USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 978 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 123 CYS SG : rot -160:sc= -2.42 USER MOD Set 1.2: A 128 CYS SG : rot 80:sc= -0.387 USER MOD Set 1.3: A 141 HIS : no HD1:sc= -3.14 K(o=-12,f=-14!) USER MOD Set 1.4: A 142 MET CE :methyl -143:sc= -0.84 (180deg=-0.194) USER MOD Set 1.5: A 145 HIS : no HE2:sc= -5.38! K(o=-12!,f=-15) USER MOD Set 2.1: A 93 CYS SG : rot 132:sc= -0.897 USER MOD Set 2.2: A 98 CYS SG : rot 170:sc= -0.866 USER MOD Set 2.3: A 111 HIS : no HE2:sc= -2.6 X(o=-4.4,f=-4.4) USER MOD Set 3.1: A 60 CYS SG : rot -49:sc= 0.9 USER MOD Set 3.2: A 65 CYS SG : rot 180:sc= -2.52 USER MOD Set 3.3: A 81 HIS : no HD1:sc= -0.6 K(o=-5.2,f=-8.9!) USER MOD Set 3.4: A 85 HIS : no HD1:sc= -3! K(o=-5.2!,f=-9.3) USER MOD Set 4.1: A 16 CYS SG : rot -42:sc= -0.86 USER MOD Set 4.2: A 31 CYS SG : rot 125:sc= -0.0955 USER MOD Set 4.3: A 44 HIS : no HD1:sc= -5.97! C(o=-18!,f=-24!) USER MOD Set 4.4: A 49 HIS : no HD1:sc= -11! C(o=-18!,f=-22!) USER MOD Set 5.1: A 38 MET CE :methyl -169:sc= -4.57! (180deg=-4.83!) USER MOD Set 5.2: A 86 THR OG1 : rot -61:sc= 1.18 USER MOD Single : A 12 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.2!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -0.11 (180deg=-0.566) USER MOD Single : A 23 GLN : amide:sc= -4.44! C(o=-4.4!,f=-11!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00195) USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= -0.792 (180deg=-1.11) USER MOD Single : A 30 SER OG : rot -90:sc= -1.35 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 39 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.0077) USER MOD Single : A 43 THR OG1 : rot 79:sc= 0.801 USER MOD Single : A 46 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 47 MET CE :methyl -156:sc= -0.0395 (180deg=-0.362) USER MOD Single : A 55 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.075) USER MOD Single : A 56 ASN : amide:sc= -0.0158 K(o=-0.016,f=-0.56) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 58 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.6) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0159 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= -0.818 (180deg=-1.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= -0.135 (180deg=-0.466) USER MOD Single : A 80 ASN : amide:sc= -5.21! C(o=-5.2!,f=-7.5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0603 K(o=-0.06,f=-0.92) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -143:sc= -0.0698 (180deg=-1.61!) USER MOD Single : A 122 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0123) USER MOD Single : A 134 ASN : amide:sc= -5.73! C(o=-5.7!,f=-3.6!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 153:sc= -0.183 (180deg=-0.902) USER MOD Single : A 143 HIS : no HD1:sc= -8.01! C(o=-8!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 138 N GLN A 12 -10.040 6.175 -33.490 1.00 0.00 N ATOM 139 CA GLN A 12 -9.345 6.039 -32.215 1.00 0.00 C ATOM 140 C GLN A 12 -9.830 7.085 -31.216 1.00 0.00 C ATOM 141 O GLN A 12 -9.922 8.268 -31.539 1.00 0.00 O ATOM 142 CB GLN A 12 -7.835 6.171 -32.417 1.00 0.00 C ATOM 143 CG GLN A 12 -7.014 5.460 -31.353 1.00 0.00 C ATOM 144 CD GLN A 12 -6.975 3.958 -31.553 1.00 0.00 C ATOM 145 OE1 GLN A 12 -7.988 3.274 -31.410 1.00 0.00 O ATOM 146 NE2 GLN A 12 -5.800 3.436 -31.888 1.00 0.00 N ATOM 0 HA GLN A 12 -9.566 5.050 -31.813 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.571 5.770 -33.396 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.569 7.228 -32.423 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.996 5.851 -31.363 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.430 5.681 -30.370 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.986 4.040 -31.996 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.712 2.431 -32.037 1.00 0.00 H new ATOM 155 N GLU A 13 -10.139 6.638 -30.003 1.00 0.00 N ATOM 156 CA GLU A 13 -10.616 7.537 -28.958 1.00 0.00 C ATOM 157 C GLU A 13 -9.457 8.041 -28.103 1.00 0.00 C ATOM 158 O GLU A 13 -8.640 7.257 -27.618 1.00 0.00 O ATOM 159 CB GLU A 13 -11.644 6.827 -28.074 1.00 0.00 C ATOM 160 CG GLU A 13 -11.027 6.075 -26.907 1.00 0.00 C ATOM 161 CD GLU A 13 -12.053 5.299 -26.104 1.00 0.00 C ATOM 162 OE1 GLU A 13 -12.834 5.936 -25.366 1.00 0.00 O ATOM 163 OE2 GLU A 13 -12.076 4.056 -26.215 1.00 0.00 O ATOM 0 H GLU A 13 -10.068 5.661 -29.720 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.089 8.393 -29.439 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.350 7.563 -27.689 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.215 6.128 -28.685 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.270 5.387 -27.283 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.518 6.782 -26.252 1.00 0.00 H new ATOM 170 N LEU A 14 -9.390 9.356 -27.924 1.00 0.00 N ATOM 171 CA LEU A 14 -8.331 9.967 -27.128 1.00 0.00 C ATOM 172 C LEU A 14 -8.808 10.242 -25.706 1.00 0.00 C ATOM 173 O LEU A 14 -10.002 10.171 -25.416 1.00 0.00 O ATOM 174 CB LEU A 14 -7.862 11.268 -27.782 1.00 0.00 C ATOM 175 CG LEU A 14 -7.740 11.248 -29.306 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.314 12.613 -29.825 1.00 0.00 C ATOM 177 CD2 LEU A 14 -6.755 10.176 -29.748 1.00 0.00 C ATOM 0 H LEU A 14 -10.056 10.019 -28.319 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.495 9.269 -27.082 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.555 12.062 -27.504 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.891 11.532 -27.363 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.717 11.011 -29.727 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.232 12.580 -30.911 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.056 13.359 -29.539 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.348 12.880 -29.396 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.681 10.176 -30.835 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.775 10.382 -29.317 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.102 9.200 -29.408 1.00 0.00 H new ATOM 189 N SER A 15 -7.866 10.558 -24.822 1.00 0.00 N ATOM 190 CA SER A 15 -8.190 10.842 -23.429 1.00 0.00 C ATOM 191 C SER A 15 -7.244 11.893 -22.855 1.00 0.00 C ATOM 192 O SER A 15 -6.025 11.784 -22.984 1.00 0.00 O ATOM 193 CB SER A 15 -8.115 9.562 -22.595 1.00 0.00 C ATOM 194 OG SER A 15 -8.923 8.541 -23.154 1.00 0.00 O ATOM 0 H SER A 15 -6.873 10.624 -25.046 1.00 0.00 H new ATOM 0 HA SER A 15 -9.207 11.233 -23.390 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.081 9.222 -22.538 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.439 9.769 -21.575 1.00 0.00 H new ATOM 0 HG SER A 15 -8.857 7.733 -22.603 1.00 0.00 H new ATOM 200 N CYS A 16 -7.816 12.911 -22.221 1.00 0.00 N ATOM 201 CA CYS A 16 -7.027 13.983 -21.627 1.00 0.00 C ATOM 202 C CYS A 16 -7.204 14.013 -20.112 1.00 0.00 C ATOM 203 O CYS A 16 -8.212 14.502 -19.602 1.00 0.00 O ATOM 204 CB CYS A 16 -7.429 15.333 -22.225 1.00 0.00 C ATOM 205 SG CYS A 16 -7.315 16.727 -21.058 1.00 0.00 S ATOM 0 H CYS A 16 -8.824 13.016 -22.105 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.977 13.793 -21.849 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.793 15.541 -23.086 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.452 15.265 -22.594 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.774 16.361 -19.898 1.00 0.00 H new ATOM 210 N LYS A 17 -6.215 13.487 -19.396 1.00 0.00 N ATOM 211 CA LYS A 17 -6.259 13.454 -17.939 1.00 0.00 C ATOM 212 C LYS A 17 -5.674 14.732 -17.348 1.00 0.00 C ATOM 213 O LYS A 17 -4.456 14.874 -17.234 1.00 0.00 O ATOM 214 CB LYS A 17 -5.491 12.239 -17.413 1.00 0.00 C ATOM 215 CG LYS A 17 -5.851 10.941 -18.116 1.00 0.00 C ATOM 216 CD LYS A 17 -7.356 10.755 -18.208 1.00 0.00 C ATOM 217 CE LYS A 17 -7.965 10.455 -16.848 1.00 0.00 C ATOM 218 NZ LYS A 17 -7.376 9.232 -16.234 1.00 0.00 N ATOM 0 H LYS A 17 -5.373 13.078 -19.802 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.303 13.378 -17.634 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.422 12.419 -17.525 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.686 12.131 -16.346 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.421 10.938 -19.118 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.412 10.101 -17.578 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.810 11.656 -18.620 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.581 9.940 -18.896 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.809 11.306 -16.185 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.042 10.326 -16.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.011 8.877 -15.