15.650 -3.872 -1.112 1.00 0.00 O ATOM 1716 CB ASP B 118 14.541 -0.831 -0.759 1.00 0.00 C ATOM 1717 CG ASP B 118 14.564 -0.738 -2.253 1.00 0.00 C ATOM 1718 OD1 ASP B 118 15.426 -1.333 -2.894 1.00 0.00 O ATOM 1719 OD2 ASP B 118 13.711 -0.004 -2.801 1.00 0.00 O ATOM 0 H ASP B 118 13.736 -1.047 1.484 1.00 0.00 H new ATOM 0 HA ASP B 118 13.407 -2.679 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.829 -0.100 -0.376 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.523 -0.549 -0.378 1.00 0.00 H new ATOM 1958 N MET B 141 -11.969 -1.076 -11.786 1.00 0.00 N ATOM 1959 CA MET B 141 -11.053 -0.082 -11.240 1.00 0.00 C ATOM 1960 C MET B 141 -9.667 -0.077 -11.912 1.00 0.00 C ATOM 1961 O MET B 141 -8.932 0.862 -11.736 1.00 0.00 O ATOM 1962 CB MET B 141 -10.899 -0.327 -9.747 1.00 0.00 C ATOM 1963 CG MET B 141 -10.148 0.736 -8.984 1.00 0.00 C ATOM 1964 SD MET B 141 -9.993 0.339 -7.232 1.00 0.00 S ATOM 1965 CE MET B 141 -9.158 -1.248 -7.302 1.00 0.00 C ATOM 0 HA MET B 141 -11.488 0.897 -11.439 1.00 0.00 H new ATOM 0 HB2 MET B 141 -11.892 -0.429 -9.310 1.00 0.00 H new ATOM 0 HB3 MET B 141 -10.389 -1.280 -9.604 1.00 0.00 H new ATOM 0 HG2 MET B 141 -9.155 0.857 -9.416 1.00 0.00 H new ATOM 0 HG3 MET B 141 -10.662 1.691 -9.094 1.00 0.00 H new ATOM 0 HE1 MET B 141 -8.698 -1.460 -6.337 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.880 -2.029 -7.539 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.388 -1.220 -8.073 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.356 -1.104 -12.699 1.00 0.00 N ATOM 1976 CA GLU B 142 -8.009 -1.299 -13.326 1.00 0.00 C ATOM 1977 C GLU B 142 -7.294 -0.030 -13.829 1.00 0.00 C ATOM 1978 O GLU B 142 -6.208 0.302 -13.336 1.00 0.00 O ATOM 1979 CB GLU B 142 -8.076 -2.343 -14.426 1.00 0.00 C ATOM 1980 CG GLU B 142 -8.073 -3.760 -13.905 1.00 0.00 C ATOM 1981 CD GLU B 142 -6.738 -4.125 -13.296 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -5.847 -4.578 -14.043 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -6.551 -3.985 -12.068 1.00 0.00 O ATOM 0 H GLU B 142 -10.021 -1.841 -12.934 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.385 -1.645 -12.502 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.978 -2.182 -15.016 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -7.228 -2.208 -15.097 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -8.858 -3.876 -13.158 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -8.303 -4.448 -14.718 1.00 0.00 H new ATOM 1990 N SER B 143 -7.896 0.683 -14.755 1.00 0.00 N ATOM 1991 CA SER B 143 -7.262 1.856 -15.332 1.00 0.00 C ATOM 1992 C SER B 143 -7.123 2.961 -14.271 1.00 0.00 C ATOM 1993 O SER B 143 -6.076 3.627 -14.166 1.00 0.00 O ATOM 1994 CB SER B 143 -8.088 2.345 -16.521 1.00 0.00 C ATOM 1995 OG SER B 143 -8.342 1.277 -17.442 1.00 0.00 O ATOM 0 H SER B 143 -8.823 0.475 -15.127 1.00 0.00 H new ATOM 0 HA SER B 143 -6.262 1.596 -15.680 1.00 0.00 H new ATOM 0 HB2 SER B 143 -9.033 2.758 -16.167 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.559 3.151 -17.030 1.00 0.00 H new ATOM 0 HG SER B 143 -8.873 1.613 -18.194 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.151 3.098 -13.450 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.190 4.105 -12.403 1.00 0.00 C ATOM 2003 C ILE B 144 -7.108 3.840 -11.351 1.00 0.00 C ATOM 2004 O ILE B 144 -6.285 4.700 -11.089 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.595 4.180 -11.722 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.669 4.555 -12.757 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.591 5.194 -10.570 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -12.091 4.516 -12.223 1.00 0.00 C ATOM 0 H ILE B 144 -8.985 2.512 -13.491 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.995 5.068 -12.876 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.828 3.198 -11.311 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.461 5.557 -13.132 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.593 3.875 -13.605 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.580 5.228 -10.112 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -8.855 4.894 -9.824 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.335 6.181 -10.955 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.785 4.793 -13.016 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -12.321 3.509 -11.875 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -12.188 5.218 -11.394 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.075 2.636 -10.811 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.144 2.308 -9.740 1.00 0.00 C ATOM 2022 C ILE B 145 -4.712 2.290 -10.219 1.00 0.00 C ATOM 2023 O ILE B 145 -3.790 2.610 -9.469 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.493 0.981 -8.987 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.562 0.808 -7.782 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.411 -0.236 -9.913 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -5.893 -0.347 -6.894 1.00 0.00 C ATOM 0 H ILE B 145 -7.681 1.866 -11.095 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.253 3.114 -9.014 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.523 