USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 883 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 43 THR OG1 : rot -15:sc= 0.179 USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= 0.264 USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot 79:sc= 1.13 USER MOD Set 3.1: A 18 MET CE :methyl -110:sc= -0.141 (180deg=-3.08!) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 171:sc= -0.0878 (180deg=-0.346) USER MOD Set 4.1: A 13 GLN : amide:sc= -1.49! C(o=-1.5!,f=-6!) USER MOD Set 4.2: A 54 HIS : no HD1:sc= 0 X(o=-1.5,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.913 (180deg=0.5) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -170:sc= 0.79 USER MOD Single : A 22 SER OG : rot 82:sc= 0.856 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.202 F(o=-1.1,f=-0.2) USER MOD Single : A 28 SER OG : rot 165:sc= -0.314 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 32 THR OG1 : rot 77:sc= 1.31 USER MOD Single : A 34 CYS SG : rot -23:sc= 0.00831 USER MOD Single : A 42 CYS SG : rot 160:sc= 0.0529 USER MOD Single : A 53 GLN : amide:sc= -3.17! C(o=-3.2!,f=-3.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -45:sc= 0.144 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.58 F(o=-2!,f=-0.58) USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.6) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 44:sc= 0.303 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 174:sc=-0.00296 (180deg=-0.0584) USER MOD Single : A 107 LYS NZ :NH3+ -154:sc= 1.27 (180deg=1.13) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.545 -23.913 23.876 1.00 0.00 N ATOM 2 CA MET A 1 4.517 -22.998 22.710 1.00 0.00 C ATOM 3 C MET A 1 5.893 -22.895 22.068 1.00 0.00 C ATOM 4 O MET A 1 6.007 -22.865 20.842 1.00 0.00 O ATOM 5 CB MET A 1 4.044 -21.600 23.122 1.00 0.00 C ATOM 6 CG MET A 1 2.588 -21.535 23.566 1.00 0.00 C ATOM 7 SD MET A 1 2.295 -22.376 25.134 1.00 0.00 S ATOM 8 CE MET A 1 0.521 -22.175 25.290 1.00 0.00 C ATOM 0 H1 MET A 1 3.608 -23.928 24.328 1.00 0.00 H new ATOM 0 H2 MET A 1 4.792 -24.872 23.559 1.00 0.00 H new ATOM 0 H3 MET A 1 5.254 -23.581 24.560 1.00 0.00 H new ATOM 0 HA MET A 1 3.815 -23.412 21.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.676 -21.241 23.934 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.186 -20.919 22.283 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.287 -20.491 23.657 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.958 -21.982 22.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.182 -22.643 26.214 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.275 -21.113 25.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.025 -22.646 24.441 1.00 0.00 H new ATOM 20 N THR A 2 6.935 -22.820 22.902 1.00 0.00 N ATOM 21 CA THR A 2 8.322 -22.720 22.435 1.00 0.00 C ATOM 22 C THR A 2 8.627 -21.331 21.858 1.00 0.00 C ATOM 23 O THR A 2 9.635 -20.711 22.207 1.00 0.00 O ATOM 24 CB THR A 2 8.650 -23.814 21.395 1.00 0.00 C ATOM 25 OG1 THR A 2 8.333 -25.102 21.941 1.00 0.00 O ATOM 26 CG2 THR A 2 10.121 -23.779 21.003 1.00 0.00 C ATOM 0 H THR A 2 6.842 -22.827 23.918 1.00 0.00 H new ATOM 0 HA THR A 2 8.959 -22.873 23.306 1.00 0.00 H new ATOM 0 HB THR A 2 8.053 -23.627 20.502 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.539 -25.797 21.281 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.321 -24.561 20.270 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.359 -22.807 20.571 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.737 -23.944 21.887 1.00 0.00 H new ATOM 34 N LYS A 3 7.754 -20.845 20.986 1.00 0.00 N ATOM 35 CA LYS A 3 7.902 -19.516 20.413 1.00 0.00 C ATOM 36 C LYS A 3 7.506 -18.444 21.424 1.00 0.00 C ATOM 37 O LYS A 3 6.376 -17.952 21.418 1.00 0.00 O ATOM 38 CB LYS A 3 7.056 -19.372 19.146 1.00 0.00 C ATOM 39 CG LYS A 3 7.523 -20.229 17.982 1.00 0.00 C ATOM 40 CD LYS A 3 6.605 -20.059 16.784 1.00 0.00 C ATOM 41 CE LYS A 3 7.138 -20.783 15.561 1.00 0.00 C ATOM 42 NZ LYS A 3 6.206 -20.669 14.411 1.00 0.00 N ATOM 0 H LYS A 3 6.933 -21.355 20.660 1.00 0.00 H new ATOM 0 HA LYS A 3 8.951 -19.382 20.151 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.024 -19.631 19.381 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.060 -18.327 18.837 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.541 -19.954 17.707 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.546 -21.277 18.282 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.613 -20.439 17.029 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.493 -18.998 16.559 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.108 -20.369 15.286 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.296 -21.835 15.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.601 -21.175 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.288 -21.086 14.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.075 -19.666 14.168 1.00 0.00 H new ATOM 56 N ASN A 4 8.427 -18.122 22.314 1.00 0.00 N ATOM 57 CA ASN A 4 8.209 -17.066 23.287 1.00 0.00 C ATOM 58 C ASN A 4 8.737 -15.750 22.732 1.00 0.00 C ATOM 59 O ASN A 4 8.176 -14.682 22.971 1.00 0.00 O ATOM 60 CB ASN A 4 8.907 -17.410 24.602 1.00 0.00 C ATOM 61 CG ASN A 4 8.555 -16.446 25.718 1.00 0.00 C ATOM 62 OD1 ASN A 4 9.237 -15.443 25.930 1.00 0.00 O ATOM 63 ND2 ASN A 4 7.486 -16.743 26.442 1.00 0.00 N ATOM 0 H ASN A 4 9.337 -18.578 22.383 1.00 0.00 H new ATOM 0 HA ASN A 4 7.141 -16.967 23.482 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.633 -18.422 24.901 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.986 -17.404 24.449 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.202 -16.131 27.207 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.947 -17.584 26.235 1.00 0.00 H new ATOM 70 N THR A 5 9.813 -15.849 21.971 1.00 0.00 N ATOM 71 CA THR A 5 10.407 -14.695 21.325 1.00 0.00 C ATOM 72 C THR A 5 9.989 -14.656 19.857 1.00 0.00 C ATOM 73 O THR A 5 9.530 -15.663 19.309 1.00 0.00 O ATOM 74 CB THR A 5 11.950 -14.727 21.443 1.00 0.00 C ATOM 75 OG1 THR A 5 12.519 -13.503 20.966 1.00 0.00 O ATOM 76 CG2 THR A 5 12.537 -15.899 20.669 1.00 0.00 C ATOM 0 H THR A 5 10.296 -16.728 21.785 1.00 0.00 H new ATOM 0 HA THR A 5 10.050 -13.795 21.825 1.00 0.00 H new ATOM 0 HB THR A 5 12.196 -14.849 22.498 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.495 -13.541 21.050 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.622 -15.895 20.771 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.139 -16.833 21.066 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.271 -15.809 19.616 1.00 0.00 H new ATOM 84 N ARG A 6 10.139 -13.502 19.226 1.00 0.00 N ATOM 85 CA ARG A 6 9.735 -13.337 17.837 1.00 0.00 C ATOM 86 C ARG A 6 10.572 -12.256 17.166 1.00 0.00 C ATOM 87 O ARG A 6 10.608 -11.113 17.627 1.00 0.00 O ATOM 88 CB ARG A 6 8.249 -12.964 17.756 1.00 0.00 C ATOM 89 CG ARG A 6 7.702 -12.941 16.336 1.00 0.00 C ATOM 90 CD ARG A 6 6.291 -12.375 16.278 1.00 0.00 C ATOM 91 NE ARG A 6 5.353 -13.120 17.115 1.00 0.00 N ATOM 92 CZ ARG A 6 4.029 -13.072 16.973 1.00 0.00 C ATOM 93 NH1 ARG A 6 3.485 -12.404 15.963 1.00 0.00 N ATOM 94 NH2 ARG A 6 3.251 -13.722 17.829 1.00 0.00 N ATOM 0 H ARG A 6 10.537 -12.666 19.653 1.00 0.00 H new ATOM 0 HA ARG A 6 9.894 -14.282 17.318 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.672 -13.675 18.347 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.104 -11.983 18.208 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.359 -12.343 15.704 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.704 -13.953 15.930 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.308 -11.333 16.597 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.940 -12.387 15.246 1.00 0.00 H new ATOM 0 HE ARG A 6 5.735 -13.712 17.852 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.081 -11.923 15.289 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.471 -12.372 15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.667 -14.256 18.592 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.237 -13.688 17.724 1.00 0.00 H new ATOM 108 N PHE A 7 11.253 -12.617 16.088 1.00 0.00 N ATOM 109 CA PHE A 7 12.019 -11.645 15.329 1.00 0.00 C ATOM 110 C PHE A 7 11.125 -10.942 14.320 1.00 0.00 C ATOM 111 O PHE A 7 11.022 -11.348 13.162 1.00 0.00 O ATOM 112 CB PHE A 7 13.217 -12.298 14.633 1.00 0.00 C ATOM 113 CG PHE A 7 14.326 -12.671 15.577 1.00 0.00 C ATOM 114 CD1 PHE A 7 14.352 -13.916 16.184 1.00 0.00 C ATOM 115 CD2 PHE A 7 15.343 -11.771 15.857 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.371 -14.258 17.052 1.00 0.00 C ATOM 117 CE2 PHE A 7 16.364 -12.106 16.727 1.00 0.00 C ATOM 118 CZ PHE A 7 16.378 -13.353 17.324 1.00 0.00 C ATOM 0 H PHE A 7 11.290 -13.569 15.723 1.00 0.00 H new ATOM 0 HA PHE A 7 12.409 -10.903 16.026 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.880 -13.192 14.109 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.607 -11.614 13.879 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.567 -14.628 15.976 1.00 0.00 H new ATOM 0 HD2 PHE A 7 15.338 -10.797 15.390 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.380 -15.232 17.518 1.00 0.00 H new ATOM 0 HE2 PHE A 7 17.149 -11.395 16.940 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.175 -13.619 18.002 1.00 0.00 H new ATOM 128 N SER A 8 10.444 -9.911 14.791 1.00 0.00 N ATOM 129 CA SER A 8 9.577 -9.107 13.953 1.00 0.00 C ATOM 130 C SER A 8 10.421 -8.178 13.084 1.00 0.00 C ATOM 131 O SER A 8 11.499 -7.745 13.500 1.00 0.00 O ATOM 132 CB SER A 8 8.616 -8.295 14.838 1.00 0.00 C ATOM 133 OG SER A 8 7.751 -7.480 14.063 1.00 0.00 O ATOM 0 H SER A 8 10.478 -9.610 15.765 1.00 0.00 H new ATOM 0 HA SER A 8 8.990 -9.755 13.302 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.024 -8.975 15.451 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.191 -7.669 15.521 1.00 0.00 H new ATOM 0 HG SER A 8 7.261 -6.870 14.653 1.00 0.00 H new ATOM 139 N PRO A 9 9.954 -7.865 11.862 1.00 0.00 N ATOM 140 CA PRO A 9 10.618 -6.900 10.978 1.00 0.00 C ATOM 141 C PRO A 9 10.803 -5.544 11.658 1.00 0.00 C ATOM 142 O PRO A 9 11.662 -4.751 11.272 1.00 0.00 O ATOM 143 CB PRO A 9 9.664 -6.775 9.781 1.00 0.00 C ATOM 144 CG PRO A 9 8.380 -7.395 10.223 1.00 0.00 C ATOM 145 CD PRO A 9 8.755 -8.438 11.235 1.00 0.00 C ATOM 0 HA PRO A 9 11.619 -7.227 10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.520 -5.731 9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.065 -7.286 8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.715 -6.649 10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.851 -7.840 9.381 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.958 -8.603 11.961 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.964 -9.400 10.767 1.00 0.00 H new ATOM 153 N GLU A 10 9.998 -5.305 12.688 1.00 0.00 N ATOM 154 CA GLU A 10 10.091 -4.093 13.490 1.00 0.00 C ATOM 155 C GLU A 10 11.452 -4.007 14.174 1.00 0.00 C ATOM 156 O GLU A 10 12.007 -2.924 14.340 1.00 0.00 O ATOM 157 CB GLU A 10 8.982 -4.085 14.534 1.00 0.00 C ATOM 158 CG GLU A 10 7.590 -4.190 13.936 1.00 0.00 C ATOM 159 CD GLU A 10 6.532 -4.397 14.992 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.128 -3.407 15.634 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.111 -5.555 15.196 1.00 0.00 O ATOM 0 H GLU A 10 9.264 -5.946 12.989 1.00 0.00 H new ATOM 0 HA GLU A 10 9.979 -3.228 12.836 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.137 -4.915 15.224 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.050 -3.168 15.119 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.368 -3.283 13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.562 -5.018 13.228 1.00 0.00 H new ATOM 168 N VAL A 11 11.994 -5.162 14.551 1.00 0.00 N ATOM 169 CA VAL A 11 13.303 -5.220 15.196 1.00 0.00 C ATOM 170 C VAL A 11 14.386 -4.771 14.220 1.00 0.00 C ATOM 171 O VAL A 11 15.298 -4.027 14.582 1.00 0.00 O ATOM 172 CB VAL A 11 13.624 -6.643 15.706 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.992 -6.689 16.374 1.00 0.00 C ATOM 174 CG2 VAL A 11 12.544 -7.128 16.661 1.00 0.00 C ATOM 0 H VAL A 11 11.548 -6.070 14.421 1.00 0.00 H new ATOM 0 HA VAL A 11 13.279 -4.549 16.055 1.00 0.00 H new ATOM 0 HB VAL A 11 13.647 -7.311 14.845 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.192 -7.702 16.724 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.758 -6.395 15.656 1.00 0.00 H new ATOM 0 HG13 VAL A 11 15.006 -6.003 17.221 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.789 -8.132 17.008 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.484 -6.453 17.515 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.584 -7.147 16.145 1.00 0.00 H new ATOM 184 N ARG A 12 14.255 -5.210 12.974 1.00 0.00 N ATOM 185 CA ARG A 12 15.164 -4.802 11.913 1.00 0.00 C ATOM 186 C ARG A 12 15.068 -3.296 11.693 1.00 0.00 C ATOM 187 O ARG A 12 16.080 -2.618 11.508 1.00 0.00 O ATOM 188 CB ARG A 12 14.829 -5.552 10.619 1.00 0.00 C ATOM 189 CG ARG A 12 15.596 -5.057 9.401 1.00 0.00 C ATOM 190 CD ARG A 12 15.286 -5.890 8.168 1.00 0.00 C ATOM 191 NE ARG A 12 13.861 -5.880 7.843 1.00 0.00 N ATOM 192 CZ ARG A 12 13.216 -6.919 7.310 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.884 -8.013 6.978 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.915 -6.849 7.070 1.00 0.00 N ATOM 0 H ARG A 12 13.522 -5.853 12.674 1.00 0.00 H new ATOM 0 HA ARG A 12 16.185 -5.048 12.205 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.038 -6.612 10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.760 -5.461 