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.254 8.501 -16.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.451 9.463 -15.818 1.00 0.00 H new ATOM 232 N TRP A 18 -6.548 15.659 -16.974 1.00 0.00 N ATOM 233 CA TRP A 18 -6.117 16.926 -16.393 1.00 0.00 C ATOM 234 C TRP A 18 -6.409 16.966 -14.897 1.00 0.00 C ATOM 235 O TRP A 18 -7.566 16.907 -14.479 1.00 0.00 O ATOM 236 CB TRP A 18 -6.813 18.094 -17.092 1.00 0.00 C ATOM 237 CG TRP A 18 -6.135 19.412 -16.866 1.00 0.00 C ATOM 238 CD1 TRP A 18 -6.229 20.202 -15.757 1.00 0.00 C ATOM 239 CD2 TRP A 18 -5.260 20.092 -17.773 1.00 0.00 C ATOM 240 NE1 TRP A 18 -5.465 21.333 -15.919 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.861 21.289 -17.147 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.775 19.806 -19.052 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -4.000 22.197 -17.758 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -3.921 20.708 -19.657 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.540 21.891 -19.010 1.00 0.00 C ATOM 0 H TRP A 18 -7.559 15.558 -17.062 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.040 17.015 -16.537 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.855 17.894 -18.163 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.842 18.158 -16.739 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.817 19.972 -14.881 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.364 22.083 -15.235 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.063 18.896 -19.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.706 23.110 -17.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.541 20.498 -20.646 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.870 22.575 -19.509 1.00 0.00 H new ATOM 256 N ILE A 19 -5.354 17.066 -14.095 1.00 0.00 N ATOM 257 CA ILE A 19 -5.499 17.116 -12.646 1.00 0.00 C ATOM 258 C ILE A 19 -4.934 18.414 -12.080 1.00 0.00 C ATOM 259 O ILE A 19 -3.722 18.556 -11.914 1.00 0.00 O ATOM 260 CB ILE A 19 -4.794 15.925 -11.969 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.223 14.611 -12.624 1.00 0.00 C ATOM 262 CG2 ILE A 19 -5.101 15.905 -10.479 1.00 0.00 C ATOM 263 CD1 ILE A 19 -5.016 13.400 -11.742 1.00 0.00 C ATOM 0 H ILE A 19 -4.390 17.114 -14.425 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.567 17.065 -12.434 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.718 16.039 -12.097 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.277 14.677 -12.895 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.663 14.476 -13.550 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.596 15.058 -10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.751 16.831 -10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.177 15.812 -10.330 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.342 12.505 -12.271 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.959 13.309 -11.491 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.598 13.513 -10.827 1.00 0.00 H new ATOM 275 N ASP A 20 -5.819 19.359 -11.786 1.00 0.00 N ATOM 276 CA ASP A 20 -5.410 20.647 -11.236 1.00 0.00 C ATOM 277 C ASP A 20 -4.936 20.496 -9.794 1.00 0.00 C ATOM 278 O ASP A 20 -5.566 19.805 -8.994 1.00 0.00 O ATOM 279 CB ASP A 20 -6.566 21.646 -11.305 1.00 0.00 C ATOM 280 CG ASP A 20 -6.377 22.815 -10.359 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.213 23.179 -10.090 1.00 0.00 O ATOM 282 OD2 ASP A 20 -7.393 23.368 -9.889 1.00 0.00 O ATOM 0 H ASP A 20 -6.825 19.258 -11.919 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.580 21.023 -11.835 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.660 22.019 -12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.499 21.135 -11.065 1.00 0.00 H new ATOM 287 N GLU A 21 -3.822 21.146 -9.471 1.00 0.00 N ATOM 288 CA GLU A 21 -3.264 21.081 -8.126 1.00 0.00 C ATOM 289 C GLU A 21 -4.048 21.974 -7.168 1.00 0.00 C ATOM 290 O GLU A 21 -4.316 21.595 -6.028 1.00 0.00 O ATOM 291 CB GLU A 21 -1.792 21.499 -8.140 1.00 0.00 C ATOM 292 CG GLU A 21 -1.497 22.656 -9.079 1.00 0.00 C ATOM 293 CD GLU A 21 -0.230 23.401 -8.707 1.00 0.00 C ATOM 294 OE1 GLU A 21 0.840 22.761 -8.648 1.00 0.00 O ATOM 295 OE2 GLU A 21 -0.310 24.626 -8.474 1.00 0.00 O ATOM 0 H GLU A 21 -3.289 21.723 -10.122 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.339 20.051 -7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.492 21.777 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.183 20.643 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.406 22.278 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.338 23.350 -9.070 1.00 0.00 H new ATOM 302 N ALA A 22 -4.413 23.161 -7.640 1.00 0.00 N ATOM 303 CA ALA A 22 -5.167 24.108 -6.828 1.00 0.00 C ATOM 304 C ALA A 22 -6.657 23.783 -6.848 1.00 0.00 C ATOM 305 O ALA A 22 -7.489 24.627 -6.517 1.00 0.00 O ATOM 306 CB ALA A 22 -4.928 25.529 -7.315 1.00 0.00 C ATOM 0 H ALA A 22 -4.199 23.490 -8.581 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.817 24.025 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.497 26.225 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.866 25.765 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.249 25.617 -8.353 1.00 0.00 H new ATOM 312 N GLN A 23 -6.985 22.556 -7.238 1.00 0.00 N ATOM 313 CA GLN A 23 -8.376 22.121 -7.303 1.00 0.00 C ATOM 314 C GLN A 23 -8.960 21.957 -5.903 1.00 0.00 C ATOM 315 O GLN A 23 -8.298 21.446 -4.999 1.00 0.00 O ATOM 316 CB GLN A 23 -8.485 20.804 -8.072 1.00 0.00 C ATOM 317 CG GLN A 23 -8.179 19.578 -7.227 1.00 0.00 C ATOM 318 CD GLN A 23 -8.517 18.281 -7.935 1.00 0.00 C ATOM 319 OE1 GLN A 23 -9.657 17.817 -7.896 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.525 17.687 -8.589 1.00 0.00 N ATOM 0 H GLN A 23 -6.307 21.845 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.947 22.887 -7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.492 20.713 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.801 20.830 -8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.121 19.578 -6.963 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.740 19.635 -6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.595 18.106 -8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.693 16.812 -9.085 1.00 0.00 H new ATOM 329 N LEU A 24 -10.203 22.393 -5.731 1.00 0.00 N ATOM 330 CA LEU A 24 -10.877 22.294 -4.441 1.00 0.00 C ATOM 331 C LEU A 24 -11.749 21.044 -4.377 1.00 0.00 C ATOM 332 O LEU A 24 -12.476 20.832 -3.407 1.00 0.00 O ATOM 333 CB LEU A 24 -11.730 23.539 -4.193 1.00 0.00 C ATOM 334 CG LEU A 24 -11.019 24.719 -3.531 1.00 0.00 C ATOM 335 CD1 LEU A 24 -9.906 25.242 -4.426 1.00 0.00 C ATOM 336 CD2 LEU A 24 -12.011 25.827 -3.209 1.00 0.00 C ATOM 0 H LEU A 24 -10.765 22.818 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.115 22.223 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.134 23.874 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.578 23.256 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.575 24.373 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.411 26.082 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.181 24.448 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.327 25.571 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.487 26.659 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.484 26.170 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.773 25.447 -2.529 1.00 0.00 H new ATOM 348 N SER A 25 -11.669 20.219 -5.416 1.00 0.00 N ATOM 349 CA SER A 25 -12.452 18.990 -5.478 1.00 0.00 C ATOM 350 C SER A 25 -11.690 17.828 -4.850 1.00 0.00 C ATOM 351 O SER A 25 -10.539 17.566 -5.197 1.00 0.00 O ATOM 352 CB SER A 25 -12.805 18.659 -6.929 1.00 0.00 C ATOM 353 OG SER A 25 -12.892 19.835 -7.715 1.00 0.00 O ATOM 0 H SER A 25 -11.070 20.379 -6.226 1.00 0.00 H new ATOM 0 HA SER A 25 -13.372 19.145 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.050 17.994 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.754 18.125 -6.963 1.00 0.00 H new ATOM 0 HG SER A 25 -13.117 19.595 -8.638 1.00 0.00 H new ATOM 359 N ARG A 26 -12.342 17.134 -3.922 1.00 0.00 N ATOM 360 CA ARG A 26 -11.727 16.000 -3.244 1.00 0.00 C ATOM 361 C ARG A 26 -12.645 14.781 -3.279 1.00 0.00 C ATOM 362 O ARG A 26 -13.836 14.861 -2.976 1.00 0.00 O ATOM 363 CB ARG A 26 -11.399 16.362 -1.794 1.00 0.00 C ATOM 364 CG ARG A 26 -10.174 15.646 -1.249 1.00 0.00 C ATOM 365 CD ARG A 26 -10.481 14.196 -0.911 1.00 0.00 C ATOM 366 NE ARG A 26 -10.959 14.043 0.461 1.00 0.00 N ATOM 367 CZ ARG A 26 -12.244 14.072 0.798 1.00 0.00 C ATOM 368 NH1 ARG A 26 -13.173 14.246 -0.131 1.00 0.00 N ATOM 369 NH2 ARG A 26 -12.601 13.926 2.068 1.00 