1.051 -8.638 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.541 0.689 -8.144 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -5.585 1.722 -7.189 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.660 -1.137 -9.353 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.115 -0.115 -10.737 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.400 -0.324 -10.310 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.180 -0.388 -6.070 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.900 -0.223 -6.497 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -5.840 -1.273 -7.467 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.500 1.931 -11.444 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.170 1.928 -11.939 1.00 0.00 C ATOM 2041 C ARG B 146 -2.668 3.359 -12.069 1.00 0.00 C ATOM 2042 O ARG B 146 -1.679 3.711 -11.463 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.070 1.118 -13.214 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.657 0.887 -13.711 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.651 -0.205 -14.765 1.00 0.00 C ATOM 2046 NE ARG B 146 -2.601 0.073 -15.839 1.00 0.00 N ATOM 2047 CZ ARG B 146 -3.439 -0.823 -16.381 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -3.504 -2.072 -15.910 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -4.235 -0.453 -17.373 1.00 0.00 N ATOM 0 H ARG B 146 -5.219 1.642 -12.107 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.508 1.430 -11.231 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.546 0.151 -13.052 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.637 1.625 -13.995 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.254 1.810 -14.129 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -1.011 0.605 -12.879 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -0.649 -0.302 -15.182 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.897 -1.160 -14.300 1.00 0.00 H new ATOM 0 HE ARG B 146 -2.629 1.024 -16.206 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -2.912 -2.354 -15.129 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -4.146 -2.743 -16.332 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -4.207 0.506 -17.718 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -4.876 -1.127 -17.791 1.00 0.00 H new ATOM 2063 N SER B 147 -3.427 4.200 -12.729 1.00 0.00 N ATOM 2064 CA SER B 147 -3.019 5.579 -12.915 1.00 0.00 C ATOM 2065 C SER B 147 -2.998 6.382 -11.582 1.00 0.00 C ATOM 2066 O SER B 147 -2.068 7.140 -11.332 1.00 0.00 O ATOM 2067 CB SER B 147 -3.915 6.254 -13.961 1.00 0.00 C ATOM 2068 OG SER B 147 -5.293 6.140 -13.611 1.00 0.00 O ATOM 0 H SER B 147 -4.326 3.960 -13.146 1.00 0.00 H new ATOM 0 HA SER B 147 -1.992 5.573 -13.280 1.00 0.00 H new ATOM 0 HB2 SER B 147 -3.646 7.306 -14.050 1.00 0.00 H new ATOM 0 HB3 SER B 147 -3.746 5.798 -14.937 1.00 0.00 H new ATOM 0 HG SER B 147 -5.667 5.330 -14.016 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.011 6.194 -10.745 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.151 6.949 -9.497 1.00 0.00 C ATOM 2076 C GLU B 148 -3.280 6.401 -8.360 1.00 0.00 C ATOM 2077 O GLU B 148 -2.681 7.173 -7.605 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.639 7.009 -9.065 1.00 0.00 C ATOM 2079 CG GLU B 148 -5.905 7.783 -7.772 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.379 7.919 -7.440 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -8.014 8.910 -7.884 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -7.919 7.083 -6.713 1.00 0.00 O ATOM 0 H GLU B 148 -4.758 5.518 -10.907 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.793 7.958 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.217 7.464 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.008 5.991 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -5.400 7.281 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.467 8.777 -7.856 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.198 5.094 -8.251 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.546 4.477 -7.110 1.00 0.00 C ATOM 2091 C LEU B 149 -1.093 4.037 -7.369 1.00 0.00 C ATOM 2092 O LEU B 149 -0.261 4.155 -6.476 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.471 3.368 -6.512 1.00 0.00 C ATOM 2094 CG LEU B 149 -3.015 2.597 -5.256 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -4.213 2.077 -4.485 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -2.159 1.421 -5.636 1.00 0.00 C ATOM 0 H LEU B 149 -3.573 4.436 -8.935 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.415 5.241 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.430 3.832 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.653 2.635 -7.298 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.444 3.289 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.871 1.536 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -4.839 2.915 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.791 1.406 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -1.848 0.891 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.730 0.747 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.278 1.771 -6.173 1.00 0.00 H new