10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.342 -4.014 9.210 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.666 -5.092 9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.854 -5.507 7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.613 -6.917 8.333 1.00 0.00 H new ATOM 0 HE ARG A 12 13.330 -5.031 8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.891 -8.061 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.391 -8.808 6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.400 -5.997 7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.428 -7.647 6.662 1.00 0.00 H new ATOM 208 N GLN A 13 13.844 -2.780 11.737 1.00 0.00 N ATOM 209 CA GLN A 13 13.607 -1.360 11.529 1.00 0.00 C ATOM 210 C GLN A 13 14.222 -0.542 12.664 1.00 0.00 C ATOM 211 O GLN A 13 14.827 0.507 12.429 1.00 0.00 O ATOM 212 CB GLN A 13 12.107 -1.077 11.420 1.00 0.00 C ATOM 213 CG GLN A 13 11.793 0.268 10.790 1.00 0.00 C ATOM 214 CD GLN A 13 12.162 0.329 9.313 1.00 0.00 C ATOM 215 OE1 GLN A 13 13.086 -0.345 8.848 1.00 0.00 O ATOM 216 NE2 GLN A 13 11.445 1.149 8.565 1.00 0.00 N ATOM 0 H GLN A 13 13.001 -3.326 11.915 1.00 0.00 H new ATOM 0 HA GLN A 13 14.083 -1.066 10.594 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.638 -1.865 10.831 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.664 -1.116 12.415 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.729 0.477 10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.331 1.050 11.327 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.689 1.691 8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.648 1.240 7.570 1.00 0.00 H new ATOM 225 N ARG A 14 14.067 -1.027 13.897 1.00 0.00 N ATOM 226 CA ARG A 14 14.694 -0.394 15.054 1.00 0.00 C ATOM 227 C ARG A 14 16.200 -0.326 14.851 1.00 0.00 C ATOM 228 O ARG A 14 16.823 0.715 15.058 1.00 0.00 O ATOM 229 CB ARG A 14 14.416 -1.173 16.344 1.00 0.00 C ATOM 230 CG ARG A 14 12.952 -1.291 16.732 1.00 0.00 C ATOM 231 CD ARG A 14 12.815 -2.022 18.058 1.00 0.00 C ATOM 232 NE ARG A 14 11.437 -2.401 18.363 1.00 0.00 N ATOM 233 CZ ARG A 14 11.105 -3.272 19.318 1.00 0.00 C ATOM 234 NH1 ARG A 14 12.054 -3.817 20.072 1.00 0.00 N ATOM 235 NH2 ARG A 14 9.833 -3.593 19.521 1.00 0.00 N ATOM 0 H ARG A 14 13.513 -1.855 14.118 1.00 0.00 H new ATOM 0 HA ARG A 14 14.271 0.606 15.148 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.828 -2.176 16.238 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.953 -0.692 17.162 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.508 -0.299 16.808 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.405 -1.826 15.956 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.436 -2.917 18.038 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.196 -1.387 18.858 1.00 0.00 H new ATOM 0 HE ARG A 14 10.688 -1.977 17.816 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.032 -3.569 19.920 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.805 -4.483 20.803 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.103 -3.173 18.945 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.586 -4.259 20.253 1.00 0.00 H new ATOM 249 N ALA A 15 16.766 -1.455 14.433 1.00 0.00 N ATOM 250 CA ALA A 15 18.204 -1.586 14.234 1.00 0.00 C ATOM 251 C ALA A 15 18.737 -0.529 13.280 1.00 0.00 C ATOM 252 O ALA A 15 19.705 0.164 13.592 1.00 0.00 O ATOM 253 CB ALA A 15 18.538 -2.970 13.713 1.00 0.00 C ATOM 0 H ALA A 15 16.240 -2.303 14.223 1.00 0.00 H new ATOM 0 HA ALA A 15 18.685 -1.438 15.201 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.615 -3.054 13.569 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.209 -3.719 14.433 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.031 -3.133 12.762 1.00 0.00 H new ATOM 259 N VAL A 16 18.093 -0.404 12.126 1.00 0.00 N ATOM 260 CA VAL A 16 18.510 0.564 11.117 1.00 0.00 C ATOM 261 C VAL A 16 18.526 1.975 11.697 1.00 0.00 C ATOM 262 O VAL A 16 19.481 2.729 11.494 1.00 0.00 O ATOM 263 CB VAL A 16 17.586 0.528 9.879 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.028 1.553 8.843 1.00 0.00 C ATOM 265 CG2 VAL A 16 17.561 -0.865 9.271 1.00 0.00 C ATOM 0 H VAL A 16 17.279 -0.961 11.865 1.00 0.00 H new ATOM 0 HA VAL A 16 19.518 0.289 10.805 1.00 0.00 H new ATOM 0 HB VAL A 16 16.577 0.783 10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.363 1.509 7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.991 2.551 9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.048 1.334 8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 16 16.905 -0.870 8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.569 -1.148 8.968 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.191 -1.577 10.008 1.00 0.00 H new ATOM 275 N ARG A 17 17.483 2.314 12.444 1.00 0.00 N ATOM 276 CA ARG A 17 17.375 3.636 13.045 1.00 0.00 C ATOM 277 C ARG A 17 18.483 3.849 14.079 1.00 0.00 C ATOM 278 O ARG A 17 19.105 4.911 14.123 1.00 0.00 O ATOM 279 CB ARG A 17 16.013 3.826 13.714 1.00 0.00 C ATOM 280 CG ARG A 17 15.673 5.287 13.957 1.00 0.00 C ATOM 281 CD ARG A 17 14.780 5.465 15.173 1.00 0.00 C ATOM 282 NE ARG A 17 15.495 5.177 16.418 1.00 0.00 N ATOM 283 CZ ARG A 17 16.273 6.055 17.052 1.00 0.00 C ATOM 284 NH1 ARG A 17 16.437 7.280 16.560 1.00 0.00 N ATOM 285 NH2 ARG A 17 16.883 5.714 18.179 1.00 0.00 N ATOM 0 H ARG A 17 16.701 1.692 12.648 1.00 0.00 H new ATOM 0 HA ARG A 17 17.480 4.371 12.247 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.241 3.378 13.089 1.00 0.00 H new ATOM 0 HB3 ARG A 17 16.003 3.293 14.665 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.592 5.856 14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.175 5.695 13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.401 6.487 15.199 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.916 4.806 15.089 1.00 0.00 H new ATOM 0 HE ARG A 17 15.392 4.248 16.825 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.967 7.550 15.696 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.033 7.950 17.047 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.758 4.778 18.564 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.477 6.388 18.661 1.00 0.00 H new ATOM 299 N MET A 18 18.723 2.831 14.906 1.00 0.00 N ATOM 300 CA MET A 18 19.762 2.896 15.931 1.00 0.00 C ATOM 301 C MET A 18 21.132 3.088 15.293 1.00 0.00 C ATOM 302 O MET A 18 21.945 3.879 15.775 1.00 0.00 O ATOM 303 CB MET A 18 19.765 1.624 16.791 1.00 0.00 C ATOM 304 CG MET A 18 18.474 1.398 17.561 1.00 0.00 C ATOM 305 SD MET A 18 18.509 -0.115 18.543 1.00 0.00 S ATOM 306 CE MET A 18 16.818 -0.175 19.127 1.00 0.00 C ATOM 0 H MET A 18 18.210 1.950 14.885 1.00 0.00 H new ATOM 0 HA MET A 18 19.545 3.750 16.572 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.949 0.763 16.148 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.593 1.677 17.497 1.00 0.00 H new ATOM 0 HG2 MET A 18 18.293 2.249 18.218 1.00 0.00 H new ATOM 0 HG3 MET A 18 17.640 1.353 16.860 1.00 0.00 H new ATOM 0 HE1 MET A 18 16.796 0.027 20.198 1.00 0.00 H new ATOM 0 HE2 MET A 18 16.226 0.576 18.604 1.00 0.00 H new ATOM 0 HE3 MET A 18 16.402 -1.164 18.935 1.00 0.00 H new ATOM 316 N VAL A 19 21.381 2.365 14.201 1.00 0.00 N ATOM 317 CA VAL A 19 22.632 2.496 13.468 1.00 0.00 C ATOM 318 C VAL A 19 22.808 3.923 12.962 1.00 0.00 C ATOM 319 O VAL A 19 23.866 4.516 13.126 1.00 0.00 O ATOM 320 CB VAL A 19 22.710 1.510 12.275 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.963 1.753 11.447 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.674 0.070 12.763 1.00 0.00 C ATOM 0 H VAL A 19 20.731 1.684 13.808 1.00 0.00 H new ATOM 0 HA VAL A 19 23.436 2.252 14.162 1.00 0.00 H new ATOM 0 HB VAL A 19 21.841 1.685 11.641 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.993 1.048 10.617 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.950 2.771 11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.845 1.615 12.072 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.730 -0.605 11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.521 -0.111 13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.745 -0.107 13.305 1.00 0.00 H new ATOM 332 N LEU A 20 21.760 4.480 12.376 1.00 0.00 N ATOM 333 CA LEU A 20 21.815 5.841 11.847 1.00 0.00 C ATOM 334 C LEU A 20 22.078 6.855 12.959 1.00 0.00 C ATOM 335 O LEU A 20 22.966 7.706 12.841 1.00 0.00 O ATOM 336 CB LEU A 20 20.512 6.185 11.124 1.00 0.00 C ATOM 337 CG LEU A 20 20.165 5.284 9.935 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.860 5.730 9.291 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.296 5.287 8.919 1.00 0.00 C ATOM 0 H LEU A 20 20.861 4.015 12.253 1.00 0.00 H new ATOM 0 HA LEU A 20 22.641 5.890 11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.694 6.140 11.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.572 7.215 10.773 1.00 0.00 H new ATOM 0 HG LEU A 20 20.035 4.265 10.299 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.629 5.079 8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.055 5.674 10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.960 6.757 8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.034 4.642 8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.459 6.303 8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.208 4.918 9.389 1.00 0.00 H new ATOM 351 N GLU A 21 21.320 6.743 14.040 1.00 0.00 N ATOM 352 CA GLU A 21 21.434 7.670 15.160 1.00 0.00 C ATOM 353 C GLU A 21 22.823 7.600 15.784 1.00 0.00 C ATOM 354 O GLU A 21 23.442 8.628 16.060 1.00 0.00 O ATOM 355 CB GLU A 21 20.359 7.352 16.198 1.00 0.00 C ATOM 356 CG GLU A 21 20.312 8.322 17.365 1.00 0.00 C ATOM 357 CD GLU A 21 19.043 8.170 18.170 1.00 0.00 C ATOM 358 OE1 GLU A 21 18.996 7.308 19.069 1.00 0.00 O ATOM 359 OE2 GLU A 21 18.067 8.895 17.880 1.00 0.00 O ATOM 0 H GLU A 21 20.616 6.016 14.167 1.00 0.00 H new ATOM 0 HA GLU A 21 21.286 8.686 14.794 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.386 7.346 15.706 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.528 6.346 16.583 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.174 8.156 18.011 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.386 9.343 16.992 1.00 0.00 H new ATOM 366 N SER A 22 23.317 6.384 15.976 1.00 0.00 N ATOM 367 CA SER A 22 24.638 6.182 16.556 1.00 0.00 C ATOM 368 C SER A 22 25.737 6.533 15.549 1.00 0.00 C ATOM 369 O SER A 22 26.850 6.890 15.933 1.00 0.00 O ATOM 370 CB SER A 22 24.786 4.738 17.030 1.00 0.00 C ATOM 371 OG SER A 22 23.721 4.372 17.893 1.00 0.00 O ATOM 0 H SER A 22 22.823 5.523 15.739 1.00 0.00 H new ATOM 0 HA SER A 22 24.744 6.847 17.413 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.807 4.070 16.169 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.737 4.618 17.549 1.00 0.00 H new ATOM 0 HG SER A 22 22.937 4.126 17.359 1.00 0.00 H new ATOM 377 N GLN A 23 25.413 6.449 14.261 1.00 0.00 N ATOM 378 CA GLN A 23 26.347 6.820 13.202 1.00 0.00 C ATOM 379 C GLN A 23 26.653 8.312 13.276 1.00 0.00 C ATOM 380 O GLN A 23 27.739 8.758 12.904 1.00 0.00 O ATOM 381 CB GLN A 23 25.759 6.470 11.832 1.00 0.00 C ATOM 382 CG GLN A 23 26.704 6.721 10.672 1.00 0.00 C ATOM 383 CD GLN A 23 26.068 6.439 9.323 1.00 0.00 C ATOM 384 OE1 GLN A 23 24.768 6.675 9.209 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 26.742 6.026 8.384 1.00 0.00 N flip ATOM 0 H GLN A 23 24.506 6.126 13.925 1.00 0.00 H new ATOM 0 HA GLN A 23 27.273 6.262 13.338 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.469 5.419 11.830 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.850 7.052 11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 23 27.040 7.758 10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.589 6.096 10.789 1.00 0.00 H new ATOM 0 HE21 GLN A 23 27.740 5.856 8.509 1.00 0.00 H new ATOM 0 HE22 GLN A 23 26.304 5.853 7.479 1.00 0.00 H new ATOM 394 N GLY A 24 25.677 9.076 13.753 1.00 0.00 N ATOM 395 CA GLY A 24 25.881 10.497 13.969 1.00 0.00 C ATOM 396 C GLY A 24 26.684 10.778 15.231 1.00 0.00 C ATOM 397 O GLY A 24 27.075 11.917 15.487 1.00 0.00 O ATOM 0 H GLY A 24 24.746 8.736 13.995 1.00 0.00 H new ATOM 0 HA2 GLY A 24 26.398 10.923 13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.914 10.995 14.038 1.00 0.00 H new ATOM 401 N GLU A 25 26.924 9.738 16.023 1.00 0.00 N ATOM 402 CA GLU A 25 27.716 9.862 17.243 1.00 0.00 C ATOM 403 C GLU A 25 29.147 9.389 17.003 1.00 0.00 C ATOM 404 O GLU A 25 30.107 10.122 17.251 1.00 0.00 O ATOM 405 CB GLU A 25 27.095 9.037 18.375 1.00 0.00 C ATOM 406 CG GLU A 25 25.708 9.489 18.792 1.00 0.00 C ATOM 407 CD GLU A 25 25.135 8.624 19.896 1.00 0.00 C ATOM 408 OE1 GLU A 25 25.635 8.703 21.041 1.00 0.00 O ATOM 409 OE2 GLU A 25 24.184 7.863 19.631 1.00 0.00 O ATOM 0 H GLU A 25 26.580 8.795 15.841 1.00 0.00 H new ATOM 0 HA GLU A 25 27.727 10.914 17.529 1.00 0.00 H new ATOM 0 HB2 GLU A 25 27.045 7.994 18.063 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.754 9.079 19.242 1.00 0.00 H new ATOM 0 HG2 GLU A 25 25.751 10.525 19.129 1.00 0.00 H new ATOM 0 HG3 GLU A 25 25.043 9.462 17.929 1.00 0.00 H new ATOM 416 N TYR A 26 29.277 8.161 16.521 1.00 0.00 N ATOM 417 CA TYR A 26 30.582 7.548 16.304 1.00 0.00 C ATOM 418 C TYR A 26 31.287 8.141 15.089 1.00 0.00 C ATOM 419 O TYR A 26 30.668 8.793 14.248 1.00 0.00 O ATOM 420 CB TYR A 26 30.432 6.035 16.125 1.00 0.00 C ATOM 421 CG TYR A 26 30.003 5.303 17.378 1.00 0.00 C ATOM 422 CD1 TYR A 26 28.662 5.190 17.722 1.00 0.00 C ATOM 423 CD2 TYR A 26 30.945 4.716 18.210 1.00 0.00 C ATOM 424 CE1 TYR A 26 28.274 4.514 18.861 1.00 0.00 C ATOM 