0.00 N ATOM 0 H ARG A 26 -13.296 17.338 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.804 15.753 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.241 17.438 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.258 16.124 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.370 15.687 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.817 16.161 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.233 13.814 -1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.584 13.593 -1.052 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.269 13.907 1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.902 14.358 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.159 14.268 0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.889 13.791 2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.588 13.948 2.326 1.00 0.00 H new ATOM 383 N PRO A 27 -12.080 13.625 -3.658 1.00 0.00 N ATOM 384 CA PRO A 27 -10.664 13.518 -4.022 1.00 0.00 C ATOM 385 C PRO A 27 -10.349 14.218 -5.340 1.00 0.00 C ATOM 386 O PRO A 27 -11.250 14.680 -6.040 1.00 0.00 O ATOM 387 CB PRO A 27 -10.444 12.009 -4.152 1.00 0.00 C ATOM 388 CG PRO A 27 -11.790 11.457 -4.476 1.00 0.00 C ATOM 389 CD PRO A 27 -12.780 12.334 -3.762 1.00 0.00 C ATOM 0 HA PRO A 27 -10.017 13.995 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.723 11.780 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.054 11.584 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.966 11.465 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.877 10.422 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.711 12.426 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.035 11.935 -2.780 1.00 0.00 H new ATOM 397 N LYS A 28 -9.065 14.291 -5.673 1.00 0.00 N ATOM 398 CA LYS A 28 -8.630 14.933 -6.908 1.00 0.00 C ATOM 399 C LYS A 28 -9.225 14.231 -8.124 1.00 0.00 C ATOM 400 O LYS A 28 -8.967 13.050 -8.360 1.00 0.00 O ATOM 401 CB LYS A 28 -7.102 14.927 -6.999 1.00 0.00 C ATOM 402 CG LYS A 28 -6.419 15.548 -5.793 1.00 0.00 C ATOM 403 CD LYS A 28 -6.301 17.056 -5.933 1.00 0.00 C ATOM 404 CE LYS A 28 -5.662 17.683 -4.703 1.00 0.00 C ATOM 405 NZ LYS A 28 -6.607 17.733 -3.553 1.00 0.00 N ATOM 0 H LYS A 28 -8.307 13.913 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.983 15.964 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.757 13.899 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.798 15.466 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.983 15.309 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.426 15.114 -5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.706 17.295 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.290 17.486 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.777 17.112 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.327 18.692 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.140 18.182 -2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.448 18.285 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.894 16.767 -3.297 1.00 0.00 H new ATOM 419 N LYS A 29 -10.021 14.965 -8.894 1.00 0.00 N ATOM 420 CA LYS A 29 -10.650 14.414 -10.089 1.00 0.00 C ATOM 421 C LYS A 29 -9.971 14.936 -11.351 1.00 0.00 C ATOM 422 O LYS A 29 -9.419 16.036 -11.362 1.00 0.00 O ATOM 423 CB LYS A 29 -12.139 14.768 -10.115 1.00 0.00 C ATOM 424 CG LYS A 29 -12.844 14.530 -8.790 1.00 0.00 C ATOM 425 CD LYS A 29 -14.354 14.537 -8.953 1.00 0.00 C ATOM 426 CE LYS A 29 -14.826 15.758 -9.728 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.652 17.013 -8.945 1.00 0.00 N ATOM 0 H LYS A 29 -10.246 15.943 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.540 13.330 -10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.250 15.816 -10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.630 14.179 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.526 13.574 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.550 15.301 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.669 13.632 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.827 14.523 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.269 15.833 -10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.877 15.637 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.364 17.710 -9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.771 16.809 -7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.700 17.397 -9.112 1.00 0.00 H new ATOM 441 N SER A 30 -10.017 14.139 -12.414 1.00 0.00 N ATOM 442 CA SER A 30 -9.404 14.520 -13.682 1.00 0.00 C ATOM 443 C SER A 30 -10.453 15.049 -14.655 1.00 0.00 C ATOM 444 O SER A 30 -11.652 14.834 -14.472 1.00 0.00 O ATOM 445 CB SER A 30 -8.676 13.325 -14.299 1.00 0.00 C ATOM 446 OG SER A 30 -8.238 13.619 -15.615 1.00 0.00 O ATOM 0 H SER A 30 -10.472 13.226 -12.423 1.00 0.00 H new ATOM 0 HA SER A 30 -8.683 15.314 -13.486 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.821 13.057 -13.679 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.340 12.461 -14.318 1.00 0.00 H new ATOM 0 HG SER A 30 -8.937 13.371 -16.255 1.00 0.00 H new ATOM 452 N CYS A 31 -9.994 15.742 -15.692 1.00 0.00 N ATOM 453 CA CYS A 31 -10.890 16.303 -16.695 1.00 0.00 C ATOM 454 C CYS A 31 -11.669 15.200 -17.406 1.00 0.00 C ATOM 455 O CYS A 31 -11.223 14.055 -17.473 1.00 0.00 O ATOM 456 CB CYS A 31 -10.097 17.122 -17.716 1.00 0.00 C ATOM 457 SG CYS A 31 -10.866 17.199 -19.366 1.00 0.00 S ATOM 0 H CYS A 31 -9.005 15.928 -15.859 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.600 16.956 -16.188 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.975 18.136 -17.336 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -9.099 16.695 -17.812 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.021 18.442 -19.715 1.00 0.00 H new ATOM 462 N ASP A 32 -12.835 15.554 -17.935 1.00 0.00 N ATOM 463 CA ASP A 32 -13.676 14.596 -18.642 1.00 0.00 C ATOM 464 C ASP A 32 -13.941 15.057 -20.072 1.00 0.00 C ATOM 465 O ASP A 32 -14.625 16.056 -20.296 1.00 0.00 O ATOM 466 CB ASP A 32 -15.001 14.403 -17.902 1.00 0.00 C ATOM 467 CG ASP A 32 -15.793 13.224 -18.430 1.00 0.00 C ATOM 468 OD1 ASP A 32 -16.131 13.227 -19.632 1.00 0.00 O ATOM 469 OD2 ASP A 32 -16.077 12.298 -17.641 1.00 0.00 O ATOM 0 H ASP A 32 -13.219 16.498 -17.887 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.147 13.644 -18.678 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.803 14.257 -16.840 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.600 15.309 -17.993 1.00 0.00 H new ATOM 474 N ARG A 33 -13.394 14.323 -21.036 1.00 0.00 N ATOM 475 CA ARG A 33 -13.570 14.657 -22.444 1.00 0.00 C ATOM 476 C ARG A 33 -13.070 13.526 -23.338 1.00 0.00 C ATOM 477 O ARG A 33 -12.300 12.670 -22.903 1.00 0.00 O ATOM 478 CB ARG A 33 -12.827 15.952 -22.779 1.00 0.00 C ATOM 479 CG ARG A 33 -13.190 16.529 -24.137 1.00 0.00 C ATOM 480 CD ARG A 33 -14.686 16.776 -24.255 1.00 0.00 C ATOM 481 NE ARG A 33 -15.009 17.655 -25.376 1.00 0.00 N ATOM 482 CZ ARG A 33 -16.160 18.308 -25.490 1.00 0.00 C ATOM 483 NH1 ARG A 33 -17.093 18.182 -24.556 1.00 0.00 N ATOM 484 NH2 ARG A 33 -16.380 19.089 -26.540 1.00 0.00 N ATOM 0 H ARG A 33 -12.825 13.493 -20.867 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.635 14.798 -22.628 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.042 16.694 -22.010 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.754 15.763 -22.749 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.652 17.464 -24.292 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.870 15.844 -24.922 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.202 15.824 -24.381 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.054 17.219 -23.330 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.312 17.774 -26.112 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.928 17.582 -23.748 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.976 18.685 -24.646 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.665 19.188 -27.261 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.264 19.590 -26.627 1.00 0.00 H new ATOM 498 N THR A 34 -13.515 13.529 -24.591 1.00 0.00 N ATOM 499 CA THR A 34 -13.115 12.503 -25.546 1.00 0.00 C ATOM 500 C THR A 34 -13.038 13.068 -26.960 1.00 0.00 C ATOM 501 O THR A 34 -13.653 14.090 -27.265 1.00 0.00 O ATOM 502 CB THR A 34 -14.093 11.313 -25.534 1.00 0.00 C ATOM 503 OG1 THR A 34 -15.433 11.781 -25.343 1.00 0.00 O ATOM 504 CG2 THR A 34 -13.733 10.328 -24.432 1.00 0.00 C ATOM 0 H THR A 34 -14.152 14.231 -24.968 1.00 0.00 H new ATOM 0 HA THR A 34 -12.128 12.156 -25.242 1.00 0.00 H new ATOM 0 HB THR A 34 -14.021 10.803 -26.494 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.048 11.018 -25.338 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.437 9.496 -24.443 1.00 0.00 H new ATOM 0 HG22 THR A 34 -12.724 9.951 -24.597 1.00 0.00 H new ATOM 0 HG23 THR A 34 -13.780 10.830 -23.466 1.00 0.00 H new ATOM 512 N PHE A 35 -12.278 12.397 -27.819 1.00 0.00 N ATOM 513 CA PHE A 35 -12.120 12.832 -29.202 1.00 0.00 C ATOM 514 C PHE A 35 -11.835 11.645 -30.117 1.00 0.00 C ATOM 515 O PHE A 35 -11.585 10.534 -29.650 1.00 0.00 O ATOM 516 CB PHE A 35 -10.989 13.857 -29.310 1.00 0.00 C ATOM 517 CG PHE A 35 -11.124 15.002 -28.346 1.00 0.00 C ATOM 518 CD1 PHE A 35 -12.018 16.031 -28.594 1.00 0.00 C ATOM 519 CD2 PHE A 35 -10.356 15.049 -27.194 1.00 0.00 C ATOM 520 CE1 PHE A 35 -12.143 17.086 -27.709 1.00 0.00 C ATOM 521 CE2 PHE A 35 -10.477 16.101 -26.306 1.00 0.00 C ATOM 522 CZ PHE A 35 -11.373 17.120 -26.564 1.00 0.00 C ATOM 0 H PHE A 35 -11.762 11.550 -27.582 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.054 13.296 -29.519 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.037 13.356 -29.135 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -10.961 14.250 -30.326 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.624 16.009 -29.488 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.655 14.254 -26.987 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -12.843 17.883 -27.914 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.872 16.126 -25.412 1.00 0.00 H new ATOM 0 HZ PHE A 35 -11.471 17.942 -25.871 1.00 0.00 H new ATOM 532 N SER A 36 -11.875 11.890 -31.423 1.00 0.00 N ATOM 533 CA SER A 36 -11.626 10.841 -32.405 1.00 0.00 C ATOM 534 C SER A 36 -10.326 11.101 -33.160 1.00 0.00 C ATOM 535 O SER A 36 -9.717 10.182 -33.709 1.00 0.00 O ATOM 536 CB SER A 36 -12.792 10.748 -33.391 1.00 0.00 C ATOM 537 OG SER A 36 -12.925 9.433 -33.901 1.00 0.00 O ATOM 0 H SER A 36 -12.077 12.805 -31.825 1.00 0.00 H new ATOM 0 HA SER A 36 -11.534 9.894 -31.873 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.716 11.044 -32.895 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.634 11.446 -34.213 1.00 0.00 H new ATOM 0 HG SER A 36 -13.678 9.400 -34.527 1.00 0.00 H new ATOM 543 N THR A 37 -9.905 12.362 -33.183 1.00 0.00 N ATOM 544 CA THR A 37 -8.679 12.746 -33.871 1.00 0.00 C ATOM 545 C THR A 37 -7.733 13.489 -32.935 1.00 0.00 C ATOM 546 O THR A 37 -8.165 14.104 -31.960 1.00 0.00 O ATOM 547 CB THR A 37 -8.975 13.635 -35.094 1.00 0.00 C ATOM 548 OG1 THR A 37 -8.971 15.014 -34.710 1.00 0.00 O ATOM 549 CG2 THR A 37 -10.320 13.278 -35.709 1.00 0.00 C ATOM 0 H THR A 37 -10.396 13.135 -32.733 1.00 0.00 H new ATOM 0 HA THR A 37 -8.204 11.824 -34.207 1.00 0.00 H new ATOM 0 HB THR A 37 -8.196 13.464 -35.837 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.158 15.572 -35.493 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.508 13.919 -36.571 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.309 12.236 -36.027 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.108 13.424 -34.970 1.00 0.00 H new ATOM 557 N MET A 38 -6.440 13.429 -33.237 1.00 0.00 N ATOM 558 CA MET A 38 -5.433 14.099 -32.422 1.00 0.00 C ATOM 559 C MET A 38 -5.717 15.594 -32.328 1.00 0.00 C ATOM 560 O MET A 38 -5.841 16.145 -31.234 1.00 0.00 O ATOM 561 CB MET A 38 -4.038 13.868 -33.006 1.00 0.00 C ATOM 562 CG MET A 38 -2.929 14.545 -32.217 1.00 0.00 C ATOM 563 SD MET A 38 -3.166 14.414 -30.434 1.00 0.00 S ATOM 564 CE MET A 38 -3.358 12.643 -30.247 1.00 0.00 C ATOM 0 H MET A 38 -6.065 12.924 -34.040 1.00 0.00 H new ATOM 0 HA MET A 38 -5.473 13.676 -31.418 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.843 12.796 -33.045 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.018 14.234 -34.033 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.972 14.098 -32.486 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.880 15.597 -32.497 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.705 12.419 -29.238 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.087 12.278 -30.971 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.399 12.153 -30.418 1.00 0.00 H new ATOM 574 N HIS A 39 -5.819 16.247 -33.482 1.00 0.00 N ATOM 575 CA HIS A 39 -6.089 17.680 -33.529 1.00 0.00 C ATOM 576 C HIS A 39 -7.176 18.061 -32.528 1.00 0.00 C ATOM 577 O HIS A 39 -7.063 19.067 -31.830 1.00 0.00 O ATOM 578 CB HIS A 39 -6.508 18.095 -34.939 1.00 0.00 C ATOM 579 CG HIS A 39 -5.363 18.201 -35.898 1.00 0.00 C ATOM 580 ND1 HIS A 39 -5.531 18.308 -37.263 1.00 0.00 N ATOM 581 CD2 HIS A 39 -4.027 18.217 -35.683 1.00 0.00 C ATOM 582 CE1 HIS A 39 -4.348 18.384 -37.845 1.00 0.00 C ATOM 583 NE2 HIS A 39 -3.418 18.331 -36.909 1.00 0.00 N ATOM 0 H HIS A 39 -5.719 15.807 -34.397 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.173 18.207 -33.261 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.227 17.371 -35.323 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.019 19.056 -34.889 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.532 18.152 -34.725 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.171 18.474 -38.907 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.412 18.369 -37.070 1.00 0.00 H new ATOM 591 N GLU A 40 -8.227 17.250 -32.467 1.00 0.00 N ATOM 592 CA GLU A 40 -9.335 17.504 -31.553 1.00 0.00 C ATOM 593 C GLU A 40 -8.850 17.536 -30.106 1.00 0.00 C ATOM 594 O GLU A 40 -9.230 18.415 -29.331 1.00 0.00 O ATOM 595 CB GLU A 40 -10.416 16.434 -31.716 1.00 0.00 C ATOM 596 CG GLU A 40 -11.291 16.635 -32.942 1.00 0.00 C ATOM 597 CD GLU A 40 -11.719 18.078 -33.123 1.00 0.00 C ATOM 598 OE1 GLU A 40 -12.372 18.623 -32.208 1.00 0.00 O ATOM 599 OE2 GLU A 40 -11.401 18.663 -34.179 1.00 0.00 O ATOM 0 H GLU A 40 -8.335 16.412 -33.039 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.758 18.478 -31.798 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.940 15.455 -31.776 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.047 16.428 -30.827 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.748 16.307 -33.829 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.177 16.005 -32.859 1.00 0.00 H new ATOM 606 N LEU A 41 -8.009 16.571 -29.749 1.00 0.00 N ATOM 607 CA LEU A 41 -7.472 16.487 -28.395 1.00 0.00 C ATOM 608 C LEU A 41 -6.566 17.677 -28.094 1.00 0.00 C ATOM 609 O LEU A 41 -6.751 18.376 -27.099 1.00 0.00 O ATOM 610 CB LEU A 41 -6.697 15.182 -28.213 1.00 0.00 C ATOM 611 CG LEU A 41 -5.803 15.098 -26.975 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.612 15.364 -25.715 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.123 13.739 -26.898 1.00 0.00 C ATOM 0 H LEU A 41 -7.684 15.836 -30.378 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.309 16.505 -27.697 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.412 14.360 -28.176 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.077 15.025 -29.096 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.031 15.863 -27.055 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.960 15.300 -24.844 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.051 16.360 -25.768 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.406 14.622 -25.629 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.491 13.698 -26.011 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.879 12.956 -26.841 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.511 13.588 -27.787 1.00 0.00 H new ATOM 625 N VAL A 42 -5.585 17.901 -28.963 1.00 0.00 N ATOM 626 CA VAL A 42 -4.651 19.008 -28.793 1.00 0.00 C ATOM 627 C VAL A 42 -5.391 20.330 -28.621 1.00 0.00 C ATOM 628 O VAL A 42 -5.233 21.016 -27.611 1.00 0.00 O ATOM 629 CB VAL A 42 -3.691 19.122 -29.992 1.00 0.00 C ATOM 630 CG1 VAL A 42 -2.723 20.278 -29.793 1.00 0.00 C ATOM 631 CG2 VAL A 42 -2.939 17.816 -30.198 1.00 0.00 C ATOM 0 H VAL A 42 -5.417 17.331 -29.792 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.073 18.799 -27.893 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.279 19.322 -30.888 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.053 20.343 -30.650 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.282 21.209 -29.698 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.139 20.112 -28.888 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.265 17.914 -31.049 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.362 17.584 -29.303 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.651 17.013 -30.389 1.00 0.00 H new ATOM 641 N THR A 43 -6.201 20.682 -29.615 1.00 0.00 N ATOM 642 CA THR A 43 -6.965 21.922 -29.575 1.00 0.00 C ATOM 643 C THR A 43 -7.691 22.078 -28.243 1.00 0.00 C ATOM 644 O THR A 43 -7.904 23.194 -27.767 1.00 0.00 O ATOM 645 CB THR