425 CE2 TYR A 26 30.565 4.038 19.350 1.00 0.00 C ATOM 426 CZ TYR A 26 29.230 3.941 19.671 1.00 0.00 C ATOM 427 OH TYR A 26 28.848 3.264 20.807 1.00 0.00 O ATOM 0 H TYR A 26 28.488 7.565 16.271 1.00 0.00 H new ATOM 0 HA TYR A 26 31.192 7.754 17.183 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.703 5.844 15.338 1.00 0.00 H new ATOM 0 HB3 TYR A 26 31.383 5.624 15.785 1.00 0.00 H new ATOM 0 HD1 TYR A 26 27.911 5.638 17.088 1.00 0.00 H new ATOM 0 HD2 TYR A 26 31.993 4.791 17.961 1.00 0.00 H new ATOM 0 HE1 TYR A 26 27.227 4.435 19.116 1.00 0.00 H new ATOM 0 HE2 TYR A 26 31.311 3.586 19.987 1.00 0.00 H new ATOM 0 HH TYR A 26 29.643 2.920 21.265 1.00 0.00 H new ATOM 437 N ASP A 27 32.590 7.913 15.011 1.00 0.00 N ATOM 438 CA ASP A 27 33.378 8.356 13.869 1.00 0.00 C ATOM 439 C ASP A 27 33.348 7.297 12.779 1.00 0.00 C ATOM 440 O ASP A 27 33.821 7.518 11.664 1.00 0.00 O ATOM 441 CB ASP A 27 34.829 8.619 14.285 1.00 0.00 C ATOM 442 CG ASP A 27 35.582 7.339 14.595 1.00 0.00 C ATOM 443 OD1 ASP A 27 35.324 6.735 15.657 1.00 0.00 O ATOM 444 OD2 ASP A 27 36.431 6.927 13.774 1.00 0.00 O ATOM 0 H ASP A 27 33.126 7.422 15.727 1.00 0.00 H new ATOM 0 HA ASP A 27 32.946 9.283 13.491 1.00 0.00 H new ATOM 0 HB2 ASP A 27 35.342 9.155 13.486 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.841 9.266 15.162 1.00 0.00 H new ATOM 449 N SER A 28 32.786 6.147 13.111 1.00 0.00 N ATOM 450 CA SER A 28 32.747 5.031 12.193 1.00 0.00 C ATOM 451 C SER A 28 31.395 4.334 12.239 1.00 0.00 C ATOM 452 O SER A 28 30.871 4.037 13.317 1.00 0.00 O ATOM 453 CB SER A 28 33.858 4.037 12.537 1.00 0.00 C ATOM 454 OG SER A 28 33.841 2.926 11.662 1.00 0.00 O ATOM 0 H SER A 28 32.350 5.966 14.015 1.00 0.00 H new ATOM 0 HA SER A 28 32.900 5.412 11.183 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.826 4.535 12.478 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.738 3.695 13.565 1.00 0.00 H new ATOM 0 HG SER A 28 34.686 2.435 11.740 1.00 0.00 H new ATOM 460 N GLN A 29 30.839 4.075 11.066 1.00 0.00 N ATOM 461 CA GLN A 29 29.610 3.311 10.943 1.00 0.00 C ATOM 462 C GLN A 29 29.892 1.853 11.288 1.00 0.00 C ATOM 463 O GLN A 29 29.022 1.123 11.767 1.00 0.00 O ATOM 464 CB GLN A 29 29.080 3.416 9.514 1.00 0.00 C ATOM 465 CG GLN A 29 27.727 2.757 9.303 1.00 0.00 C ATOM 466 CD GLN A 29 27.345 2.687 7.839 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.757 3.522 7.033 1.00 0.00 O ATOM 468 NE2 GLN A 29 26.553 1.687 7.480 1.00 0.00 N ATOM 0 H GLN A 29 31.226 4.388 10.176 1.00 0.00 H new ATOM 0 HA GLN A 29 28.860 3.707 11.627 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.005 4.469 9.242 1.00 0.00 H new ATOM 0 HB3 GLN A 29 29.803 2.962 8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.747 1.750 9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 29 26.965 3.313 9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 29 26.232 1.015 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 29 26.264 1.589 6.507 1.00 0.00 H new ATOM 477 N TRP A 30 31.135 1.457 11.053 1.00 0.00 N ATOM 478 CA TRP A 30 31.596 0.108 11.340 1.00 0.00 C ATOM 479 C TRP A 30 31.548 -0.131 12.844 1.00 0.00 C ATOM 480 O TRP A 30 30.962 -1.108 13.319 1.00 0.00 O ATOM 481 CB TRP A 30 33.031 -0.080 10.827 1.00 0.00 C ATOM 482 CG TRP A 30 33.215 0.216 9.360 1.00 0.00 C ATOM 483 CD1 TRP A 30 32.701 1.269 8.656 1.00 0.00 C ATOM 484 CD2 TRP A 30 34.003 -0.533 8.430 1.00 0.00 C ATOM 485 NE1 TRP A 30 33.100 1.208 7.346 1.00 0.00 N ATOM 486 CE2 TRP A 30 33.906 0.111 7.181 1.00 0.00 C ATOM 487 CE3 TRP A 30 34.781 -1.689 8.532 1.00 0.00 C ATOM 488 CZ2 TRP A 30 34.560 -0.362 6.045 1.00 0.00 C ATOM 489 CZ3 TRP A 30 35.425 -2.159 7.405 1.00 0.00 C ATOM 490 CH2 TRP A 30 35.313 -1.497 6.176 1.00 0.00 C ATOM 0 H TRP A 30 31.853 2.064 10.657 1.00 0.00 H new ATOM 0 HA TRP A 30 30.948 -0.609 10.836 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.696 0.565 11.401 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.340 -1.107 11.019 1.00 0.00 H new ATOM 0 HD1 TRP A 30 32.070 2.040 9.073 1.00 0.00 H new ATOM 0 HE1 TRP A 30 32.840 1.870 6.614 1.00 0.00 H new ATOM 0 HE3 TRP A 30 34.877 -2.206 9.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 34.476 0.148 5.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 36.026 -3.054 7.472 1.00 0.00 H new ATOM 0 HH2 TRP A 30 35.831 -1.890 5.314 1.00 0.00 H new ATOM 501 N ALA A 31 32.146 0.795 13.588 1.00 0.00 N ATOM 502 CA ALA A 31 32.137 0.739 15.043 1.00 0.00 C ATOM 503 C ALA A 31 30.719 0.874 15.578 1.00 0.00 C ATOM 504 O ALA A 31 30.391 0.343 16.640 1.00 0.00 O ATOM 505 CB ALA A 31 33.031 1.828 15.617 1.00 0.00 C ATOM 0 H ALA A 31 32.645 1.597 13.203 1.00 0.00 H new ATOM 0 HA ALA A 31 32.526 -0.231 15.354 1.00 0.00 H new ATOM 0 HB1 ALA A 31 33.015 1.775 16.706 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.052 1.686 15.261 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.667 2.804 15.296 1.00 0.00 H new ATOM 511 N THR A 32 29.884 1.578 14.830 1.00 0.00 N ATOM 512 CA THR A 32 28.484 1.721 15.177 1.00 0.00 C ATOM 513 C THR A 32 27.793 0.358 15.171 1.00 0.00 C ATOM 514 O THR A 32 27.214 -0.056 16.172 1.00 0.00 O ATOM 515 CB THR A 32 27.768 2.678 14.204 1.00 0.00 C ATOM 516 OG1 THR A 32 28.350 3.987 14.284 1.00 0.00 O ATOM 517 CG2 THR A 32 26.286 2.758 14.514 1.00 0.00 C ATOM 0 H THR A 32 30.157 2.061 13.974 1.00 0.00 H new ATOM 0 HA THR A 32 28.428 2.145 16.180 1.00 0.00 H new ATOM 0 HB THR A 32 27.890 2.288 13.193 1.00 0.00 H new ATOM 0 HG1 THR A 32 29.201 3.997 13.799 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.804 3.440 13.813 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.841 1.767 14.421 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.146 3.125 15.531 1.00 0.00 H new ATOM 525 N ILE A 33 27.894 -0.351 14.048 1.00 0.00 N ATOM 526 CA ILE A 33 27.287 -1.673 13.909 1.00 0.00 C ATOM 527 C ILE A 33 27.792 -2.620 14.996 1.00 0.00 C ATOM 528 O ILE A 33 27.020 -3.381 15.584 1.00 0.00 O ATOM 529 CB ILE A 33 27.578 -2.270 12.513 1.00 0.00 C ATOM 530 CG1 ILE A 33 26.867 -1.449 11.432 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.155 -3.729 12.446 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.081 -1.971 10.029 1.00 0.00 C ATOM 0 H ILE A 33 28.393 -0.030 13.218 1.00 0.00 H new ATOM 0 HA ILE A 33 26.209 -1.556 14.020 1.00 0.00 H new ATOM 0 HB ILE A 33 28.653 -2.227 12.336 1.00 0.00 H new ATOM 0 HG12 ILE A 33 25.798 -1.434 11.645 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.217 -0.418 11.483 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.370 -4.125 11.454 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.705 -4.302 13.193 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.086 -3.807 12.644 1.00 0.00 H new ATOM 0 HD11 ILE A 33 26.547 -1.338 9.320 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.146 -1.960 9.795 1.00 0.00 H new ATOM 0 HD13 ILE A 33 26.705 -2.992 9.959 1.00 0.00 H new ATOM 544 N CYS A 34 29.084 -2.535 15.279 1.00 0.00 N ATOM 545 CA CYS A 34 29.714 -3.360 16.301 1.00 0.00 C ATOM 546 C CYS A 34 29.097 -3.095 17.675 1.00 0.00 C ATOM 547 O CYS A 34 29.062 -3.978 18.534 1.00 0.00 O ATOM 548 CB CYS A 34 31.219 -3.075 16.332 1.00 0.00 C ATOM 549 SG CYS A 34 32.155 -4.062 17.522 1.00 0.00 S ATOM 0 H CYS A 34 29.724 -1.895 14.809 1.00 0.00 H new ATOM 0 HA CYS A 34 29.548 -4.409 16.055 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.628 -3.249 15.337 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.370 -2.020 16.559 1.00 0.00 H new ATOM 0 HG CYS A 34 31.360 -4.476 18.463 1.00 0.00 H new ATOM 555 N SER A 35 28.590 -1.885 17.869 1.00 0.00 N ATOM 556 CA SER A 35 28.039 -1.486 19.157 1.00 0.00 C ATOM 557 C SER A 35 26.522 -1.681 19.206 1.00 0.00 C ATOM 558 O SER A 35 25.929 -1.707 20.284 1.00 0.00 O ATOM 559 CB SER A 35 28.392 -0.028 19.443 1.00 0.00 C ATOM 560 OG SER A 35 29.796 0.177 19.355 1.00 0.00 O ATOM 0 H SER A 35 28.549 -1.162 17.150 1.00 0.00 H new ATOM 0 HA SER A 35 28.479 -2.124 19.923 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.880 0.621 18.733 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.041 0.248 20.437 1.00 0.00 H new ATOM 0 HG SER A 35 30.059 0.241 18.413 1.00 0.00 H new ATOM 566 N ILE A 36 25.898 -1.819 18.043 1.00 0.00 N ATOM 567 CA ILE A 36 24.455 -2.024 17.970 1.00 0.00 C ATOM 568 C ILE A 36 24.112 -3.500 18.166 1.00 0.00 C ATOM 569 O ILE A 36 23.011 -3.849 18.601 1.00 0.00 O ATOM 570 CB ILE A 36 23.884 -1.522 16.623 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.185 -0.034 16.444 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.384 -1.768 16.530 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.571 0.850 17.512 1.00 0.00 C ATOM 0 H ILE A 36 26.367 -1.793 17.138 1.00 0.00 H new ATOM 0 HA ILE A 36 23.998 -1.444 18.772 1.00 0.00 H new ATOM 0 HB ILE A 36 24.367 -2.084 15.824 1.00 0.00 H new ATOM 0 HG12 ILE A 36 25.265 0.111 16.444 1.00 0.00 H new ATOM 0 HG13 ILE A 36 23.820 0.286 15.468 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.014 -1.404 15.572 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.185 -2.836 16.614 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.878 -1.240 17.338 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.829 1.891 17.316 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.487 0.737 17.499 1.00 0.00 H new ATOM 0 HD13 ILE A 36 23.955 0.559 18.490 1.00 0.00 H new ATOM 585 N ALA A 37 25.078 -4.362 17.869 1.00 0.00 N ATOM 586 CA ALA A 37 24.911 -5.799 18.047 1.00 0.00 C ATOM 587 C ALA A 37 24.485 -6.150 19.485 1.00 0.00 C ATOM 588 O ALA A 37 23.462 -6.814 19.677 1.00 0.00 O ATOM 589 CB ALA A 37 26.189 -6.535 17.644 1.00 0.00 C ATOM 0 H ALA A 37 25.989 -4.088 17.502 1.00 0.00 H new ATOM 0 HA ALA A 37 24.105 -6.130 17.392 1.00 0.00 H new ATOM 0 HB1 ALA A 37 26.050 -7.607 17.782 1.00 0.00 H new ATOM 0 HB2 ALA A 37 26.412 -6.330 16.597 1.00 0.00 H new ATOM 0 HB3 ALA A 37 27.017 -6.193 18.265 1.00 0.00 H new ATOM 595 N PRO A 38 25.222 -5.687 20.526 1.00 0.00 N ATOM 596 CA PRO A 38 24.875 -5.971 21.920 1.00 0.00 C ATOM 597 C PRO A 38 23.801 -5.025 22.452 1.00 0.00 C ATOM 598 O PRO A 38 23.500 -5.010 23.646 1.00 0.00 O ATOM 599 CB PRO A 38 26.198 -5.764 22.680 1.00 0.00 C ATOM 600 CG PRO A 38 27.211 -5.352 21.656 1.00 0.00 C ATOM 601 CD PRO A 38 26.443 -4.875 20.460 1.00 0.00 C ATOM 0 HA PRO A 38 24.460 -6.972 22.036 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.089 -4.999 23.449 1.00 0.00 H new ATOM 0 HB3 PRO A 38 26.505 -6.681 23.184 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.854 -4.562 22.044 1.00 0.00 H new ATOM 0 HG3 PRO A 38 27.858 -6.189 21.392 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.225 -3.808 20.516 1.00 0.00 H new ATOM 0 HD3 PRO A 38 26.991 -5.040 19.533 1.00 0.00 H new ATOM 609 N LYS A 39 23.237 -4.225 21.558 1.00 0.00 N ATOM 610 CA LYS A 39 22.173 -3.296 21.912 1.00 0.00 C ATOM 611 C LYS A 39 20.812 -3.966 21.748 1.00 0.00 C ATOM 612 O LYS A 39 19.851 -3.637 22.444 1.00 0.00 O ATOM 613 CB LYS A 39 22.270 -2.038 21.036 1.00 0.00 C ATOM 614 CG LYS A 39 21.115 -1.061 21.192 1.00 0.00 C ATOM 615 CD LYS A 39 21.026 -0.499 22.602 1.00 0.00 C ATOM 616 CE LYS A 39 19.881 0.496 22.725 1.00 0.00 C ATOM 617 NZ LYS A 39 18.577 -0.115 22.352 1.00 0.00 N ATOM 0 H LYS A 39 23.502 -4.201 20.573 1.00 0.00 H new ATOM 0 HA LYS A 39 22.284 -3.003 22.956 1.00 0.00 H new ATOM 0 HB2 LYS A 39 23.200 -1.520 21.271 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.330 -2.344 19.991 1.00 0.00 H new ATOM 0 HG2 LYS A 39 21.236 -0.242 20.483 1.00 0.00 H new ATOM 0 HG3 LYS A 39 20.180 -1.563 20.943 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.882 -1.313 23.313 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.965 -0.011 22.862 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.829 0.866 23.749 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.076 1.356 22.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.806 0.540 22.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.563 -0.307 21.