A 43 -7.996 21.985 -30.718 1.00 0.00 C ATOM 646 OG1 THR A 43 -7.331 21.883 -31.982 1.00 0.00 O ATOM 647 CG2 THR A 43 -8.791 23.280 -30.660 1.00 0.00 C ATOM 0 H THR A 43 -6.344 20.125 -30.458 1.00 0.00 H new ATOM 0 HA THR A 43 -6.251 22.736 -29.695 1.00 0.00 H new ATOM 0 HB THR A 43 -8.686 21.149 -30.602 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.105 20.946 -32.158 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.512 23.301 -31.477 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.319 23.341 -29.708 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.112 24.128 -30.753 1.00 0.00 H new ATOM 655 N HIS A 44 -8.068 20.952 -27.645 1.00 0.00 N ATOM 656 CA HIS A 44 -8.769 20.964 -26.366 1.00 0.00 C ATOM 657 C HIS A 44 -7.793 21.177 -25.213 1.00 0.00 C ATOM 658 O HIS A 44 -7.874 22.173 -24.493 1.00 0.00 O ATOM 659 CB HIS A 44 -9.533 19.655 -26.167 1.00 0.00 C ATOM 660 CG HIS A 44 -9.849 19.357 -24.733 1.00 0.00 C ATOM 661 ND1 HIS A 44 -10.974 19.836 -24.096 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.180 18.624 -23.813 1.00 0.00 C ATOM 663 CE1 HIS A 44 -10.983 19.411 -22.845 1.00 0.00 C ATOM 664 NE2 HIS A 44 -9.905 18.673 -22.648 1.00 0.00 N ATOM 0 H HIS A 44 -7.900 20.021 -28.025 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.478 21.792 -26.376 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.463 19.697 -26.734 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.945 18.835 -26.579 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.249 18.098 -23.967 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.742 19.630 -22.109 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.652 18.214 -21.773 1.00 0.00 H new ATOM 672 N VAL A 45 -6.871 20.235 -25.043 1.00 0.00 N ATOM 673 CA VAL A 45 -5.879 20.320 -23.978 1.00 0.00 C ATOM 674 C VAL A 45 -5.111 21.635 -24.045 1.00 0.00 C ATOM 675 O VAL A 45 -4.522 22.076 -23.057 1.00 0.00 O ATOM 676 CB VAL A 45 -4.879 19.150 -24.047 1.00 0.00 C ATOM 677 CG1 VAL A 45 -3.941 19.177 -22.850 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.618 17.823 -24.126 1.00 0.00 C ATOM 0 H VAL A 45 -6.790 19.404 -25.629 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.423 20.268 -23.035 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.279 19.260 -24.950 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.242 18.343 -22.916 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.387 20.115 -22.843 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.521 19.092 -21.931 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.897 17.007 -24.174 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.244 17.702 -23.242 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.243 17.807 -25.019 1.00 0.00 H new ATOM 688 N THR A 46 -5.120 22.260 -25.219 1.00 0.00 N ATOM 689 CA THR A 46 -4.424 23.525 -25.416 1.00 0.00 C ATOM 690 C THR A 46 -5.359 24.708 -25.191 1.00 0.00 C ATOM 691 O THR A 46 -5.067 25.598 -24.393 1.00 0.00 O ATOM 692 CB THR A 46 -3.824 23.621 -26.832 1.00 0.00 C ATOM 693 OG1 THR A 46 -3.127 22.412 -27.152 1.00 0.00 O ATOM 694 CG2 THR A 46 -2.873 24.804 -26.938 1.00 0.00 C ATOM 0 H THR A 46 -5.602 21.910 -26.047 1.00 0.00 H new ATOM 0 HA THR A 46 -3.617 23.559 -24.684 1.00 0.00 H new ATOM 0 HB THR A 46 -4.640 23.767 -27.539 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.774 21.713 -27.384 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.462 24.851 -27.946 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.414 25.726 -26.723 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.061 24.684 -26.221 1.00 0.00 H new ATOM 702 N MET A 47 -6.483 24.711 -25.900 1.00 0.00 N ATOM 703 CA MET A 47 -7.461 25.785 -25.775 1.00 0.00 C ATOM 704 C MET A 47 -8.461 25.483 -24.663 1.00 0.00 C ATOM 705 O MET A 47 -8.696 26.313 -23.786 1.00 0.00 O ATOM 706 CB MET A 47 -8.200 25.987 -27.100 1.00 0.00 C ATOM 707 CG MET A 47 -7.273 26.171 -28.290 1.00 0.00 C ATOM 708 SD MET A 47 -7.559 27.725 -29.160 1.00 0.00 S ATOM 709 CE MET A 47 -9.261 27.515 -29.677 1.00 0.00 C ATOM 0 H MET A 47 -6.739 23.982 -26.566 1.00 0.00 H new ATOM 0 HA MET A 47 -6.928 26.701 -25.521 1.00 0.00 H new ATOM 0 HB2 MET A 47 -8.845 25.127 -27.282 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.848 26.860 -27.016 1.00 0.00 H new ATOM 0 HG2 MET A 47 -6.238 26.135 -27.949 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.409 25.341 -28.983 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.457 28.141 -30.547 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.437 26.471 -29.935 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.927 27.805 -28.864 1.00 0.00 H new ATOM 719 N GLU A 48 -9.046 24.290 -24.707 1.00 0.00 N ATOM 720 CA GLU A 48 -10.021 23.881 -23.703 1.00 0.00 C ATOM 721 C GLU A 48 -9.346 23.632 -22.358 1.00 0.00 C ATOM 722 O GLU A 48 -9.989 23.211 -21.396 1.00 0.00 O ATOM 723 CB GLU A 48 -10.756 22.618 -24.159 1.00 0.00 C ATOM 724 CG GLU A 48 -11.732 22.859 -25.298 1.00 0.00 C ATOM 725 CD GLU A 48 -13.132 22.371 -24.979 1.00 0.00 C ATOM 726 OE1 GLU A 48 -13.794 22.987 -24.118 1.00 0.00 O ATOM 727 OE2 GLU A 48 -13.566 21.373 -25.592 1.00 0.00 O ATOM 0 H GLU A 48 -8.862 23.591 -25.426 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.742 24.690 -23.583 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.023 21.874 -24.471 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.297 22.197 -23.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.765 23.925 -25.524 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.371 22.355 -26.194 1.00 0.00 H new ATOM 734 N HIS A 49 -8.044 23.895 -22.299 1.00 0.00 N ATOM 735 CA HIS A 49 -7.280 23.700 -21.072 1.00 0.00 C ATOM 736 C HIS A 49 -6.249 24.810 -20.891 1.00 0.00 C ATOM 737 O HIS A 49 -6.410 25.690 -20.046 1.00 0.00 O ATOM 738 CB HIS A 49 -6.583 22.339 -21.091 1.00 0.00 C ATOM 739 CG HIS A 49 -7.339 21.269 -20.364 1.00 0.00 C ATOM 740 ND1 HIS A 49 -7.461 21.235 -18.991 1.00 0.00 N ATOM 741 CD2 HIS A 49 -8.014 20.192 -20.828 1.00 0.00 C ATOM 742 CE1 HIS A 49 -8.178 20.182 -18.641 1.00 0.00 C ATOM 743 NE2 HIS A 49 -8.527 19.533 -19.738 1.00 0.00 N ATOM 0 H HIS A 49 -7.497 24.243 -23.086 1.00 0.00 H new ATOM 0 HA HIS A 49 -7.974 23.733 -20.232 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.436 22.030 -22.126 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.594 22.440 -20.645 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.128 19.904 -21.863 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.435 19.900 -17.631 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.087 18.681 -19.770 1.00 0.00 H new ATOM 751 N VAL A 50 -5.188 24.762 -21.691 1.00 0.00 N ATOM 752 CA VAL A 50 -4.131 25.763 -21.621 1.00 0.00 C ATOM 753 C VAL A 50 -4.609 27.106 -22.161 1.00 0.00 C ATOM 754 O VAL A 50 -3.876 28.094 -22.135 1.00 0.00 O ATOM 755 CB VAL A 50 -2.884 25.319 -22.408 1.00 0.00 C ATOM 756 CG1 VAL A 50 -1.898 26.470 -22.541 1.00 0.00 C ATOM 757 CG2 VAL A 50 -2.229 24.121 -21.738 1.00 0.00 C ATOM 0 H VAL A 50 -5.038 24.040 -22.395 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.867 25.871 -20.569 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.196 25.021 -23.409 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.023 26.137 -23.100 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.373 27.297 -23.069 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.590 26.802 -21.549 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.350 23.821 -22.308 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.931 24.389 -20.725 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.937 23.293 -21.701 1.00 0.00 H new ATOM 767 N GLY A 51 -5.844 27.135 -22.652 1.00 0.00 N ATOM 768 CA GLY A 51 -6.400 28.362 -23.192 1.00 0.00 C ATOM 769 C GLY A 51 -5.831 28.705 -24.554 1.00 0.00 C ATOM 770 O GLY A 51 -5.006 27.969 -25.094 1.00 0.00 O ATOM 0 H GLY A 51 -6.470 26.330 -22.685 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.483 28.264 -23.268 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.202 29.182 -22.502 1.00 0.00 H new ATOM 774 N GLY A 52 -6.275 29.827 -25.114 1.00 0.00 N ATOM 775 CA GLY A 52 -5.795 30.245 -26.418 1.00 0.00 C ATOM 776 C GLY A 52 -4.603 31.176 -26.326 1.00 0.00 C ATOM 777 O GLY A 52 -3.926 31.253 -25.300 1.00 0.00 O ATOM 0 H GLY A 52 -6.958 30.453 -24.688 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.521 29.365 -27.000 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.601 30.744 -26.956 1.00 0.00 H new ATOM 781 N PRO A 53 -4.329 31.903 -27.419 1.00 0.00 N ATOM 782 CA PRO A 53 -3.208 32.846 -27.483 1.00 0.00 C ATOM 783 C PRO A 53 -3.430 