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.449 -1.006 22.873 1.00 0.00 H new ATOM 631 N ILE A 40 20.744 -4.913 20.822 1.00 0.00 N ATOM 632 CA ILE A 40 19.513 -5.645 20.569 1.00 0.00 C ATOM 633 C ILE A 40 19.653 -7.095 21.023 1.00 0.00 C ATOM 634 O ILE A 40 18.744 -7.657 21.635 1.00 0.00 O ATOM 635 CB ILE A 40 19.142 -5.613 19.068 1.00 0.00 C ATOM 636 CG1 ILE A 40 18.995 -4.166 18.591 1.00 0.00 C ATOM 637 CG2 ILE A 40 17.856 -6.393 18.814 1.00 0.00 C ATOM 638 CD1 ILE A 40 18.721 -4.041 17.110 1.00 0.00 C ATOM 0 H ILE A 40 21.529 -5.192 20.233 1.00 0.00 H new ATOM 0 HA ILE A 40 18.719 -5.160 21.137 1.00 0.00 H new ATOM 0 HB ILE A 40 19.944 -6.087 18.503 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.184 -3.691 19.143 1.00 0.00 H new ATOM 0 HG13 ILE A 40 19.907 -3.619 18.831 1.00 0.00 H new ATOM 0 HG21 ILE A 40 17.613 -6.358 17.752 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.993 -7.430 19.121 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.042 -5.949 19.387 1.00 0.00 H new ATOM 0 HD11 ILE A 40 18.629 -2.988 16.845 1.00 0.00 H new ATOM 0 HD12 ILE A 40 19.543 -4.486 16.549 1.00 0.00 H new ATOM 0 HD13 ILE A 40 17.793 -4.559 16.867 1.00 0.00 H new ATOM 650 N GLY A 41 20.809 -7.684 20.747 1.00 0.00 N ATOM 651 CA GLY A 41 21.019 -9.085 21.055 1.00 0.00 C ATOM 652 C GLY A 41 21.289 -9.892 19.804 1.00 0.00 C ATOM 653 O GLY A 41 20.872 -11.047 19.690 1.00 0.00 O ATOM 0 H GLY A 41 21.606 -7.216 20.315 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.859 -9.186 21.743 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.141 -9.483 21.564 1.00 0.00 H new ATOM 657 N CYS A 42 21.984 -9.276 18.863 1.00 0.00 N ATOM 658 CA CYS A 42 22.297 -9.913 17.598 1.00 0.00 C ATOM 659 C CYS A 42 23.788 -9.780 17.320 1.00 0.00 C ATOM 660 O CYS A 42 24.501 -9.122 18.076 1.00 0.00 O ATOM 661 CB CYS A 42 21.484 -9.272 16.467 1.00 0.00 C ATOM 662 SG CYS A 42 19.691 -9.341 16.716 1.00 0.00 S ATOM 0 H CYS A 42 22.345 -8.326 18.954 1.00 0.00 H new ATOM 0 HA CYS A 42 22.036 -10.970 17.652 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.786 -8.230 16.362 1.00 0.00 H new ATOM 0 HB3 CYS A 42 21.730 -9.771 15.529 1.00 0.00 H new ATOM 0 HG CYS A 42 19.115 -8.441 15.976 1.00 0.00 H new ATOM 668 N THR A 43 24.257 -10.406 16.258 1.00 0.00 N ATOM 669 CA THR A 43 25.657 -10.310 15.886 1.00 0.00 C ATOM 670 C THR A 43 25.868 -9.157 14.910 1.00 0.00 C ATOM 671 O THR A 43 24.927 -8.732 14.233 1.00 0.00 O ATOM 672 CB THR A 43 26.151 -11.620 15.244 1.00 0.00 C ATOM 673 OG1 THR A 43 25.422 -11.883 14.041 1.00 0.00 O ATOM 674 CG2 THR A 43 25.984 -12.790 16.198 1.00 0.00 C ATOM 0 H THR A 43 23.691 -10.986 15.638 1.00 0.00 H new ATOM 0 HA THR A 43 26.231 -10.128 16.795 1.00 0.00 H new ATOM 0 HB THR A 43 27.210 -11.503 15.014 1.00 0.00 H new ATOM 0 HG1 THR A 43 24.623 -11.316 14.012 1.00 0.00 H new ATOM 0 HG21 THR A 43 26.340 -13.703 15.720 1.00 0.00 H new ATOM 0 HG22 THR A 43 26.561 -12.606 17.104 1.00 0.00 H new ATOM 0 HG23 THR A 43 24.931 -12.902 16.455 1.00 0.00 H new ATOM 682 N PRO A 44 27.102 -8.629 14.816 1.00 0.00 N ATOM 683 CA PRO A 44 27.429 -7.546 13.884 1.00 0.00 C ATOM 684 C PRO A 44 27.130 -7.929 12.436 1.00 0.00 C ATOM 685 O PRO A 44 26.896 -7.065 11.589 1.00 0.00 O ATOM 686 CB PRO A 44 28.933 -7.324 14.082 1.00 0.00 C ATOM 687 CG PRO A 44 29.424 -8.541 14.795 1.00 0.00 C ATOM 688 CD PRO A 44 28.271 -9.028 15.619 1.00 0.00 C ATOM 0 HA PRO A 44 26.835 -6.653 14.078 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.441 -7.198 13.126 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.124 -6.423 14.666 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.748 -9.304 14.087 1.00 0.00 H new ATOM 0 HG3 PRO A 44 30.282 -8.305 15.425 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.309 -10.107 15.769 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.258 -8.569 16.607 1.00 0.00 H new ATOM 696 N GLU A 45 27.129 -9.231 12.167 1.00 0.00 N ATOM 697 CA GLU A 45 26.806 -9.750 10.844 1.00 0.00 C ATOM 698 C GLU A 45 25.358 -9.430 10.490 1.00 0.00 C ATOM 699 O GLU A 45 25.060 -8.982 9.381 1.00 0.00 O ATOM 700 CB GLU A 45 27.012 -11.266 10.800 1.00 0.00 C ATOM 701 CG GLU A 45 28.412 -11.718 11.178 1.00 0.00 C ATOM 702 CD GLU A 45 28.564 -13.224 11.103 1.00 0.00 C ATOM 703 OE1 GLU A 45 28.283 -13.907 12.110 1.00 0.00 O ATOM 704 OE2 GLU A 45 28.951 -13.735 10.031 1.00 0.00 O ATOM 0 H GLU A 45 27.350 -9.951 12.855 1.00 0.00 H new ATOM 0 HA GLU A 45 27.469 -9.276 10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 45 26.296 -11.738 11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 45 26.787 -11.622 9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 45 29.136 -11.247 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 45 28.641 -11.381 12.189 1.00 0.00 H new ATOM 711 N THR A 46 24.470 -9.648 11.453 1.00 0.00 N ATOM 712 CA THR A 46 23.041 -9.463 11.246 1.00 0.00 C ATOM 713 C THR A 46 22.716 -8.010 10.890 1.00 0.00 C ATOM 714 O THR A 46 21.926 -7.744 9.980 1.00 0.00 O ATOM 715 CB THR A 46 22.248 -9.876 12.504 1.00 0.00 C ATOM 716 OG1 THR A 46 22.762 -11.109 13.033 1.00 0.00 O ATOM 717 CG2 THR A 46 20.774 -10.052 12.180 1.00 0.00 C ATOM 0 H THR A 46 24.719 -9.956 12.393 1.00 0.00 H new ATOM 0 HA THR A 46 22.747 -10.101 10.412 1.00 0.00 H new ATOM 0 HB THR A 46 22.359 -9.084 13.244 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.252 -11.360 13.832 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.235 -10.343 13.082 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.370 -9.113 11.803 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.658 -10.827 11.422 1.00 0.00 H new ATOM 725 N LEU A 47 23.348 -7.075 11.598 1.00 0.00 N ATOM 726 CA LEU A 47 23.118 -5.650 11.364 1.00 0.00 C ATOM 727 C LEU A 47 23.503 -5.256 9.944 1.00 0.00 C ATOM 728 O LEU A 47 22.784 -4.505 9.286 1.00 0.00 O ATOM 729 CB LEU A 47 23.900 -4.785 12.364 1.00 0.00 C ATOM 730 CG LEU A 47 23.299 -4.670 13.770 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.839 -4.250 13.696 1.00 0.00 C ATOM 732 CD2 LEU A 47 23.444 -5.973 14.537 1.00 0.00 C ATOM 0 H LEU A 47 24.022 -7.278 12.337 1.00 0.00 H new ATOM 0 HA LEU A 47 22.052 -5.473 11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.908 -5.190 12.454 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.996 -3.782 11.949 1.00 0.00 H new ATOM 0 HG LEU A 47 23.852 -3.901 14.309 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.431 -4.174 14.704 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.763 -3.282 13.200 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.275 -4.992 13.131 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.009 -5.861 15.530 1.00 0.00 H new ATOM 0 HD22 LEU A 47 22.927 -6.770 14.002 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.500 -6.225 14.630 1.00 0.00 H new ATOM 744 N ARG A 48 24.633 -5.776 9.476 1.00 0.00 N ATOM 745 CA ARG A 48 25.122 -5.473 8.134 1.00 0.00 C ATOM 746 C ARG A 48 24.084 -5.846 7.084 1.00 0.00 C ATOM 747 O ARG A 48 23.786 -5.062 6.180 1.00 0.00 O ATOM 748 CB ARG A 48 26.419 -6.231 7.852 1.00 0.00 C ATOM 749 CG ARG A 48 27.568 -5.871 8.778 1.00 0.00 C ATOM 750 CD ARG A 48 28.803 -6.694 8.455 1.00 0.00 C ATOM 751 NE ARG A 48 29.933 -6.365 9.321 1.00 0.00 N ATOM 752 CZ ARG A 48 31.182 -6.216 8.883 1.00 0.00 C ATOM 753 NH1 ARG A 48 31.456 -6.323 7.584 1.00 0.00 N ATOM 754 NH2 ARG A 48 32.158 -5.966 9.744 1.00 0.00 N ATOM 0 H ARG A 48 25.229 -6.411 10.007 1.00 0.00 H new ATOM 0 HA ARG A 48 25.312 -4.401 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.225 -7.301 7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.723 -6.038 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.798 -4.810 8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.273 -6.042 9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.567 -7.753 8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.085 -6.528 7.415 1.00 0.00 H new ATOM 0 HE ARG A 48 29.755 -6.242 10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 48 30.708 -6.520 6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 48 32.414 -6.208 7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 48 31.952 -5.888 10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 48 33.115 -5.852 9.411 1.00 0.00 H new ATOM 768 N VAL A 49 23.530 -7.041 7.219 1.00 0.00 N ATOM 769 CA VAL A 49 22.539 -7.533 6.275 1.00 0.00 C ATOM 770 C VAL A 49 21.267 -6.690 6.342 1.00 0.00 C ATOM 771 O VAL A 49 20.693 -6.336 5.312 1.00 0.00 O ATOM 772 CB VAL A 49 22.195 -9.015 6.541 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.274 -9.559 5.459 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.464 -9.853 6.633 1.00 0.00 C ATOM 0 H VAL A 49 23.751 -7.689 7.975 1.00 0.00 H new ATOM 0 HA VAL A 49 22.970 -7.453 5.277 1.00 0.00 H new ATOM 0 HB VAL A 49 21.673 -9.075 7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.045 -10.604 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.350 -8.981 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.766 -9.482 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.200 -10.894 6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.016 -9.782 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.086 -9.484 7.449 1.00 0.00 H new ATOM 784 N TRP A 50 20.848 -6.351 7.559 1.00 0.00 N ATOM 785 CA TRP A 50 19.649 -5.542 7.762 1.00 0.00 C ATOM 786 C TRP A 50 19.781 -4.166 7.116 1.00 0.00 C ATOM 787 O TRP A 50 18.836 -3.673 6.498 1.00 0.00 O ATOM 788 CB TRP A 50 19.342 -5.387 9.251 1.00 0.00 C ATOM 789 CG TRP A 50 18.748 -6.615 9.868 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.288 -7.723 9.214 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.527 -6.854 11.263 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.798 -8.633 10.117 1.00 0.00 N ATOM 793 CE2 TRP A 50 17.935 -8.125 11.381 1.00 0.00 C ATOM 794 CE3 TRP A 50 18.774 -6.116 12.425 1.00 0.00 C ATOM 795 CZ2 TRP A 50 17.588 -8.672 12.613 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.431 -6.660 13.647 1.00 0.00 C ATOM 797 CH2 TRP A 50 17.842 -7.929 13.733 1.00 0.00 C ATOM 0 H TRP A 50 21.322 -6.624 8.420 1.00 0.00 H new ATOM 0 HA TRP A 50 18.824 -6.067 7.281 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.261 -5.133 9.779 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.654 -4.552 9.387 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.307 -7.862 8.143 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.397 -9.541 9.884 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.226 -5.137 12.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.134 -9.649 12.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 18.619 -6.099 14.550 1.00 0.00 H new ATOM 0 HH2 TRP A 50 17.584 -8.328 14.703 1.00 0.00 H new ATOM 808 N VAL A 51 20.952 -3.551 7.256 1.00 0.00 N ATOM 809 CA VAL A 51 21.204 -2.249 6.647 1.00 0.00 C ATOM 810 C VAL A 51 21.116 -2.343 5.127 1.00 0.00 C ATOM 811 O VAL A 51 20.476 -1.511 4.480 1.00 0.00 O ATOM 812 CB VAL A 51 22.587 -1.683 7.050 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.870 -0.375 6.324 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.661 -1.472 8.555 1.00 0.00 C ATOM 0 H VAL A 51 21.738 -3.931 7.783 1.00 0.00 H new ATOM 0 HA VAL A 51 20.437 -1.568 7.016 1.00 0.00 H new ATOM 0 HB VAL A 51 23.345 -2.410 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.847 0.003 6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 51 22.862 -0.547 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.104 0.357 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.641 -1.074 8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.888 -0.767 8.862 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.507 -2.424 9.064 1.00 0.00 H new ATOM 824 N ARG A 52 21.734 -3.377 4.569 1.00 0.00 N ATOM 825 CA ARG A 52 21.743 -3.572 3.126 1.00 0.00 C ATOM 826 C ARG A 52 20.335 -3.866 2.609 1.00 0.00 C ATOM 827 O ARG A 52 19.983 -3.497 1.489 1.00 0.00 O ATOM 828 CB ARG A 52 22.692 -4.708 2.749 1.00 0.00 C ATOM 829 CG ARG A 52 22.997 -4.770 1.263 1.00 0.00 C ATOM 830 CD ARG A 52 23.878 -5.959 0.923 1.00 0.00 C ATOM 831 NE ARG A 52 24.296 -5.954 -0.478 1.00 0.00 N ATOM 832 CZ ARG A 52 24.019 -6.929 -1.344 1.00 0.00 C ATOM 833 NH1 ARG A 52 23.264 -7.955 -0.976 1.00 0.00 N ATOM 834 NH2 ARG A 52 24.485 -6.868 -2.585 1.00 0.00 N ATOM 0 H ARG A 52 22.235 -4.093 5.095 1.00 0.00 H new ATOM 0 HA ARG A 52 22.094 -2.651 2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.625 -4.590 3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.255 -5.656 3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.065 -4.835 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.492 -3.849 0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.760 -5.950 1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.338 -6.882 1.136 1.00 0.00 H new ATOM 0 HE ARG A 52 24.833 -5.155 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 52 22.893 -8.000 -0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 52 23.055 -8.699 -1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 52 25.056 -6.075 -2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 52 24.273 -7.614 -3.247 1.00 0.00 H new ATOM 848 N GLN A 53 19.527 -4.528 3.431 1.00 0.00 N ATOM 849 CA GLN A 53 18.140 -4.795 3.079 1.00 0.00 C ATOM 850 C GLN A 53 17.343 -3.495 3.011 1.00 0.00 C ATOM 851 O GLN A 53 16.451 -3.344 2.174 1.00 0.00 O ATOM 852 CB GLN A 53 17.499 -5.764 4.076 1.00 0.00 C ATOM 853 CG GLN A 53 17.985 -7.195 3.921 1.00 0.00 C ATOM 854 CD GLN A 53 17.346 -8.148 4.914 1.00 0.00 C ATOM 855 OE1 GLN A 53 16.219 -7.941 5.357 1.00 0.00 O ATOM 856 NE2 GLN A 53 18.055 -9.212 5.258 1.00 0.00 N ATOM 0 H GLN A 53 19.809 -4.888 4.343 1.00 0.00 H new ATOM 0 HA GLN A 53 18.126 -5.262 2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.710 -5.424 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.416 -5.740 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.772 -7.538 2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 53 19.068 -7.221 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 53 18.988 -9.351 4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.668 -9.893 5.911 1.00 0.00 H new ATOM 865 N HIS A 54 17.677 -2.548 3.884 1.00 0.00 N ATOM 866 CA HIS A 54 17.027 -1.242 3.863 1.00 0.00 C ATOM 867 C HIS A 54 17.523 -0.443 2.662 1.00 0.00 C ATOM 868 O HIS A 54 16.826 0.434 2.158 1.00 0.00 O ATOM 869 CB HIS A 54 17.296 -0.463 5.157 1.00 0.00 C ATOM 870 CG HIS A 54 16.361 0.696 5.358 1.00 0.00 C ATOM 871 ND1 HIS A 54 16.579 1.955 4.836 1.00 0.00 N ATOM 872 CD2 HIS A 54 15.190 0.773 6.036 1.00 0.00 C ATOM 873 CE1 HIS A 54 15.581 2.750 5.180 1.00 0.00 C ATOM 874 NE2 HIS A 54 14.727 2.057 5.908 1.00 0.00 N ATOM 0 H HIS A 54 18.387 -2.659 4.608 1.00 0.00 H new ATOM 0 HA HIS A 54 15.951 -1.397 3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.210 -1.141 6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.322 -0.095 5.145 