34.071 -26.604 1.00 0.00 C ATOM 784 O PRO A 53 -2.609 34.988 -26.582 1.00 0.00 O ATOM 785 CB PRO A 53 -3.165 33.248 -28.959 1.00 0.00 C ATOM 786 CG PRO A 53 -4.556 33.035 -29.450 1.00 0.00 C ATOM 787 CD PRO A 53 -5.093 31.862 -28.678 1.00 0.00 C ATOM 0 HA PRO A 53 -2.281 32.401 -27.121 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.858 34.287 -29.078 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.451 32.639 -29.515 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.168 33.922 -29.287 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.565 32.834 -30.521 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.165 31.954 -28.501 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.938 30.925 -29.212 1.00 0.00 H new ATOM 795 N GLU A 54 -4.545 34.080 -25.879 1.00 0.00 N ATOM 796 CA GLU A 54 -4.874 35.195 -24.998 1.00 0.00 C ATOM 797 C GLU A 54 -4.640 34.821 -23.537 1.00 0.00 C ATOM 798 O GLU A 54 -5.471 35.101 -22.674 1.00 0.00 O ATOM 799 CB GLU A 54 -6.330 35.620 -25.200 1.00 0.00 C ATOM 800 CG GLU A 54 -6.653 36.982 -24.609 1.00 0.00 C ATOM 801 CD GLU A 54 -8.133 37.309 -24.670 1.00 0.00 C ATOM 802 OE1 GLU A 54 -8.920 36.423 -25.063 1.00 0.00 O ATOM 803 OE2 GLU A 54 -8.503 38.450 -24.324 1.00 0.00 O ATOM 0 H GLU A 54 -5.235 33.329 -25.884 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.220 36.030 -25.251 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.551 35.635 -26.267 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.984 34.873 -24.749 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.321 37.012 -23.571 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.093 37.748 -25.145 1.00 0.00 H new ATOM 810 N GLN A 55 -3.502 34.187 -23.270 1.00 0.00 N ATOM 811 CA GLN A 55 -3.159 33.774 -21.915 1.00 0.00 C ATOM 812 C GLN A 55 -1.689 34.050 -21.617 1.00 0.00 C ATOM 813 O GLN A 55 -0.821 33.813 -22.456 1.00 0.00 O ATOM 814 CB GLN A 55 -3.460 32.287 -21.721 1.00 0.00 C ATOM 815 CG GLN A 55 -4.945 31.973 -21.633 1.00 0.00 C ATOM 816 CD GLN A 55 -5.476 32.052 -20.216 1.00 0.00 C ATOM 817 OE1 GLN A 55 -6.479 32.716 -19.952 1.00 0.00 O ATOM 818 NE2 GLN A 55 -4.805 31.373 -19.293 1.00 0.00 N ATOM 0 H GLN A 55 -2.803 33.949 -23.974 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.767 34.354 -21.221 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.027 31.726 -22.549 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.970 31.941 -20.811 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.498 32.670 -22.263 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.125 30.974 -22.029 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.979 30.836 -19.555 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.116 31.389 -18.322 1.00 0.00 H new ATOM 827 N ASN A 56 -1.418 34.554 -20.418 1.00 0.00 N ATOM 828 CA ASN A 56 -0.052 34.864 -20.010 1.00 0.00 C ATOM 829 C ASN A 56 0.609 33.653 -19.357 1.00 0.00 C ATOM 830 O ASN A 56 1.444 32.986 -19.966 1.00 0.00 O ATOM 831 CB ASN A 56 -0.043 36.048 -19.041 1.00 0.00 C ATOM 832 CG ASN A 56 -0.683 37.287 -19.637 1.00 0.00 C ATOM 833 OD1 ASN A 56 -1.900 37.349 -19.811 1.00 0.00 O ATOM 834 ND2 ASN A 56 0.138 38.283 -19.952 1.00 0.00 N ATOM 0 H ASN A 56 -2.125 34.757 -19.712 1.00 0.00 H new ATOM 0 HA ASN A 56 0.516 35.129 -20.902 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.572 35.772 -18.129 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.985 36.274 -18.757 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.234 39.143 -20.355 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.141 38.188 -19.790 1.00 0.00 H new ATOM 841 N ASN A 57 0.227 33.377 -18.114 1.00 0.00 N ATOM 842 CA ASN A 57 0.782 32.246 -17.378 1.00 0.00 C ATOM 843 C ASN A 57 0.000 30.970 -17.671 1.00 0.00 C ATOM 844 O ASN A 57 -1.057 30.728 -17.086 1.00 0.00 O ATOM 845 CB ASN A 57 0.769 32.533 -15.876 1.00 0.00 C ATOM 846 CG ASN A 57 1.588 31.529 -15.088 1.00 0.00 C ATOM 847 OD1 ASN A 57 2.706 31.187 -15.471 1.00 0.00 O ATOM 848 ND2 ASN A 57 1.032 31.051 -13.980 1.00 0.00 N ATOM 0 H ASN A 57 -0.464 33.920 -17.596 1.00 0.00 H new ATOM 0 HA ASN A 57 1.812 32.102 -17.704 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.158 33.535 -15.697 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.260 32.521 -15.516 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.535 30.372 -13.409 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.102 31.363 -13.700 1.00 0.00 H new ATOM 855 N HIS A 58 0.527 30.154 -18.579 1.00 0.00 N ATOM 856 CA HIS A 58 -0.122 28.901 -18.949 1.00 0.00 C ATOM 857 C HIS A 58 0.637 27.708 -18.377 1.00 0.00 C ATOM 858 O HIS A 58 1.842 27.567 -18.585 1.00 0.00 O ATOM 859 CB HIS A 58 -0.214 28.780 -20.470 1.00 0.00 C ATOM 860 CG HIS A 58 0.929 29.424 -21.193 1.00 0.00 C ATOM 861 ND1 HIS A 58 0.809 30.613 -21.881 1.00 0.00 N ATOM 862 CD2 HIS A 58 2.219 29.040 -21.331 1.00 0.00 C ATOM 863 CE1 HIS A 58 1.976 30.931 -22.412 1.00 0.00 C ATOM 864 NE2 HIS A 58 2.849 29.993 -22.093 1.00 0.00 N ATOM 0 H HIS A 58 1.401 30.338 -19.072 1.00 0.00 H new ATOM 0 HA HIS A 58 -1.129 28.904 -18.531 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -0.256 27.725 -20.740 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.147 29.232 -20.806 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.670 28.149 -20.918 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.181 31.809 -23.006 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.831 29.979 -22.368 1.00 0.00 H new ATOM 872 N VAL A 59 -0.076 26.850 -17.654 1.00 0.00 N ATOM 873 CA VAL A 59 0.529 25.669 -17.051 1.00 0.00 C ATOM 874 C VAL A 59 -0.352 24.440 -17.247 1.00 0.00 C ATOM 875 O VAL A 59 -1.571 24.504 -17.087 1.00 0.00 O ATOM 876 CB VAL A 59 0.781 25.872 -15.545 1.00 0.00 C ATOM 877 CG1 VAL A 59 1.564 24.702 -14.972 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.510 27.185 -15.300 1.00 0.00 C ATOM 0 H VAL A 59 -1.074 26.951 -17.472 1.00 0.00 H new ATOM 0 HA VAL A 59 1.484 25.512 -17.552 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.182 25.917 -15.035 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.732 24.863 -13.907 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.999 23.781 -15.114 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.523 24.621 -15.483 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.680 27.313 -14.231 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.467 27.172 -15.821 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.905 28.012 -15.673 1.00 0.00 H new ATOM 888 N CYS A 60 0.274 23.319 -17.592 1.00 0.00 N ATOM 889 CA CYS A 60 -0.452 22.074 -17.809 1.00 0.00 C ATOM 890 C CYS A 60 -0.212 21.097 -16.662 1.00 0.00 C ATOM 891 O CYS A 60 0.913 20.648 -16.439 1.00 0.00 O ATOM 892 CB CYS A 60 -0.027 21.436 -19.134 1.00 0.00 C ATOM 893 SG CYS A 60 0.060 19.617 -19.089 1.00 0.00 S ATOM 0 H CYS A 60 1.283 23.248 -17.727 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.516 22.305 -17.849 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.729 21.736 -19.911 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.949 21.829 -19.418 1.00 0.00 H new ATOM 0 HG CYS A 60 0.740 19.241 -18.047 1.00 0.00 H new ATOM 898 N TYR A 61 -1.276 20.772 -15.937 1.00 0.00 N ATOM 899 CA TYR A 61 -1.182 19.850 -14.811 1.00 0.00 C ATOM 900 C TYR A 61 -1.710 18.470 -15.191 1.00 0.00 C ATOM 901 O TYR A 61 -2.915 18.224 -15.158 1.00 0.00 O ATOM 902 CB TYR A 61 -1.961 20.395 -13.612 1.00 0.00 C ATOM 903 CG TYR A 61 -1.749 21.873 -13.373 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.421 22.822 -14.133 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.879 22.319 -12.386 1.00 0.00 C ATOM 906 CE1 TYR A 61 -2.230 24.174 -13.919 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.683 23.668 -12.164 1.00 0.00 C ATOM 908 CZ TYR A 61 -1.360 24.592 -12.933 1.00 0.00 C ATOM 909 OH TYR A 61 -1.169 25.937 -12.715 1.00 0.00 O ATOM 0 H TYR A 61 -2.214 21.133 -16.109 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.131 19.754 -14.539 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.024 20.209 -13.765 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.667 19.845 -12.718 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.104 22.498 -14.904 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.347 21.599 -11.782 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.759 24.899 -14.520 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.003 23.998 -11.392 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.527 26.062 -11.985 1.00 0.00 H new ATOM 919 N TRP A 62 -0.798 17.574 -15.550 1.00 0.00 N ATOM 920 CA TRP A 62 -1.171 16.217 -15.935 1.00 0.00 C ATOM 921 C TRP A 62 -1.175 15.289 -14.726 1.00 0.00 C ATOM 922 O TRP A 62 -0.363 15.442 -13.813 1.00 0.00 O ATOM 923 CB TRP A 62 -0.209 15.685 -16.999 1.00 0.00 C ATOM 924 CG TRP A 62 -0.861 14.759 -17.980 1.00 0.00 C ATOM 925 CD1 TRP A 62 -0.793 13.395 -17.990 1.00 0.00 C ATOM 926 CD2 TRP A 62 -1.679 15.130 -19.095 1.00 0.00 C ATOM 927 NE1 TRP A 62 -1.519 12.896 -19.044 1.00 0.00 N ATOM 928 CE2 TRP A 62 -2.073 13.939 -19.737 1.00 0.00 C ATOM 929 CE3 TRP A 62 -2.119 16.351 -19.613 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -2.884 13.937 -20.869 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -2.923 16.347 -20.737 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.299 15.147 -21.354 1.00 0.00 C ATOM 0 H TRP A 62 0.204 17.762 -15.583 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.179 16.247 -16.348 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.226 16.526 -17.538 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.612 15.163 -16.508 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.249 12.797 -17.274 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.628 11.908 -19.273 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.836 17.281 -19.