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.710 -0.029 6.577 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.482 3.791 4.911 1.00 0.00 H new ATOM 0 HE2 HIS A 54 13.862 2.418 6.311 1.00 0.00 H new ATOM 883 N GLU A 55 18.735 -0.757 2.214 1.00 0.00 N ATOM 884 CA GLU A 55 19.296 -0.140 1.020 1.00 0.00 C ATOM 885 C GLU A 55 18.465 -0.526 -0.201 1.00 0.00 C ATOM 886 O GLU A 55 18.091 0.326 -1.010 1.00 0.00 O ATOM 887 CB GLU A 55 20.750 -0.579 0.829 1.00 0.00 C ATOM 888 CG GLU A 55 21.453 0.096 -0.335 1.00 0.00 C ATOM 889 CD GLU A 55 22.845 -0.451 -0.566 1.00 0.00 C ATOM 890 OE1 GLU A 55 23.777 -0.025 0.140 1.00 0.00 O ATOM 891 OE2 GLU A 55 23.016 -1.304 -1.463 1.00 0.00 O ATOM 0 H GLU A 55 19.348 -1.438 2.663 1.00 0.00 H new ATOM 0 HA GLU A 55 19.273 0.943 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.304 -0.371 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.776 -1.658 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.859 -0.036 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.514 1.168 -0.147 1.00 0.00 H new ATOM 898 N ARG A 56 18.159 -1.817 -0.316 1.00 0.00 N ATOM 899 CA ARG A 56 17.338 -2.315 -1.419 1.00 0.00 C ATOM 900 C ARG A 56 15.895 -1.841 -1.302 1.00 0.00 C ATOM 901 O ARG A 56 15.187 -1.765 -2.301 1.00 0.00 O ATOM 902 CB ARG A 56 17.369 -3.842 -1.500 1.00 0.00 C ATOM 903 CG ARG A 56 18.660 -4.407 -2.073 1.00 0.00 C ATOM 904 CD ARG A 56 18.430 -5.783 -2.678 1.00 0.00 C ATOM 905 NE ARG A 56 17.368 -5.744 -3.686 1.00 0.00 N ATOM 906 CZ ARG A 56 17.271 -6.579 -4.718 1.00 0.00 C ATOM 907 NH1 ARG A 56 18.141 -7.571 -4.871 1.00 0.00 N ATOM 908 NH2 ARG A 56 16.286 -6.429 -5.591 1.00 0.00 N ATOM 0 H ARG A 56 18.466 -2.536 0.339 1.00 0.00 H new ATOM 0 HA ARG A 56 17.768 -1.907 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 56 17.218 -4.251 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.533 -4.180 -2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 56 19.051 -3.732 -2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.413 -4.472 -1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.353 -6.143 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.164 -6.490 -1.892 1.00 0.00 H new ATOM 0 HE ARG A 56 16.651 -5.025 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 56 18.893 -7.699 -4.194 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.057 -8.205 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.608 -5.677 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.206 -7.065 -6.384 1.00 0.00 H new ATOM 922 N ASP A 57 15.471 -1.525 -0.084 1.00 0.00 N ATOM 923 CA ASP A 57 14.116 -1.033 0.163 1.00 0.00 C ATOM 924 C ASP A 57 13.774 0.137 -0.750 1.00 0.00 C ATOM 925 O ASP A 57 12.696 0.182 -1.345 1.00 0.00 O ATOM 926 CB ASP A 57 13.959 -0.609 1.625 1.00 0.00 C ATOM 927 CG ASP A 57 12.713 0.222 1.859 1.00 0.00 C ATOM 928 OD1 ASP A 57 11.606 -0.348 1.878 1.00 0.00 O ATOM 929 OD2 ASP A 57 12.835 1.454 2.023 1.00 0.00 O ATOM 0 H ASP A 57 16.048 -1.600 0.754 1.00 0.00 H new ATOM 0 HA ASP A 57 13.426 -1.849 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.923 -1.497 2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.835 -0.037 1.930 1.00 0.00 H new ATOM 934 N THR A 58 14.695 1.078 -0.862 1.00 0.00 N ATOM 935 CA THR A 58 14.489 2.240 -1.703 1.00 0.00 C ATOM 936 C THR A 58 15.214 2.087 -3.043 1.00 0.00 C ATOM 937 O THR A 58 14.720 2.535 -4.080 1.00 0.00 O ATOM 938 CB THR A 58 14.958 3.516 -0.978 1.00 0.00 C ATOM 939 OG1 THR A 58 14.336 3.582 0.314 1.00 0.00 O ATOM 940 CG2 THR A 58 14.603 4.761 -1.775 1.00 0.00 C ATOM 0 H THR A 58 15.594 1.058 -0.380 1.00 0.00 H new ATOM 0 HA THR A 58 13.422 2.325 -1.907 1.00 0.00 H new ATOM 0 HB THR A 58 16.042 3.475 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.633 4.392 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.946 5.646 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.086 4.718 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.522 4.813 -1.907 1.00 0.00 H new ATOM 948 N GLY A 59 16.370 1.430 -3.018 1.00 0.00 N ATOM 949 CA GLY A 59 17.145 1.252 -4.230 1.00 0.00 C ATOM 950 C GLY A 59 16.604 0.149 -5.121 1.00 0.00 C ATOM 951 O GLY A 59 15.804 0.406 -6.025 1.00 0.00 O ATOM 0 H GLY A 59 16.782 1.019 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.158 2.189 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.177 1.024 -3.965 1.00 0.00 H new ATOM 955 N GLY A 60 17.035 -1.082 -4.862 1.00 0.00 N ATOM 956 CA GLY A 60 16.632 -2.210 -5.686 1.00 0.00 C ATOM 957 C GLY A 60 15.281 -2.767 -5.291 1.00 0.00 C ATOM 958 O GLY A 60 15.192 -3.871 -4.743 1.00 0.00 O ATOM 0 H GLY A 60 17.660 -1.320 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.601 -1.900 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.382 -2.997 -5.609 1.00 0.00 H new ATOM 962 N ASP A 61 14.235 -1.996 -5.563 1.00 0.00 N ATOM 963 CA ASP A 61 12.866 -2.401 -5.259 1.00 0.00 C ATOM 964 C ASP A 61 12.445 -3.548 -6.170 1.00 0.00 C ATOM 965 O ASP A 61 11.733 -4.462 -5.748 1.00 0.00 O ATOM 966 CB ASP A 61 11.918 -1.208 -5.432 1.00 0.00 C ATOM 967 CG ASP A 61 10.511 -1.482 -4.935 1.00 0.00 C ATOM 968 OD1 ASP A 61 10.279 -1.392 -3.710 1.00 0.00 O ATOM 969 OD2 ASP A 61 9.617 -1.749 -5.768 1.00 0.00 O ATOM 0 H ASP A 61 14.310 -1.077 -5.998 1.00 0.00 H new ATOM 0 HA ASP A 61 12.817 -2.742 -4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.324 -0.350 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.877 -0.936 -6.487 1.00 0.00 H new ATOM 974 N ASP A 62 12.911 -3.484 -7.418 1.00 0.00 N ATOM 975 CA ASP A 62 12.658 -4.516 -8.426 1.00 0.00 C ATOM 976 C ASP A 62 11.181 -4.604 -8.786 1.00 0.00 C ATOM 977 O ASP A 62 10.502 -5.588 -8.474 1.00 0.00 O ATOM 978 CB ASP A 62 13.184 -5.887 -7.978 1.00 0.00 C ATOM 979 CG ASP A 62 14.668 -6.070 -8.238 1.00 0.00 C ATOM 980 OD1 ASP A 62 15.420 -5.072 -8.217 1.00 0.00 O ATOM 981 OD2 ASP A 62 15.098 -7.225 -8.448 1.00 0.00 O ATOM 0 H ASP A 62 13.479 -2.709 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 62 13.205 -4.220 -9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.990 -6.014 -6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.631 -6.669 -8.498 1.00 0.00 H new ATOM 986 N GLY A 63 10.686 -3.559 -9.432 1.00 0.00 N ATOM 987 CA GLY A 63 9.327 -3.568 -9.929 1.00 0.00 C ATOM 988 C GLY A 63 9.276 -3.912 -11.404 1.00 0.00 C ATOM 989 O GLY A 63 10.136 -3.483 -12.176 1.00 0.00 O ATOM 0 H GLY A 63 11.205 -2.701 -9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.737 -4.291 -9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.873 -2.591 -9.767 1.00 0.00 H new ATOM 993 N GLY A 64 8.274 -4.683 -11.801 1.00 0.00 N ATOM 994 CA GLY A 64 8.175 -5.116 -13.178 1.00 0.00 C ATOM 995 C GLY A 64 6.985 -4.516 -13.892 1.00 0.00 C ATOM 996 O GLY A 64 6.431 -5.129 -14.804 1.00 0.00 O ATOM 0 H GLY A 64 7.527 -5.017 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.088 -4.842 -13.708 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.102 -6.203 -13.209 1.00 0.00 H new ATOM 1000 N LEU A 65 6.585 -3.322 -13.478 1.00 0.00 N ATOM 1001 CA LEU A 65 5.478 -2.630 -14.123 1.00 0.00 C ATOM 1002 C LEU A 65 5.931 -2.077 -15.467 1.00 0.00 C ATOM 1003 O LEU A 65 5.303 -2.317 -16.500 1.00 0.00 O ATOM 1004 CB LEU A 65 4.930 -1.500 -13.235 1.00 0.00 C ATOM 1005 CG LEU A 65 4.151 -1.948 -11.992 1.00 0.00 C ATOM 1006 CD1 LEU A 65 3.117 -3.000 -12.362 1.00 0.00 C ATOM 1007 CD2 LEU A 65 5.086 -2.473 -10.915 1.00 0.00 C ATOM 0 H LEU A 65 7.008 -2.814 -12.702 1.00 0.00 H new ATOM 0 HA LEU A 65 4.671 -3.346 -14.281 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.766 -0.879 -12.913 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.279 -0.870 -13.841 1.00 0.00 H new ATOM 0 HG LEU A 65 3.633 -1.078 -11.589 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.574 -3.306 -11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.418 -2.584 -13.087 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.618 -3.865 -12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.504 -2.783 -10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.643 -3.326 -11.301 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.783 -1.687 -10.623 1.00 0.00 H new ATOM 1019 N THR A 66 7.031 -1.345 -15.445 1.00 0.00 N ATOM 1020 CA THR A 66 7.665 -0.895 -16.666 1.00 0.00 C ATOM 1021 C THR A 66 8.715 -1.914 -17.082 1.00 0.00 C ATOM 1022 O THR A 66 9.846 -1.897 -16.594 1.00 0.00 O ATOM 1023 CB THR A 66 8.320 0.492 -16.496 1.00 0.00 C ATOM 1024 OG1 THR A 66 7.364 1.423 -15.969 1.00 0.00 O ATOM 1025 CG2 THR A 66 8.852 1.012 -17.825 1.00 0.00 C ATOM 0 H THR A 66 7.503 -1.050 -14.590 1.00 0.00 H new ATOM 0 HA THR A 66 6.899 -0.802 -17.436 1.00 0.00 H new ATOM 0 HB THR A 66 9.155 0.389 -15.803 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.787 2.301 -15.862 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.308 1.991 -17.676 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.598 0.319 -18.214 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.031 1.099 -18.537 1.00 0.00 H new ATOM 1033 N THR A 67 8.319 -2.829 -17.950 1.00 0.00 N ATOM 1034 CA THR A 67 9.194 -3.908 -18.375 1.00 0.00 C ATOM 1035 C THR A 67 9.711 -3.630 -19.788 1.00 0.00 C ATOM 1036 O THR A 67 10.301 -4.492 -20.444 1.00 0.00 O ATOM 1037 CB THR A 67 8.445 -5.264 -18.307 1.00 0.00 C ATOM 1038 OG1 THR A 67 9.363 -6.358 -18.377 1.00 0.00 O ATOM 1039 CG2 THR A 67 7.413 -5.388 -19.420 1.00 0.00 C ATOM 0 H THR A 67 7.392 -2.846 -18.376 1.00 0.00 H new ATOM 0 HA THR A 67 10.050 -3.965 -17.703 1.00 0.00 H new ATOM 0 HB THR A 67 7.925 -5.296 -17.350 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.018 -6.191 -19.087 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.907 -6.350 -19.342 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.681 -4.585 -19.329 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.911 -5.317 -20.387 1.00 0.00 H new ATOM 1047 N ALA A 68 9.492 -2.397 -20.237 1.00 0.00 N ATOM 1048 CA ALA A 68 9.914 -1.965 -21.558 1.00 0.00 C ATOM 1049 C ALA A 68 11.430 -2.028 -21.708 1.00 0.00 C ATOM 1050 O ALA A 68 12.178 -1.522 -20.864 1.00 0.00 O ATOM 1051 CB ALA A 68 9.417 -0.556 -21.833 1.00 0.00 C ATOM 0 H ALA A 68 9.018 -1.675 -19.694 1.00 0.00 H new ATOM 0 HA ALA A 68 9.478 -2.647 -22.288 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.740 -0.244 -22.826 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.328 -0.538 -21.783 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.826 0.126 -21.087 1.00 0.00 H new ATOM 1057 N GLU A 69 11.870 -2.641 -22.793 1.00 0.00 N ATOM 1058 CA GLU A 69 13.287 -2.818 -23.061 1.00 0.00 C ATOM 1059 C GLU A 69 13.835 -1.634 -23.848 1.00 0.00 C ATOM 1060 O GLU A 69 13.323 -1.295 -24.918 1.00 0.00 O ATOM 1061 CB GLU A 69 13.507 -4.124 -23.830 1.00 0.00 C ATOM 1062 CG GLU A 69 14.953 -4.374 -24.222 1.00 0.00 C ATOM 1063 CD GLU A 69 15.892 -4.356 -23.034 1.00 0.00 C ATOM 1064 OE1 GLU A 69 15.930 -5.351 -22.279 1.00 0.00 O ATOM 1065 OE2 GLU A 69 16.615 -3.356 -22.864 1.00 0.00 O ATOM 0 H GLU A 69 11.258 -3.029 -23.511 1.00 0.00 H new ATOM 0 HA GLU A 69 13.823 -2.870 -22.113 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.158 -4.957 -23.219 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.894 -4.111 -24.731 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.027 -5.339 -24.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.267 -3.616 -24.940 1.00 0.00 H new ATOM 1072 N ARG A 70 14.853 -0.990 -23.304 1.00 0.00 N ATOM 1073 CA ARG A 70 15.500 0.122 -23.983 1.00 0.00 C ATOM 1074 C ARG A 70 16.963 0.225 -23.549 1.00 0.00 C ATOM 1075 O ARG A 70 17.665 1.178 -23.883 1.00 0.00 O ATOM 1076 CB ARG A 70 14.737 1.428 -23.703 1.00 0.00 C ATOM 1077 CG ARG A 70 15.255 2.625 -24.485 1.00 0.00 C ATOM 1078 CD ARG A 70 14.345 3.838 -24.358 1.00 0.00 C ATOM 1079 NE ARG A 70 14.048 4.187 -22.968 1.00 0.00 N ATOM 1080 CZ ARG A 70 14.850 4.911 -22.185 1.00 0.00 C ATOM 1081 NH1 ARG A 70 16.080 5.224 -22.582 1.00 0.00 N ATOM 1082 NH2 ARG A 70 14.427 5.299 -20.987 1.00 0.00 N ATOM 0 H ARG A 70 15.251 -1.218 -22.393 1.00 0.00 H new ATOM 0 HA ARG A 70 15.482 -0.053 -25.059 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.684 1.280 -23.941 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.795 1.650 -22.637 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.253 2.884 -24.130 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.351 2.355 -25.537 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.815 4.691 -24.848 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.411 3.642 -24.885 1.00 0.00 H new ATOM 0 HE ARG A 70 13.169 3.855 -22.571 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.418 4.910 -23.492 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.686 5.778 -21.977 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.492 5.043 -20.669 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.037 5.853 -20.385 1.00 0.00 H new ATOM 1096 N GLN A 71 17.436 -0.782 -22.827 1.00 0.00 N ATOM 1097 CA GLN A 71 18.813 -0.794 -22.362 1.00 0.00 C ATOM 1098 C GLN A 71 19.693 -1.411 -23.443 1.00 0.00 C ATOM 1099 O GLN A 71 20.700 -0.832 -23.853 1.00 0.00 O ATOM 1100 CB GLN A 71 18.921 -1.576 -21.044 1.00 0.00 C ATOM 1101 CG GLN A 71 20.227 -1.366 -20.289 1.00 0.00 C ATOM 1102 CD GLN A 71 21.395 -2.160 -20.854 1.00 0.00 C ATOM 1103 OE1 GLN A 71 21.120 -3.350 -21.369 1.00 0.00 O flip ATOM 1104 NE2 GLN A 71 22.540 -1.715 -20.805 1.00 0.00 N flip ATOM 0 H GLN A 71 16.888 -1.597 -22.552 1.00 0.00 H new ATOM 0 HA GLN A 71 19.150 0.224 -22.169 1.00 0.00 H new ATOM 0 HB2 GLN A 71 18.092 -1.289 -20.397 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.806 -2.639 -21.257 1.00 0.00 H new ATOM 0 HG2 GLN A 71 20.479 -0.306 -20.305 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.082 -1.644 -19.245 1.00 0.00 H new ATOM 0 HE21 GLN A 71 22.713 -0.794 -20.401 1.00 0.00 H new ATOM 0 HE22 GLN A 71 23.317 -2.266 -21.168 1.00 0.00 H new ATOM 1113 N ARG A 72 19.296 -2.590 -23.907 1.00 0.00 N ATOM 1114 CA ARG A 72 19.972 -3.242 -25.017 1.00 0.00 C ATOM 1115 C ARG A 72 19.335 -2.812 -26.329 1.00 0.00 C ATOM 1116 O ARG A 72 19.989 -2.779 -27.370 1.00 0.00 O ATOM 1117 CB ARG A 72 19.903 -4.764 -24.872 1.00 0.00 C ATOM 1118 CG ARG A 72 18.483 -5.285 -24.771 1.00 0.00 C ATOM 1119 CD ARG A 72 18.429 -6.765 -24.438 1.00 0.00 C ATOM 1120 NE ARG A 72 17.110 -7.140 -23.935 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.437 -8.214 -24.324 1.00 0.00 C ATOM 1122 NH1 ARG A 72 16.912 -8.978 -25.297 1.00 0.00 N ATOM 1123 NH2 ARG A 72 15.267 -8.496 -23.769 1.00 0.00 N ATOM 0 H ARG A 72 18.507 -3.114 -23.529 1.00 0.00 H new ATOM 0 HA ARG A 72 21.021 -2.945 -25.012 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.394 -5.228 -25.727 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.459 -5.065 -23.984 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.947 -4.724 -24.005 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.967 -5.109 -25.715 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.663 -7.350 -25.327 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.188 -7.002 -23.692 1.00 0.00 H new ATOM 0 HE ARG A 72 16.677 -6.535 -23.237 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.796 -8.740 -25.747 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.394 -9.804 -25.596 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.886 -7.887 -23.044 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.747 -9.322 -24.066 1.00 0.00 H new ATOM 1137 N LEU A 73 18.052 -2.474 -26.265 1.00 0.00 N ATOM 1138 CA LEU A 73 17.321 -2.030 -27.439 1.00 0.00 C ATOM 1139 C LEU A 73 17.426 -0.517 -27.555 1.00 0.00 C ATOM 1140 O LEU A 73 16.565 0.221 -27.072 1.00 0.00 O ATOM 1141 CB LEU A 73 15.851 -2.466 -27.353 1.00 0.00 C ATOM 1142 CG LEU A 73 15.128 -2.684 -28.694 1.00 0.00 C ATOM 1143 CD1 LEU A 73 13.716 -3.188 -28.452 1.00 0.00 C ATOM 1144 CD2 LEU A 73 15.092 -1.411 -29.527 1.00 0.00 C ATOM 0 H LEU A 73 17.498 -2.500 -25.409 1.00 0.00 H new ATOM 0 HA LEU A 73 17.755 -2.487 -28.328 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.801 -3.393 -26.782 1.00 0.00 H new ATOM 0 HB3 LEU A 73 15.303 -1.713 -26.786 1.00 0.00 H new ATOM 0 HG LEU A 73 15.688 -3.433 -29.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.215 -3.338 -29.408 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.755 -4.133 -27.910 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.164 -2.455 -27.864 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.574 -1.605 -30.466 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.566 -0.631 -28.977 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.111 -1.084 -29.736 1.00 0.00 H new ATOM 1156 N LYS A 74 18.507 -0.065 -28.160 1.00 0.00 N ATOM 1157 CA LYS A 74 18.731 1.352 -28.377 1.00 0.00 C ATOM 1158 C LYS A 74 19.354 1.569 -29.748 1.00 0.00 C ATOM 1159 O LYS A 74 20.047 0.691 -30.264 1.00 0.00 O ATOM 1160 CB LYS A 74 19.624 1.934 -27.273 1.00 0.00 C ATOM 1161 CG LYS A 74 20.968 1.232 -27.125 1.00 0.00 C ATOM 1162 CD LYS A 74 21.769 1.802 -25.961 1.00 0.00 C ATOM 1163 CE LYS A 74 23.097 1.079 -25.781 1.00 0.00 C ATOM 1164 NZ LYS A 74 22.908 -0.378 -25.555 1.00 0.00 N ATOM 0 H LYS A 74 19.252 -0.666 -28.514 1.00 0.00 H new ATOM 0 HA LYS A 74 17.774 1.872 -28.340 1.00 0.00 H new ATOM 0 HB2 LYS A 74 19.799 2.990 -27.481 1.00 0.00 H new ATOM 0 HB3 LYS A 74 19.091 1.880 -26.324 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.808 0.165 -26.970 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.539 1.338 -28.048 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.953 2.863 -26.131 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.185 1.723 -25.044 1.00 0.00 H new ATOM 0 HE2 LYS A 74 23.717 1.232 -26.665 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.634 1.511 -24.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 23.761 -0.774 -25.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.090 -0.529 -24.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.741 -0.852 -26.466 1.00 0.00 H new ATOM 1178 N GLU A 75 19.098 2.722 -30.341 1.00 0.00 N ATOM 1179 CA GLU A 75 19.582 2.998 -31.684 1.00 0.00 C ATOM 1180 C GLU A 75 20.293 4.347 -31.760 1.00 0.00 C ATOM 1181 O GLU A 75 19.674 5.403 -31.618 1.00 0.00 O ATOM 1182 CB GLU A 75 18.421 2.934 -32.686 1.00 0.00 C ATOM 1183 CG GLU A 75 17.217 3.783 -32.300 1.00 0.00 C ATOM 1184 CD GLU A 75 16.059 3.622 -33.264 1.00 0.00 C ATOM 1185 OE1 GLU A 75 16.060 4.283 -34.322 1.00 0.00 O ATOM 1186 OE2 GLU A 75 15.131 2.841 -32.966 1.00 0.00 O ATOM 0 H GLU A 75 18.561 3.479 -29.918 1.00 0.00 H new ATOM 0 HA GLU A 75 20.314 2.233 -31.943 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.781 3.256 -33.663 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.102 1.897 -32.790 1.00 0.00 H new ATOM 0 HG2 GLU A 75 16.891 3.510 -31.297 1.00 0.00 H new ATOM 0 HG3 GLU A 75 17.513 4.832 -32.264 1.00 0.00 H new ATOM 1193 N PRO A 76 21.625 4.321 -31.937 1.00 0.00 N ATOM 1194 CA PRO A 76 22.406 5.529 -32.214 1.00 0.00 C ATOM 1195 C PRO A 76 22.060 6.088 -33.591 1.00 0.00 C ATOM 1196 O PRO A 76 21.890 7.293 -33.768 1.00 0.00 O ATOM 1197 CB PRO A 76 23.859 5.039 -32.174 1.00 0.00 C ATOM 1198 CG PRO A 76 23.783 3.571 -32.425 1.00 0.00 C ATOM 1199 CD PRO A 76 22.472 3.116 -31.851 1.00 0.00 C ATOM 0 HA PRO A 76 22.212 6.333 -31.504 1.00 0.00 H new ATOM 0 HB2 PRO A 76 24.464 5.537 -32.932 1.00 0.00 H new ATOM 0 HB3 PRO A 76 24.320 5.250 -31.209 1.00 0.00 H new ATOM 0 HG2 PRO A 76 23.837 3.355 -33.492 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.616 3.051 -31.952 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.050 2.287 -32.420 1.00 0.00 H new ATOM 0 HD3 PRO A 76 22.581 2.774 -30.822 1.00 0.00 H new ATOM 1207 N GLU A 77 21.969 5.185 -34.555 1.00 0.00 N ATOM 1208 CA GLU A 77 21.491 5.504 -35.888 1.00 0.00 C ATOM 1209 C GLU A 77 19.967 5.446 -35.887 1.00 0.00 C ATOM 1210 O GLU A 77 19.372 4.365 -35.864 1.00 0.00 O ATOM 1211 CB GLU A 77 22.099 4.523 -36.895 1.00 0.00 C ATOM 1212 CG GLU A 77 22.060 3.076 -36.423 1.00 0.00 C ATOM 1213 CD GLU A 77 22.942 2.161 -37.240 1.00 0.00 C ATOM 1214 OE1 GLU A 77 24.156 2.098 -36.959 1.00 0.00 O ATOM 1215 OE2 GLU A 77 22.423 1.490 -38.153 1.00 0.00 O ATOM 0 H GLU A 77 22.226 4.206 -34.432 1.00 0.00 H new ATOM 0 HA GLU A 77 21.796 6.509 -36.180 1.00 0.00 H new ATOM 0 HB2 GLU A 77 21.563 4.604 -37.840 1.00 0.00 H new ATOM 0 HB3 GLU A 77 23.133 4.807 -37.090 1.00 0.00 H new ATOM 0 HG2 GLU A 77 22.370 3.032 -35.379 1.00 0.00 H new ATOM 0 HG3 GLU A 77 21.033 2.714 -36.466 1.00 0.00 H new ATOM 1222 N ARG A 78 19.342 6.608 -35.886 1.00 0.00 N ATOM 1223 CA ARG A 78 17.921 6.701 -35.598 1.00 0.00 C ATOM 1224 C ARG A 78 17.225 7.708 -36.499 1.00 0.00 C ATOM 1225 O ARG A 78 17.872 8.498 -37.186 1.00 0.00 O ATOM 1226 CB ARG A 78 17.743 7.102 -34.136 1.00 0.00 C ATOM 1227 CG ARG A 78 18.556 8.330 -33.766 1.00 0.00 C ATOM 1228 CD ARG A 78 18.660 8.514 -32.267 1.00 0.00 C ATOM 1229 NE ARG A 78 19.642 9.542 -31.926 1.00 0.00 N ATOM 1230 CZ ARG A 78 20.489 9.452 -30.901 1.00 0.00 C ATOM 1231 NH1 ARG A 78 20.471 8.385 -30.111 1.00 0.00 N ATOM 1232 NH2 ARG A 78 21.371 10.417 -30.679 1.00 0.00 N ATOM 0 H ARG A 78 19.794 7.501 -36.081 1.00 0.00 H new ATOM 0 HA ARG A 78 17.465 5.729 -35.786 1.00 0.00 H new ATOM 0 HB2 ARG A 78 16.688 7.297 -33.942 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.036 6.270 -33.496 1.00 0.00 H new ATOM 0 HG2 ARG A 78 19.556 8.243 -34.190 1.00 0.00 H new ATOM 0 HG3 ARG A 78 18.098 9.214 -34.208 1.00 0.00 H new ATOM 0 HD2 ARG A 78 17.686 8.790 -31.864 1.00 0.00 H new ATOM 0 HD3 ARG A 78 18.942 7.570 -31.801 1.00 0.00 H new ATOM 0 HE ARG A 78 19.681 10.379 -32.508 1.00 0.00 H new ATOM 0 HH11 ARG A 78 19.807 7.631 -30.288 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.121 8.320 -29.327 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.402 11.231 -31.293 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.018 10.346 -29.894 1.00 0.00 H new ATOM 1246 N GLU A 79 15.900 7.667 -36.483 1.00 0.00 N ATOM 1247 CA GLU A 79 15.088 8.613 -37.232 1.00 0.00 C ATOM 1248 C GLU A 79 14.486 9.638 -36.276 1.00 0.00 C ATOM 1249 O GLU A 79 13.850 10.607 -36.700 1.00 0.00 O ATOM 1250 CB GLU A 79 13.979 7.876 -37.991 1.00 0.00 C ATOM 1251 CG GLU A 79 14.497 6.760 -38.888 1.00 0.00 C ATOM 1252 CD GLU A 79 13.390 6.036 -39.624 1.00 0.00 C ATOM 1253 OE1 GLU A 79 12.377 5.686 -38.983 1.00 0.00 O ATOM 1254 OE2 GLU A 79 13.539 5.789 -40.840 1.00 0.00 O ATOM 0 H GLU A 79 15.361 6.981 -35.954 1.00 0.00 H new ATOM 0 HA GLU A 79 15.717 9.129 -37.958 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.274 7.457 -37.273 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.427 8.593 -38.598 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.196 7.178 -39.613 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.054 6.044 -38.284 1.00 0.00 H new ATOM 1261 N ASN A 80 14.693 9.392 -34.980 1.00 0.00 N ATOM 1262 CA ASN A 80 14.263 10.294 -33.910 1.00 0.00 C ATOM 1263 C ASN A 80 12.747 10.295 -33.768 1.00 0.00 C ATOM 1264 O ASN A 80 12.065 9.387 -34.244 1.00 0.00 O ATOM 1265 CB ASN A 80 14.771 11.724 -34.145 1.00 0.00 C ATOM 1266 CG ASN A 80 16.283 11.828 -34.136 1.00 0.00 C ATOM 1267 OD1 ASN A 80 16.928 11.731 -35.180 1.00 0.00 O ATOM 1268 ND2 ASN A 80 16.864 12.022 -32.961 1.00 0.00 N ATOM 0 H ASN A 80 15.167 8.555 -34.642 1.00 0.00 H new ATOM 0 HA ASN A 80 14.699 9.923 -32.982 1.00 0.00 H new ATOM 0 HB2 ASN A 80 14.394 12.084 -35.102 1.00 0.00 H new ATOM 0 HB3 ASN A 80 14.363 12.379 -33.375 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.879 12.096 -32.900 1.00 0.00 H new ATOM 0 HD22 ASN A 80 16.296 12.097 -32.117 1.00 0.00 H new ATOM 1275 N ARG A 81 12.230 11.303 -33.082 1.00 0.00 N ATOM 1276 CA ARG A 81 10.797 11.427 -32.868 1.00 0.00 C ATOM 1277 C ARG A 81 10.184 12.333 -33.923 1.00 0.00 C ATOM 1278 O ARG A 81 10.474 13.530 -33.963 1.00 0.00 O ATOM 1279 CB ARG A 81 10.508 12.013 -31.485 1.00 0.00 C ATOM 1280 CG ARG A 81 11.135 11.246 -30.335 1.00 0.00 C ATOM 1281 CD ARG A 81 10.914 11.974 -29.021 1.00 0.00 C ATOM 1282 NE ARG A 81 11.559 11.302 -27.897 1.00 0.00 N ATOM 1283 CZ ARG A 81 12.373 11.910 -27.035 1.00 0.00 C ATOM 1284 NH1 ARG A 81 12.719 13.181 -27.219 1.00 0.00 N ATOM 1285 NH2 ARG A 81 12.861 11.233 -26.002 1.00 0.00 N ATOM 0 H ARG A 81 12.784 12.050 -32.663 1.00 0.00 H new ATOM 0 HA ARG A 81 10.359 10.431 -32.938 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.867 13.042 -31.458 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.429 12.048 -31.337 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.704 10.247 -30.280 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.203 11.123 -30.513 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.299 12.990 -29.103 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.844 12.053 -28.828 1.00 0.00 H new ATOM 0 HE ARG A 81 11.376 10.308 -27.764 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.361 13.696 -28.023 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.342 13.641 -26.556 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.612 10.252 -25.872 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.485 11.694 -25.339 1.00 0.00 H new ATOM 1299 N GLU A 82 9.352 11.776 -34.784 1.00 0.00 N ATOM 1300 CA GLU A 82 8.635 12.587 -35.747 1.00 0.00 C ATOM 1301 C GLU A 82 7.285 12.992 -35.178 1.00 0.00 C ATOM 1302 O GLU A 82 6.320 12.226 -35.219 1.00 0.00 O ATOM 1303 CB GLU A 82 8.440 11.865 -37.082 1.00 0.00 C ATOM 1304 CG GLU A 82 7.842 12.771 -38.147 1.00 0.00 C ATOM 1305 CD GLU A 82 7.470 12.044 -39.419 1.00 0.00 C ATOM 1306 OE1 GLU A 82 8.325 11.942 -40.319 1.00 0.00 O ATOM 1307 OE2 GLU A 82 6.308 11.600 -39.535 1.00 0.00 O ATOM 0 H GLU A 82 9.158 10.776 -34.836 1.00 0.00 H new ATOM 0 HA GLU A 82 9.239 13.474 -35.940 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.400 11.484 -37.430 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.789 11.003 -36.935 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.954 13.256 -37.743 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.556 13.560 -38.384 1.00 0.00 H new ATOM 1314 N LEU A 83 7.238 14.183 -34.613 1.00 0.00 N ATOM 1315 CA LEU A 83 6.002 14.747 -34.110 1.00 0.00 C ATOM 1316 C LEU A 83 5.406 15.625 -35.207 1.00 0.00 C ATOM 1317 O LEU A 83 5.652 15.382 -36.390 1.00 0.00 O ATOM 1318 CB LEU A 83 6.291 15.555 -32.837 1.00 0.00 C ATOM 1319 CG LEU A 83 5.108 15.744 -31.886 1.00 0.00 C ATOM 1320 CD1 LEU A 83 4.615 14.396 -31.380 1.00 0.00 C ATOM 1321 CD2 LEU A 83 5.509 16.632 -30.719 1.00 0.00 C ATOM 0 H LEU A 83 8.053 14.784 -34.490 1.00 0.00 H new ATOM 0 HA LEU A 83 5.288 13.966 -33.850 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.096 15.063 -32.292 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.659 16.539 -33.129 1.00 0.00 H new ATOM 0 HG LEU A 83 4.297 16.228 -32.430 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.773 14.547 -30.704 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.298 13.784 -32.224 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.421 13.890 -30.848 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.658 16.759 -30.049 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.333 16.169 -30.176 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.824 17.606 -31.094 1.00 0.00 H new ATOM 1333 N ARG A 84 4.648 16.646 -34.840 1.00 0.00 N ATOM 1334 CA ARG A 84 4.134 17.583 -35.832 1.00 0.00 C ATOM 1335 C ARG A 84 5.214 18.588 -36.211 1.00 0.00 C ATOM 1336 O ARG A 84 4.971 19.527 -36.971 1.00 0.00 O ATOM 1337 CB ARG A 84 2.892 18.310 -35.319 1.00 0.00 C ATOM 1338 CG ARG A 84 1.758 17.378 -34.931 1.00 0.00 C ATOM 1339 CD ARG A 84 0.408 18.076 -35.003 1.00 0.00 C ATOM 1340 NE ARG A 84 0.362 19.306 -34.208 1.00 0.00 N ATOM 1341 CZ ARG A 84 -0.771 19.912 -33.845 1.00 0.00 C ATOM 1342 NH1 ARG A 84 -1.942 19.371 -34.159 1.00 0.00 N ATOM 1343 NH2 ARG A 84 -0.725 21.050 -33.161 1.00 0.00 N ATOM 0 H ARG A 84 4.377 16.847 -33.878 1.00 0.00 H new ATOM 0 HA ARG A 84 3.847 17.014 -36.717 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.166 18.914 -34.454 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.539 18.997 -36.089 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.756 16.512 -35.593 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.922 17.006 -33.920 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.181 18.312 -36.043 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.368 17.394 -34.654 1.00 0.00 H new ATOM 0 HE ARG A 84 1.246 19.723 -33.915 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.976 18.493 -34.677 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.808 19.833 -33.882 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.175 21.460 -32.914 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.590 21.513 -32.883 1.00 0.00 H new ATOM 1357 N ARG A 85 6.408 18.388 -35.667 1.00 0.00 N ATOM 1358 CA ARG A 85 7.551 19.222 -35.993 1.00 0.00 C ATOM 1359 C ARG A 85 8.224 18.689 -37.254 1.00 0.00 C ATOM 1360 O ARG A 85 7.886 19.098 -38.368 1.00 0.00 O ATOM 1361 CB ARG A 85 8.556 19.237 -34.835 1.00 0.00 C ATOM 1362 CG ARG A 85 7.939 19.531 -33.480 1.00 0.00 C ATOM 1363 CD ARG A 85 8.973 19.424 -32.374 1.00 0.00 C ATOM 1364 NE ARG A 85 8.375 19.555 -31.047 1.00 0.00 N ATOM 1365 CZ ARG A 85 9.074 19.556 -29.914 1.00 0.00 C ATOM 1366 NH1 ARG A 85 10.398 19.466 -29.945 1.00 0.00 N ATOM 1367 NH2 ARG A 85 8.447 19.658 -28.748 1.00 0.00 N ATOM 0 H ARG A 85 6.607 17.649 -34.993 1.00 0.00 H new ATOM 0 HA ARG A 85 7.206 20.242 -36.164 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.058 18.270 -34.791 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.322 19.984 -35.043 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.507 20.532 -33.483 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.124 18.833 -33.289 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.484 18.464 -32.448 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.728 20.198 -32.509 1.00 0.00 H new ATOM 0 HE ARG A 85 7.361 19.651 -30.985 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.884 19.396 -30.839 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.930 19.467 -29.075 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.430 19.736 -28.721 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.982 19.659 -27.880 1.00 0.00 H new ATOM 1381 N SER A 86 9.161 17.760 -37.058 1.00 0.00 N ATOM 1382 CA SER A 86 9.834 17.062 -38.150 1.00 0.00 C ATOM 1383 C SER A 86 10.585 18.028 -39.082 1.00 0.00 C ATOM 1384 O SER A 86 10.649 19.238 -38.846 1.00 0.00 O ATOM 1385 CB SER A 86 8.814 16.228 -38.944 1.00 0.00 C ATOM 1386 OG SER A 86 9.451 15.382 -39.895 1.00 0.00 O ATOM 0 H SER A 86 9.475 17.471 -36.132 1.00 0.00 H new ATOM 0 HA SER A 86 10.580 16.400 -37.711 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.225 15.622 -38.256 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.120 16.894 -39.457 1.00 0.00 H new ATOM 0 HG SER A 86 10.230 14.954 -39.482 1.00 0.00 H new ATOM 1392 N ASN A 87 11.182 17.455 -40.117 1.00 0.00 N ATOM 1393 CA ASN A 87 11.864 18.207 -41.164 1.00 0.00 C ATOM 1394 C ASN A 87 11.838 17.380 -42.441 1.00 0.00 C ATOM 1395 O ASN A 87 12.430 17.743 -43.461 1.00 0.00 O ATOM 1396 CB ASN A 87 13.317 18.503 -40.766 1.00 0.00 C ATOM 1397 CG ASN A 87 14.181 17.252 -40.741 1.00 0.00 C ATOM 1398 OD1 ASN A 87 14.776 16.873 -41.745 1.00 0.00 O ATOM 1399 ND2 ASN A 87 14.269 16.612 -39.587 1.00 0.00 N ATOM 0 H ASN A 87 11.208 16.445 -40.256 1.00 0.00 H new ATOM 0 HA ASN A 87 11.356 19.160 -41.316 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.743 19.221 -41.467 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.332 18.971 -39.782 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.846 15.774 -39.511 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.760 16.956 -38.773 1.00 0.00 H new ATOM 1406 N ASP A 88 11.115 16.271 -42.372 1.00 0.00 N ATOM 1407 CA ASP A 88 11.137 15.254 -43.416 1.00 0.00 C ATOM 1408 C ASP A 88 9.842 15.290 -44.230 1.00 0.00 C ATOM 1409 O ASP A 88 9.579 14.417 -45.055 1.00 0.00 O ATOM 1410 CB ASP A 88 11.327 13.885 -42.752 1.00 0.00 C ATOM 1411 CG ASP A 88 11.544 12.749 -43.732 1.00 0.00 C ATOM 1412 OD1 ASP A 88 12.654 12.646 -44.296 1.00 0.00 O ATOM 1413 OD2 ASP A 88 10.614 11.930 -43.912 1.00 0.00 O ATOM 0 H ASP A 88 10.497 16.050 -41.591 1.00 0.00 H new ATOM 0 HA ASP A 88 11.960 15.445 -44.105 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.180 13.936 -42.076 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.451 13.663 -42.143 1.00 0.00 H new ATOM 1418 N ILE A 89 9.046 16.324 -44.007 1.00 0.00 N ATOM 1419 CA ILE A 89 7.759 16.456 -44.675 1.00 0.00 C ATOM 1420 C ILE A 89 7.929 16.987 -46.099 1.00 0.00 C ATOM 1421 O ILE A 89 8.101 18.188 -46.316 1.00 0.00 O ATOM 1422 CB ILE A 89 6.802 17.377 -43.887 1.00 0.00 C ATOM 1423 CG1 ILE A 89 6.671 16.895 -42.438 1.00 0.00 C ATOM 1424 CG2 ILE A 89 5.435 17.424 -44.560 1.00 0.00 C ATOM 1425 CD1 ILE A 89 5.800 17.784 -41.579 1.00 0.00 C ATOM 0 H ILE A 89 9.269 17.086 -43.367 1.00 0.00 H new ATOM 0 HA ILE A 89 7.320 15.459 -44.719 1.00 0.00 H new ATOM 0 HB ILE A 89 7.217 18.385 -43.880 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.259 15.886 -42.436 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.664 16.835 -41.993 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.772 18.077 -43.992 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.542 17.808 -45.574 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.012 16.420 -44.595 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.754 17.380 -40.568 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.222 18.788 -41.550 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.795 17.825 -42.000 1.00 0.00 H new ATOM 1437 N LEU A 90 7.918 16.072 -47.058 1.00 0.00 N ATOM 1438 CA LEU A 90 7.966 16.431 -48.469 1.00 0.00 C ATOM 1439 C LEU A 90 6.637 16.083 -49.128 1.00 0.00 C ATOM 1440 O LEU A 90 5.690 15.678 -48.448 1.00 0.00 O ATOM 1441 CB LEU A 90 9.114 15.707 -49.194 1.00 0.00 C ATOM 1442 CG LEU A 90 10.530 16.254 -48.951 1.00 0.00 C ATOM 1443 CD1 LEU A 90 10.579 17.755 -49.193 1.00 0.00 C ATOM 1444 CD2 LEU A 90 11.019 15.920 -47.550 1.00 0.00 C ATOM 0 H LEU A 90 7.876 15.068 -46.883 1.00 0.00 H new ATOM 0 HA LEU A 90 8.146 17.503 -48.543 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.098 14.658 -48.897 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.915 15.738 -50.265 1.00 0.00 H new ATOM 0 HG LEU A 90 11.198 15.769 -49.663 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.591 18.119 -49.015 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.293 17.967 -50.223 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.888 18.256 -48.514 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.023 16.321 -47.410 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.346 16.362 -46.815 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.039 14.838 -47.420 1.00 0.00 H new ATOM 1456 N ARG A 91 6.561 16.238 -50.440 1.00 0.00 N ATOM 1457 CA ARG A 91 5.357 15.872 -51.172 1.00 0.00 C ATOM 1458 C ARG A 91 5.404 14.401 -51.552 1.00 0.00 C ATOM 1459 O ARG A 91 6.475 13.877 -51.872 1.00 0.00 O ATOM 1460 CB ARG A 91 5.190 16.719 -52.437 1.00 0.00 C ATOM 1461 CG ARG A 91 5.337 18.214 -52.208 1.00 0.00 C ATOM 1462 CD ARG A 91 4.848 19.012 -53.406 1.00 0.00 C ATOM 1463 NE ARG A 91 3.387 19.078 -53.456 1.00 0.00 N ATOM 1464 CZ ARG A 91 2.696 19.666 -54.435 1.00 0.00 C ATOM 1465 NH1 ARG A 91 3.316 20.142 -55.510 1.00 0.00 N ATOM 1466 NH2 ARG A 91 1.378 19.753 -54.350 1.00 0.00 N ATOM 0 H ARG A 91 7.313 16.612 -51.018 1.00 0.00 H new ATOM 0 HA ARG A 91 4.504 16.058 -50.519 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.928 16.401 -53.174 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.207 16.523 -52.865 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.773 18.504 -51.321 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.383 18.452 -52.013 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.256 20.022 -53.361 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.223 18.557 -54.323 1.00 0.00 H new ATOM 0 HE ARG A 91 2.863 18.647 -52.694 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.329 20.060 -55.593 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.778 20.590 -56.252 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.893 19.371 -53.538 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.847 20.202 -55.097 1.00 0.00 H new ATOM 1480 N LEU A 92 4.242 13.749 -51.508 1.00 0.00 N ATOM 1481 CA LEU A 92 4.101 12.341 -51.892 1.00 0.00 C ATOM 1482 C LEU A 92 4.767 11.409 -50.883 1.00 0.00 C ATOM 1483 O LEU A 92 5.580 11.832 -50.057 1.00 0.00 O ATOM 1484 CB LEU A 92 4.688 12.088 -53.287 1.00 0.00 C ATOM 1485 CG LEU A 92 4.088 12.928 -54.414 1.00 0.00 C ATOM 1486 CD1 LEU A 92 4.893 12.750 -55.693 1.00 0.00 C ATOM 1487 CD2 LEU A 92 2.632 12.552 -54.645 1.00 0.00 C ATOM 0 H LEU A 92 3.369 14.182 -51.205 1.00 0.00 H new ATOM 0 HA LEU A 92 3.033 12.125 -51.908 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.761 12.274 -53.250 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.556 11.034 -53.532 1.00 0.00 H new ATOM 0 HG LEU A 92 4.129 13.977 -54.121 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.454 13.354 -56.487 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.922 13.067 -55.523 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.881 11.701 -55.987 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.222 13.161 -55.451 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.567 11.498 -54.917 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.062 12.727 -53.733 1.00 0.00 H new ATOM 1499 N ALA A 93 4.397 10.139 -50.942 1.00 0.00 N ATOM 1500 CA ALA A 93 5.044 9.114 -50.139 1.00 0.00 C ATOM 1501 C ALA A 93 5.837 8.184 -51.045 1.00 0.00 C ATOM 1502 O ALA A 93 6.011 8.480 -52.230 1.00 0.00 O ATOM 1503 CB ALA A 93 4.020 8.331 -49.330 1.00 0.00 C ATOM 0 H ALA A 93 3.648 9.793 -51.541 1.00 0.00 H new ATOM 0 HA ALA A 93 5.725 9.594 -49.436 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.529 7.570 -48.738 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.485 9.010 -48.666 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.312 7.851 -50.006 1.00 0.00 H new ATOM 1509 N SER A 94 6.294 7.061 -50.490 1.00 0.00 N ATOM 1510 CA SER A 94 7.109 6.094 -51.221 1.00 0.00 C ATOM 1511 C SER A 94 8.467 6.695 -51.581 1.00 0.00 C ATOM 1512 O SER A 94 8.607 7.401 -52.582 1.00 0.00 O ATOM 1513 CB SER A 94 6.382 5.608 -52.480 1.00 0.00 C ATOM 1514 OG SER A 94 5.093 5.105 -52.163 1.00 0.00 O ATOM 0 H SER A 94 6.109 6.798 -49.522 1.00 0.00 H new ATOM 0 HA SER A 94 7.276 5.234 -50.573 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.291 6.429 -53.191 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.970 4.830 -52.966 1.00 0.00 H new ATOM 0 HG SER A 94 4.649 4.803 -52.983 1.00 0.00 H new ATOM 1520 N ALA A 95 9.461 6.419 -50.749 1.00 0.00 N ATOM 1521 CA ALA A 95 10.797 6.955 -50.953 1.00 0.00 C ATOM 1522 C ALA A 95 11.437 6.353 -52.196 1.00 0.00 C ATOM 1523 O ALA A 95 11.102 5.241 -52.602 1.00 0.00 O ATOM 1524 CB ALA A 95 11.661 6.696 -49.728 1.00 0.00 C ATOM 0 H ALA A 95 9.366 5.826 -49.925 1.00 0.00 H new ATOM 0 HA ALA A 95 10.717 8.032 -51.102 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.659 7.102 -49.894 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.213 7.177 -48.859 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.731 5.622 -49.553 1.00 0.00 H new ATOM 1530 N TYR A 96 12.363 7.091 -52.793 1.00 0.00 N ATOM 1531 CA TYR A 96 13.029 6.654 -54.019 1.00 0.00 C ATOM 1532 C TYR A 96 14.121 5.633 -53.727 1.00 0.00 C ATOM 1533 O TYR A 96 14.837 5.200 -54.628 1.00 0.00 O ATOM 1534 CB TYR A 96 13.619 7.856 -54.761 1.00 0.00 C ATOM 1535 CG TYR A 96 12.574 8.775 -55.342 1.00 0.00 C ATOM 1536 CD1 TYR A 96 12.022 9.804 -54.588 1.00 0.00 C ATOM 1537 CD2 TYR A 96 12.129 8.605 -56.645 1.00 0.00 C ATOM 1538 CE1 TYR A 96 11.059 10.638 -55.118 1.00 0.00 C ATOM 1539 CE2 TYR A 96 11.169 9.435 -57.183 1.00 0.00 C ATOM 1540 CZ TYR A 96 10.636 10.448 -56.416 1.00 0.00 C ATOM 1541 OH TYR A 96 9.669 11.271 -56.947 1.00 0.00 O ATOM 0 H TYR A 96 12.673 8.000 -52.449 1.00 0.00 H new ATOM 0 HA TYR A 96 12.281 6.175 -54.650 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.249 8.423 -54.076 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.263 7.497 -55.564 1.00 0.00 H new ATOM 0 HD1 