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.175 13.013 -21.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -3.267 17.285 -21.147 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.929 15.178 -22.230 1.00 0.00 H new ATOM 943 N GLU A 63 -2.093 14.328 -14.726 1.00 0.00 N ATOM 944 CA GLU A 63 -2.201 13.376 -13.627 1.00 0.00 C ATOM 945 C GLU A 63 -0.824 12.872 -13.206 1.00 0.00 C ATOM 946 O GLU A 63 -0.642 12.394 -12.087 1.00 0.00 O ATOM 947 CB GLU A 63 -3.087 12.195 -14.031 1.00 0.00 C ATOM 948 CG GLU A 63 -3.149 11.095 -12.985 1.00 0.00 C ATOM 949 CD GLU A 63 -4.275 10.112 -13.238 1.00 0.00 C ATOM 950 OE1 GLU A 63 -5.292 10.518 -13.839 1.00 0.00 O ATOM 951 OE2 GLU A 63 -4.140 8.938 -12.836 1.00 0.00 O ATOM 0 H GLU A 63 -2.772 14.188 -15.474 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.656 13.889 -12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.096 12.558 -14.224 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.715 11.775 -14.966 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.200 10.559 -12.970 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.277 11.543 -12.000 1.00 0.00 H new ATOM 958 N GLU A 64 0.143 12.983 -14.112 1.00 0.00 N ATOM 959 CA GLU A 64 1.504 12.537 -13.835 1.00 0.00 C ATOM 960 C GLU A 64 2.500 13.221 -14.766 1.00 0.00 C ATOM 961 O GLU A 64 3.511 12.633 -15.152 1.00 0.00 O ATOM 962 CB GLU A 64 1.607 11.018 -13.986 1.00 0.00 C ATOM 963 CG GLU A 64 1.650 10.276 -12.660 1.00 0.00 C ATOM 964 CD GLU A 64 1.384 8.791 -12.814 1.00 0.00 C ATOM 965 OE1 GLU A 64 0.348 8.433 -13.412 1.00 0.00 O ATOM 966 OE2 GLU A 64 2.212 7.988 -12.336 1.00 0.00 O ATOM 0 H GLU A 64 0.009 13.377 -15.043 1.00 0.00 H new ATOM 0 HA GLU A 64 1.747 12.810 -12.808 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.756 10.660 -14.565 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.504 10.778 -14.556 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.627 10.420 -12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.911 10.705 -11.983 1.00 0.00 H new ATOM 973 N CYS A 65 2.208 14.467 -15.124 1.00 0.00 N ATOM 974 CA CYS A 65 3.076 15.232 -16.011 1.00 0.00 C ATOM 975 C CYS A 65 4.538 15.089 -15.597 1.00 0.00 C ATOM 976 O CYS A 65 4.888 15.189 -14.421 1.00 0.00 O ATOM 977 CB CYS A 65 2.674 16.708 -16.004 1.00 0.00 C ATOM 978 SG CYS A 65 3.153 17.616 -17.508 1.00 0.00 S ATOM 0 H CYS A 65 1.376 14.969 -14.813 1.00 0.00 H new ATOM 0 HA CYS A 65 2.962 14.837 -17.020 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.594 16.779 -15.878 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.128 17.193 -15.140 1.00 0.00 H new ATOM 0 HG CYS A 65 2.768 18.854 -17.409 1.00 0.00 H new ATOM 983 N PRO A 66 5.412 14.851 -16.585 1.00 0.00 N ATOM 984 CA PRO A 66 6.850 14.691 -16.349 1.00 0.00 C ATOM 985 C PRO A 66 7.520 15.998 -15.940 1.00 0.00 C ATOM 986 O PRO A 66 8.545 15.995 -15.259 1.00 0.00 O ATOM 987 CB PRO A 66 7.382 14.218 -17.704 1.00 0.00 C ATOM 988 CG PRO A 66 6.402 14.739 -18.698 1.00 0.00 C ATOM 989 CD PRO A 66 5.065 14.719 -18.010 1.00 0.00 C ATOM 0 HA PRO A 66 7.054 14.000 -15.531 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.383 14.606 -17.894 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.448 13.131 -17.746 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.664 15.749 -19.012 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.389 14.120 -19.595 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.428 15.537 -18.346 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.525 13.793 -18.208 1.00 0.00 H new ATOM 997 N ARG A 67 6.933 17.114 -16.359 1.00 0.00 N ATOM 998 CA ARG A 67 7.474 18.429 -16.037 1.00 0.00 C ATOM 999 C ARG A 67 6.967 18.908 -14.679 1.00 0.00 C ATOM 1000 O ARG A 67 7.590 19.750 -14.035 1.00 0.00 O ATOM 1001 CB ARG A 67 7.093 19.440 -17.120 1.00 0.00 C ATOM 1002 CG ARG A 67 7.565 19.049 -18.511 1.00 0.00 C ATOM 1003 CD ARG A 67 9.006 19.473 -18.750 1.00 0.00 C ATOM 1004 NE ARG A 67 9.955 18.434 -18.360 1.00 0.00 N ATOM 1005 CZ ARG A 67 11.265 18.633 -18.266 1.00 0.00 C ATOM 1006 NH1 ARG A 67 11.778 19.826 -18.533 1.00 0.00 N ATOM 1007 NH2 ARG A 67 12.064 17.638 -17.904 1.00 0.00 N ATOM 0 H ARG A 67 6.083 17.134 -16.922 1.00 0.00 H new ATOM 0 HA ARG A 67 8.560 18.346 -15.992 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.009 19.555 -17.132 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.514 20.412 -16.862 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.477 17.970 -18.636 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.920 19.511 -19.259 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.143 19.712 -19.805 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.214 20.383 -18.188 1.00 0.00 H new ATOM 0 HE ARG A 67 9.592 17.505 -18.148 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.166 20.593 -18.811 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.784 19.976 -18.460 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.673 16.719 -17.698 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.070 17.792 -17.832 1.00 0.00 H new ATOM 1021 N GLU A 68 5.831 18.364 -14.252 1.00 0.00 N ATOM 1022 CA GLU A 68 5.241 18.736 -12.972 1.00 0.00 C ATOM 1023 C GLU A 68 4.695 20.160 -13.019 1.00 0.00 C ATOM 1024 O GLU A 68 4.637 20.849 -12.001 1.00 0.00 O ATOM 1025 CB GLU A 68 6.276 18.612 -11.852 1.00 0.00 C ATOM 1026 CG GLU A 68 7.248 17.461 -12.047 1.00 0.00 C ATOM 1027 CD GLU A 68 8.024 17.133 -10.786 1.00 0.00 C ATOM 1028 OE1 GLU A 68 7.456 16.466 -9.896 1.00 0.00 O ATOM 1029 OE2 GLU A 68 9.200 17.544 -10.689 1.00 0.00 O ATOM 0 H GLU A 68 5.302 17.665 -14.774 1.00 0.00 H new ATOM 0 HA GLU A 68 4.415 18.054 -12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.838 19.543 -11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.757 18.482 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.698 16.577 -12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.947 17.712 -12.845 1.00 0.00 H new ATOM 1036 N GLY A 69 4.295 20.596 -14.210 1.00 0.00 N ATOM 1037 CA GLY A 69 3.759 21.935 -14.368 1.00 0.00 C ATOM 1038 C GLY A 69 4.830 23.004 -14.266 1.00 0.00 C ATOM 1039 O GLY A 69 4.797 23.843 -13.366 1.00 0.00 O ATOM 0 H GLY A 69 4.333 20.046 -15.068 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.263 22.013 -15.336 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.000 22.112 -13.606 1.00 0.00 H new ATOM 1043 N LYS A 70 5.784 22.973 -15.191 1.00 0.00 N ATOM 1044 CA LYS A 70 6.870 23.945 -15.202 1.00 0.00 C ATOM 1045 C LYS A 70 6.652 24.993 -16.289 1.00 0.00 C ATOM 1046 O LYS A 70 6.871 24.729 -17.471 1.00 0.00 O ATOM 1047 CB LYS A 70 8.211 23.240 -15.420 1.00 0.00 C ATOM 1048 CG LYS A 70 8.906 22.842 -14.130 1.00 0.00 C ATOM 1049 CD LYS A 70 9.789 23.961 -13.603 1.00 0.00 C ATOM 1050 CE LYS A 70 8.979 24.999 -12.843 1.00 0.00 C ATOM 1051 NZ LYS A 70 8.039 24.369 -11.875 1.00 0.00 N ATOM 0 H LYS A 70 5.827 22.285 -15.943 1.00 0.00 H new ATOM 0 HA LYS A 70 6.884 24.448 -14.235 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.049 22.348 -16.025 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.869 23.897 -15.989 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.160 22.582 -13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.510 21.951 -14.301 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.554 23.544 -12.948 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.307 24.439 -14.434 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.655 25.668 -12.310 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.417 25.610 -13.