TYR A 96 12.352 9.953 -53.571 1.00 0.00 H new ATOM 0 HD2 TYR A 96 12.542 7.809 -57.248 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.640 11.434 -54.520 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.836 9.292 -58.200 1.00 0.00 H new ATOM 0 HH TYR A 96 9.485 11.005 -57.872 1.00 0.00 H new ATOM 1551 N PHE A 97 14.242 5.247 -52.468 1.00 0.00 N ATOM 1552 CA PHE A 97 15.216 4.248 -52.080 1.00 0.00 C ATOM 1553 C PHE A 97 14.624 2.853 -52.224 1.00 0.00 C ATOM 1554 O PHE A 97 14.048 2.308 -51.280 1.00 0.00 O ATOM 1555 CB PHE A 97 15.690 4.479 -50.643 1.00 0.00 C ATOM 1556 CG PHE A 97 16.371 5.802 -50.439 1.00 0.00 C ATOM 1557 CD1 PHE A 97 17.709 5.963 -50.761 1.00 0.00 C ATOM 1558 CD2 PHE A 97 15.675 6.882 -49.920 1.00 0.00 C ATOM 1559 CE1 PHE A 97 18.338 7.179 -50.570 1.00 0.00 C ATOM 1560 CE2 PHE A 97 16.300 8.099 -49.727 1.00 0.00 C ATOM 1561 CZ PHE A 97 17.633 8.247 -50.053 1.00 0.00 C ATOM 0 H PHE A 97 13.678 5.611 -51.700 1.00 0.00 H new ATOM 0 HA PHE A 97 16.078 4.335 -52.741 1.00 0.00 H new ATOM 0 HB2 PHE A 97 14.834 4.414 -49.972 1.00 0.00 H new ATOM 0 HB3 PHE A 97 16.376 3.680 -50.363 1.00 0.00 H new ATOM 0 HD1 PHE A 97 18.266 5.130 -51.165 1.00 0.00 H new ATOM 0 HD2 PHE A 97 14.632 6.771 -49.663 1.00 0.00 H new ATOM 0 HE1 PHE A 97 19.381 7.293 -50.825 1.00 0.00 H new ATOM 0 HE2 PHE A 97 15.746 8.933 -49.322 1.00 0.00 H new ATOM 0 HZ PHE A 97 18.124 9.197 -49.904 1.00 0.00 H new ATOM 1571 N ALA A 98 14.759 2.283 -53.415 1.00 0.00 N ATOM 1572 CA ALA A 98 14.253 0.944 -53.695 1.00 0.00 C ATOM 1573 C ALA A 98 15.291 -0.104 -53.314 1.00 0.00 C ATOM 1574 O ALA A 98 15.280 -1.226 -53.824 1.00 0.00 O ATOM 1575 CB ALA A 98 13.882 0.819 -55.166 1.00 0.00 C ATOM 0 H ALA A 98 15.218 2.731 -54.208 1.00 0.00 H new ATOM 0 HA ALA A 98 13.358 0.775 -53.097 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.506 -0.185 -55.362 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.111 1.550 -55.410 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.763 1.003 -55.780 1.00 0.00 H new ATOM 1581 N LYS A 99 16.178 0.283 -52.401 1.00 0.00 N ATOM 1582 CA LYS A 99 17.248 -0.579 -51.913 1.00 0.00 C ATOM 1583 C LYS A 99 18.268 -0.876 -53.005 1.00 0.00 C ATOM 1584 O LYS A 99 18.431 -2.022 -53.430 1.00 0.00 O ATOM 1585 CB LYS A 99 16.701 -1.884 -51.320 1.00 0.00 C ATOM 1586 CG LYS A 99 15.933 -1.702 -50.024 1.00 0.00 C ATOM 1587 CD LYS A 99 15.424 -3.036 -49.499 1.00 0.00 C ATOM 1588 CE LYS A 99 14.747 -2.894 -48.145 1.00 0.00 C ATOM 1589 NZ LYS A 99 13.546 -2.018 -48.204 1.00 0.00 N ATOM 0 H LYS A 99 16.173 1.211 -51.977 1.00 0.00 H new ATOM 0 HA LYS A 99 17.753 -0.034 -51.115 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.048 -2.358 -52.053 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.532 -2.567 -51.144 1.00 0.00 H new ATOM 0 HG2 LYS A 99 16.577 -1.236 -49.278 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.093 -1.027 -50.187 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.720 -3.462 -50.214 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.257 -3.735 -49.417 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.458 -3.880 -47.781 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.458 -2.485 -47.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.061 -2.032 -47.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.837 -1.045 -48.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.900 -2.364 -48.942 1.00 0.00 H new ATOM 1603 N ALA A 100 18.926 0.168 -53.479 1.00 0.00 N ATOM 1604 CA ALA A 100 20.090 0.002 -54.331 1.00 0.00 C ATOM 1605 C ALA A 100 21.302 -0.224 -53.441 1.00 0.00 C ATOM 1606 O ALA A 100 21.389 0.357 -52.358 1.00 0.00 O ATOM 1607 CB ALA A 100 20.284 1.214 -55.232 1.00 0.00 C ATOM 0 H ALA A 100 18.674 1.138 -53.289 1.00 0.00 H new ATOM 0 HA ALA A 100 19.951 -0.858 -54.986 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.162 1.064 -55.860 1.00 0.00 H new ATOM 0 HB2 ALA A 100 19.405 1.343 -55.863 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.424 2.104 -54.619 1.00 0.00 H new ATOM 1613 N GLU A 101 22.219 -1.078 -53.871 1.00 0.00 N ATOM 1614 CA GLU A 101 23.338 -1.455 -53.021 1.00 0.00 C ATOM 1615 C GLU A 101 24.274 -0.274 -52.774 1.00 0.00 C ATOM 1616 O GLU A 101 24.533 0.076 -51.618 1.00 0.00 O ATOM 1617 CB GLU A 101 24.122 -2.642 -53.600 1.00 0.00 C ATOM 1618 CG GLU A 101 24.587 -2.461 -55.040 1.00 0.00 C ATOM 1619 CD GLU A 101 23.544 -2.876 -56.053 1.00 0.00 C ATOM 1620 OE1 GLU A 101 22.710 -2.033 -56.438 1.00 0.00 O ATOM 1621 OE2 GLU A 101 23.556 -4.054 -56.467 1.00 0.00 O ATOM 0 H GLU A 101 22.212 -1.518 -54.791 1.00 0.00 H new ATOM 0 HA GLU A 101 22.915 -1.765 -52.066 1.00 0.00 H new ATOM 0 HB2 GLU A 101 24.994 -2.824 -52.972 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.497 -3.533 -53.544 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.848 -1.415 -55.203 1.00 0.00 H new ATOM 0 HG3 GLU A 101 25.493 -3.045 -55.200 1.00 0.00 H new ATOM 1628 N PHE A 102 24.735 0.354 -53.861 1.00 0.00 N ATOM 1629 CA PHE A 102 25.757 1.407 -53.808 1.00 0.00 C ATOM 1630 C PHE A 102 27.076 0.862 -53.258 1.00 0.00 C ATOM 1631 O PHE A 102 28.058 0.737 -53.995 1.00 0.00 O ATOM 1632 CB PHE A 102 25.293 2.610 -52.974 1.00 0.00 C ATOM 1633 CG PHE A 102 24.164 3.385 -53.593 1.00 0.00 C ATOM 1634 CD1 PHE A 102 24.371 4.143 -54.734 1.00 0.00 C ATOM 1635 CD2 PHE A 102 22.895 3.358 -53.034 1.00 0.00 C ATOM 1636 CE1 PHE A 102 23.338 4.858 -55.307 1.00 0.00 C ATOM 1637 CE2 PHE A 102 21.858 4.073 -53.601 1.00 0.00 C ATOM 1638 CZ PHE A 102 22.080 4.822 -54.740 1.00 0.00 C ATOM 0 H PHE A 102 24.410 0.146 -54.805 1.00 0.00 H new ATOM 0 HA PHE A 102 25.917 1.749 -54.830 1.00 0.00 H new ATOM 0 HB2 PHE A 102 24.982 2.259 -51.990 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.139 3.280 -52.820 1.00 0.00 H new ATOM 0 HD1 PHE A 102 25.353 4.175 -55.181 1.00 0.00 H new ATOM 0 HD2 PHE A 102 22.716 2.771 -52.145 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.514 5.444 -56.197 1.00 0.00 H new ATOM 0 HE2 PHE A 102 20.875 4.046 -53.154 1.00 0.00 H new ATOM 0 HZ PHE A 102 21.270 5.379 -55.187 1.00 0.00 H new ATOM 1648 N ASP A 103 27.073 0.521 -51.967 1.00 0.00 N ATOM 1649 CA ASP A 103 28.251 0.017 -51.260 1.00 0.00 C ATOM 1650 C ASP A 103 29.308 1.099 -51.107 1.00 0.00 C ATOM 1651 O ASP A 103 29.500 1.641 -50.019 1.00 0.00 O ATOM 1652 CB ASP A 103 28.854 -1.214 -51.956 1.00 0.00 C ATOM 1653 CG ASP A 103 28.051 -2.478 -51.734 1.00 0.00 C ATOM 1654 OD1 ASP A 103 28.053 -2.994 -50.595 1.00 0.00 O ATOM 1655 OD2 ASP A 103 27.430 -2.975 -52.695 1.00 0.00 O ATOM 0 H ASP A 103 26.243 0.588 -51.378 1.00 0.00 H new ATOM 0 HA ASP A 103 27.916 -0.286 -50.268 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.925 -1.020 -53.026 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.870 -1.368 -51.592 1.00 0.00 H new ATOM 1660 N ARG A 104 29.975 1.415 -52.203 1.00 0.00 N ATOM 1661 CA ARG A 104 31.074 2.368 -52.202 1.00 0.00 C ATOM 1662 C ARG A 104 31.044 3.164 -53.500 1.00 0.00 C ATOM 1663 O ARG A 104 30.169 2.953 -54.342 1.00 0.00 O ATOM 1664 CB ARG A 104 32.417 1.634 -52.098 1.00 0.00 C ATOM 1665 CG ARG A 104 32.498 0.624 -50.963 1.00 0.00 C ATOM 1666 CD ARG A 104 33.760 -0.218 -51.057 1.00 0.00 C ATOM 1667 NE ARG A 104 34.966 0.557 -50.783 1.00 0.00 N ATOM 1668 CZ ARG A 104 35.803 1.004 -51.716 1.00 0.00 C ATOM 1669 NH1 ARG A 104 35.549 0.786 -53.002 1.00 0.00 N ATOM 1670 NH2 ARG A 104 36.896 1.664 -51.359 1.00 0.00 N ATOM 0 H ARG A 104 29.771 1.018 -53.120 1.00 0.00 H new ATOM 0 HA ARG A 104 30.965 3.034 -51.346 1.00 0.00 H new ATOM 0 HB2 ARG A 104 32.609 1.120 -53.040 1.00 0.00 H new ATOM 0 HB3 ARG A 104 33.210 2.371 -51.969 1.00 0.00 H new ATOM 0 HG2 ARG A 104 32.478 1.147 -50.007 1.00 0.00 H new ATOM 0 HG3 ARG A 104 31.623 -0.025 -50.989 1.00 0.00 H new ATOM 0 HD2 ARG A 104 33.695 -1.046 -50.351 1.00 0.00 H new ATOM 0 HD3 ARG A 104 33.830 -0.654 -52.054 1.00 0.00 H new ATOM 0 HE ARG A 104 35.182 0.771 -49.809 1.00 0.00 H new ATOM 0 HH11 ARG A 104 34.710 0.275 -53.277 1.00 0.00 H new ATOM 0 HH12 ARG A 104 36.193 1.130 -53.714 1.00 0.00 H new ATOM 0 HH21 ARG A 104 37.093 1.828 -50.372 1.00 0.00 H new ATOM 0 HH22 ARG A 104 37.540 2.008 -52.072 1.00 0.00 H new ATOM 1684 N LEU A 105 31.990 4.068 -53.669 1.00 0.00 N ATOM 1685 CA LEU A 105 32.177 4.726 -54.955 1.00 0.00 C ATOM 1686 C LEU A 105 33.083 3.866 -55.821 1.00 0.00 C ATOM 1687 O LEU A 105 34.284 4.121 -55.934 1.00 0.00 O ATOM 1688 CB LEU A 105 32.771 6.130 -54.797 1.00 0.00 C ATOM 1689 CG LEU A 105 31.786 7.230 -54.379 1.00 0.00 C ATOM 1690 CD1 LEU A 105 31.281 7.013 -52.961 1.00 0.00 C ATOM 1691 CD2 LEU A 105 32.434 8.602 -54.512 1.00 0.00 C ATOM 0 H LEU A 105 32.639 4.364 -52.940 1.00 0.00 H new ATOM 0 HA LEU A 105 31.202 4.842 -55.429 1.00 0.00 H new ATOM 0 HB2 LEU A 105 33.570 6.084 -54.057 1.00 0.00 H new ATOM 0 HB3 LEU A 105 33.228 6.419 -55.743 1.00 0.00 H new ATOM 0 HG LEU A 105 30.927 7.182 -55.048 1.00 0.00 H new ATOM 0 HD11 LEU A 105 30.586 7.810 -52.697 1.00 0.00 H new ATOM 0 HD12 LEU A 105 30.772 6.051 -52.899 1.00 0.00 H new ATOM 0 HD13 LEU A 105 32.123 7.022 -52.269 1.00 0.00 H new ATOM 0 HD21 LEU A 105 31.722 9.371 -54.212 1.00 0.00 H new ATOM 0 HD22 LEU A 105 33.314 8.652 -53.871 1.00 0.00 H new ATOM 0 HD23 LEU A 105 32.730 8.766 -55.548 1.00 0.00 H new ATOM 1703 N TRP A 106 32.512 2.819 -56.396 1.00 0.00 N ATOM 1704 CA TRP A 106 33.296 1.843 -57.130 1.00 0.00 C ATOM 1705 C TRP A 106 32.608 1.433 -58.425 1.00 0.00 C ATOM 1706 O TRP A 106 31.379 1.374 -58.502 1.00 0.00 O ATOM 1707 CB TRP A 106 33.545 0.602 -56.261 1.00 0.00 C ATOM 1708 CG TRP A 106 32.309 -0.218 -56.000 1.00 0.00 C ATOM 1709 CD1 TRP A 106 31.260 0.111 -55.191 1.00 0.00 C ATOM 1710 CD2 TRP A 106 31.999 -1.508 -56.549 1.00 0.00 C ATOM 1711 NE1 TRP A 106 30.314 -0.885 -55.212 1.00 0.00 N ATOM 1712 CE2 TRP A 106 30.747 -1.891 -56.035 1.00 0.00 C ATOM 1713 CE3 TRP A 106 32.659 -2.375 -57.429 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 30.140 -3.099 -56.372 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 32.056 -3.574 -57.760 1.00 0.00 C ATOM 1716 CH2 TRP A 106 30.810 -3.926 -57.233 1.00 0.00 C ATOM 0 H TRP A 106 31.511 2.625 -56.368 1.00 0.00 H new ATOM 0 HA TRP A 106 34.249 2.308 -57.384 1.00 0.00 H new ATOM 0 HB2 TRP A 106 34.290 -0.027 -56.748 1.00 0.00 H new ATOM 0 HB3 TRP A 106 33.968 0.917 -55.307 1.00 0.00 H new ATOM 0 HD1 TRP A 106 31.185 1.023 -54.617 1.00 0.00 H new ATOM 0 HE1 TRP A 106 29.433 -0.877 -54.698 1.00 0.00 H new ATOM 0 HE3 TRP A 106 33.622 -2.112 -57.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 29.176 -3.373 -55.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 32.556 -4.250 -58.437 1.00 0.00 H new ATOM 0 HH2 TRP A 106 30.366 -4.871 -57.511 1.00 0.00 H new ATOM 1727 N LYS A 107 33.420 1.162 -59.433 1.00 0.00 N ATOM 1728 CA LYS A 107 32.954 0.611 -60.694 1.00 0.00 C ATOM 1729 C LYS A 107 34.174 0.187 -61.500 1.00 0.00 C ATOM 1730 O LYS A 107 35.266 0.726 -61.299 1.00 0.00 O ATOM 1731 CB LYS A 107 32.091 1.628 -61.474 1.00 0.00 C ATOM 1732 CG LYS A 107 32.871 2.719 -62.201 1.00 0.00 C ATOM 1733 CD LYS A 107 33.238 2.286 -63.613 1.00 0.00 C ATOM 1734 CE LYS A 107 34.145 3.290 -64.297 1.00 0.00 C ATOM 1735 NZ LYS A 107 34.638 2.782 -65.604 1.00 0.00 N ATOM 0 H LYS A 107 34.427 1.319 -59.399 1.00 0.00 H new ATOM 0 HA LYS A 107 32.314 -0.251 -60.505 1.00 0.00 H new ATOM 0 HB2 LYS A 107 31.490 1.086 -62.204 1.00 0.00 H new ATOM 0 HB3 LYS A 107 31.398 2.101 -60.778 1.00 0.00 H new ATOM 0 HG2 LYS A 107 32.275 3.631 -62.241 1.00 0.00 H new ATOM 0 HG3 LYS A 107 33.777 2.955 -61.643 1.00 0.00 H new ATOM 0 HD2 LYS A 107 33.733 1.316 -63.578 1.00 0.00 H new ATOM 0 HD3 LYS A 107 32.329 2.159 -64.201 1.00 0.00 H new ATOM 0 HE2 LYS A 107 33.605 4.224 -64.450 1.00 0.00 H new ATOM 0 HE3 LYS A 107 34.993 3.515 -63.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 35.545 3.237 -65.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 34.771 1.752 -65.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 33.943 3.002 -66.346 1.00 0.00 H new ATOM 1749 N LYS A 108 34.010 -0.775 -62.387 1.00 0.00 N ATOM 1750 CA LYS A 108 35.128 -1.255 -63.184 1.00 0.00 C ATOM 1751 C LYS A 108 35.031 -0.735 -64.612 1.00 0.00 C ATOM 1752 O LYS A 108 34.361 -1.386 -65.435 1.00 0.00 O ATOM 1753 CB LYS A 108 35.175 -2.783 -63.159 1.00 0.00 C ATOM 1754 CG LYS A 108 35.315 -3.344 -61.755 1.00 0.00 C ATOM 1755 CD LYS A 108 35.377 -4.862 -61.754 1.00 0.00 C ATOM 1756 CE LYS A 108 35.546 -5.402 -60.345 1.00 0.00 C ATOM 1757 NZ LYS A 108 35.752 -6.872 -60.335 1.00 0.00 N ATOM 1758 OXT LYS A 108 35.616 0.334 -64.898 1.00 0.00 O ATOM 0 H LYS A 108 33.121 -1.239 -62.575 1.00 0.00 H new ATOM 0 HA LYS A 108 36.054 -0.876 -62.752 1.00 0.00 H new ATOM 0 HB2 LYS A 108 34.267 -3.177 -63.614 1.00 0.00 H new ATOM 0 HB3 LYS A 108 36.011 -3.126 -63.768 1.00 0.00 H new ATOM 0 HG2 LYS A 108 36.217 -2.944 -61.293 1.00 0.00 H new ATOM 0 HG3 LYS A 108 34.472 -3.015 -61.147 1.00 0.00 H new ATOM 0 HD2 LYS A 108 34.466 -5.266 -62.195 1.00 0.00 H new ATOM 0 HD3 LYS A 108 36.207 -5.195 -62.376 1.00 0.00 H new ATOM 0 HE2 LYS A 108 36.396 -4.913 -59.869 1.00 0.00 H new ATOM 0 HE3 LYS A 108 34.664 -5.155 -59.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 35.863 -7.200 -59.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 34.930 -7.341 -60.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 36.608 -7.106 -60.877 1.00 0.00 H new TER 1772 LYS A 108