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.669 25.094 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.250 23.931 -12.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.541 23.641 -11.328 1.00 0.00 H new ATOM 1065 N SER A 71 6.220 26.182 -15.881 1.00 0.00 N ATOM 1066 CA SER A 71 5.970 27.268 -16.821 1.00 0.00 C ATOM 1067 C SER A 71 7.034 27.296 -17.914 1.00 0.00 C ATOM 1068 O SER A 71 8.193 26.955 -17.678 1.00 0.00 O ATOM 1069 CB SER A 71 5.942 28.610 -16.086 1.00 0.00 C ATOM 1070 OG SER A 71 7.254 29.051 -15.780 1.00 0.00 O ATOM 0 H SER A 71 6.036 26.418 -14.906 1.00 0.00 H new ATOM 0 HA SER A 71 5.000 27.096 -17.287 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.439 29.355 -16.702 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.364 28.513 -15.167 1.00 0.00 H new ATOM 0 HG SER A 71 7.209 29.911 -15.312 1.00 0.00 H new ATOM 1076 N PHE A 72 6.631 27.706 -19.113 1.00 0.00 N ATOM 1077 CA PHE A 72 7.548 27.778 -20.244 1.00 0.00 C ATOM 1078 C PHE A 72 7.957 29.221 -20.522 1.00 0.00 C ATOM 1079 O PHE A 72 7.579 30.138 -19.791 1.00 0.00 O ATOM 1080 CB PHE A 72 6.902 27.170 -21.491 1.00 0.00 C ATOM 1081 CG PHE A 72 6.713 25.682 -21.403 1.00 0.00 C ATOM 1082 CD1 PHE A 72 5.647 25.146 -20.699 1.00 0.00 C ATOM 1083 CD2 PHE A 72 7.602 24.820 -22.024 1.00 0.00 C ATOM 1084 CE1 PHE A 72 5.470 23.778 -20.617 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.430 23.451 -21.946 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.364 22.929 -21.240 1.00 0.00 C ATOM 0 H PHE A 72 5.676 27.993 -19.326 1.00 0.00 H new ATOM 0 HA PHE A 72 8.442 27.208 -19.991 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.933 27.642 -21.656 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.520 27.399 -22.359 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.946 25.805 -20.208 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.439 25.222 -22.575 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.634 23.373 -20.066 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.129 22.790 -22.437 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.230 21.859 -21.175 1.00 0.00 H new ATOM 1096 N LYS A 73 8.732 29.417 -21.583 1.00 0.00 N ATOM 1097 CA LYS A 73 9.193 30.748 -21.960 1.00 0.00 C ATOM 1098 C LYS A 73 8.328 31.327 -23.075 1.00 0.00 C ATOM 1099 O LYS A 73 8.418 32.513 -23.390 1.00 0.00 O ATOM 1100 CB LYS A 73 10.655 30.695 -22.408 1.00 0.00 C ATOM 1101 CG LYS A 73 11.159 32.004 -22.991 1.00 0.00 C ATOM 1102 CD LYS A 73 10.933 33.164 -22.036 1.00 0.00 C ATOM 1103 CE LYS A 73 11.692 32.969 -20.733 1.00 0.00 C ATOM 1104 NZ LYS A 73 11.372 34.033 -19.741 1.00 0.00 N ATOM 0 H LYS A 73 9.055 28.670 -22.198 1.00 0.00 H new ATOM 0 HA LYS A 73 9.111 31.396 -21.087 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.278 30.422 -21.556 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.770 29.907 -23.152 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.222 31.918 -23.215 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.650 32.203 -23.934 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.252 34.093 -22.508 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.868 33.262 -21.827 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.447 31.994 -20.312 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.763 32.969 -20.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.909 33.865 -18.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.630 34.961 -20.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.354 34.017 -19.531 1.00 0.00 H new ATOM 1118 N ALA A 74 7.492 30.482 -23.669 1.00 0.00 N ATOM 1119 CA ALA A 74 6.609 30.912 -24.747 1.00 0.00 C ATOM 1120 C ALA A 74 5.424 29.964 -24.896 1.00 0.00 C ATOM 1121 O ALA A 74 5.373 28.911 -24.260 1.00 0.00 O ATOM 1122 CB ALA A 74 7.381 31.006 -26.055 1.00 0.00 C ATOM 0 H ALA A 74 7.407 29.496 -23.422 1.00 0.00 H new ATOM 0 HA ALA A 74 6.221 31.899 -24.495 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.710 31.328 -26.851 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.191 31.728 -25.949 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.796 30.029 -26.303 1.00 0.00 H new ATOM 1128 N LYS A 75 4.471 30.344 -25.741 1.00 0.00 N ATOM 1129 CA LYS A 75 3.286 29.528 -25.976 1.00 0.00 C ATOM 1130 C LYS A 75 3.652 28.229 -26.687 1.00 0.00 C ATOM 1131 O LYS A 75 3.386 27.138 -26.182 1.00 0.00 O ATOM 1132 CB LYS A 75 2.263 30.306 -26.806 1.00 0.00 C ATOM 1133 CG LYS A 75 1.353 31.194 -25.975 1.00 0.00 C ATOM 1134 CD LYS A 75 0.382 30.374 -25.142 1.00 0.00 C ATOM 1135 CE LYS A 75 -0.871 30.025 -25.931 1.00 0.00 C ATOM 1136 NZ LYS A 75 -1.619 28.895 -25.313 1.00 0.00 N ATOM 0 H LYS A 75 4.497 31.213 -26.275 1.00 0.00 H new ATOM 0 HA LYS A 75 2.848 29.281 -25.009 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.791 30.922 -27.534 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.652 29.600 -27.369 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.956 31.822 -25.319 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.796 31.862 -26.632 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.870 29.458 -24.808 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.106 30.932 -24.247 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.518 30.900 -25.990 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.596 29.763 -26.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.466 28.688 -25.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.010 28.053 -25.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.904 29.154 -24.347 1.00 0.00 H new ATOM 1150 N TYR A 76 4.263 28.354 -27.859 1.00 0.00 N ATOM 1151 CA TYR A 76 4.664 27.189 -28.640 1.00 0.00 C ATOM 1152 C TYR A 76 5.544 26.257 -27.814 1.00 0.00 C ATOM 1153 O TYR A 76 5.717 25.085 -28.151 1.00 0.00 O ATOM 1154 CB TYR A 76 5.409 27.627 -29.902 1.00 0.00 C ATOM 1155 CG TYR A 76 6.756 28.256 -29.622 1.00 0.00 C ATOM 1156 CD1 TYR A 76 6.853 29.573 -29.192 1.00 0.00 C ATOM 1157 CD2 TYR A 76 7.930 27.533 -29.790 1.00 0.00 C ATOM 1158 CE1 TYR A 76 8.081 30.152 -28.936 1.00 0.00 C ATOM 1159 CE2 TYR A 76 9.163 28.103 -29.535 1.00 0.00 C ATOM 1160 CZ TYR A 76 9.233 29.413 -29.108 1.00 0.00 C ATOM 1161 OH TYR A 76 10.458 29.985 -28.855 1.00 0.00 O ATOM 0 H TYR A 76 4.492 29.250 -28.290 1.00 0.00 H new ATOM 0 HA TYR A 76 3.763 26.648 -28.928 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.549 26.762 -30.550 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.792 28.339 -30.450 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.953 30.154 -29.055 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.878 26.508 -30.126 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.139 31.178 -28.603 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.066 27.526 -29.669 1.00 0.00 H new ATOM 0 HH TYR A 76 11.166 29.329 -29.024 1.00 0.00 H new ATOM 1171 N LYS A 77 6.098 26.785 -26.728 1.00 0.00 N ATOM 1172 CA LYS A 77 6.960 26.002 -25.850 1.00 0.00 C ATOM 1173 C LYS A 77 6.139 25.032 -25.006 1.00 0.00 C ATOM 1174 O LYS A 77 6.554 23.898 -24.764 1.00 0.00 O ATOM 1175 CB LYS A 77 7.770 26.926 -24.939 1.00 0.00 C ATOM 1176 CG LYS A 77 8.661 27.897 -25.695 1.00 0.00 C ATOM 1177 CD LYS A 77 9.504 27.184 -26.738 1.00 0.00 C ATOM 1178 CE LYS A 77 10.367 26.099 -26.111 1.00 0.00 C ATOM 1179 NZ LYS A 77 11.059 26.582 -24.884 1.00 0.00 N ATOM 0 H LYS A 77 5.965 27.753 -26.434 1.00 0.00 H new ATOM 0 HA LYS A 77 7.644 25.426 -26.474 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.085 27.491 -24.307 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.388 26.319 -24.277 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.046 28.655 -26.180 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.313 28.417 -24.993 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.854 26.742 -27.493 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.140 27.907 -27.249 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.746 25.239 -25.863 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.107 25.759 -26.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.946 26.054 -24.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.271 27.596 -24.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.445 26.434 -24.058 1.00 0.00 H new ATOM 1193 N LEU A 78 4.971 25.484 -24.561 1.00 0.00 N ATOM 1194 CA LEU A 78 4.090 24.655 -23.746 1.00 0.00 C ATOM 1195 C LEU A 78 3.227 23.753 -24.621 1.00 0.00 C ATOM 1196 O LEU A 78 3.036 22.574 -24.319 1.00 0.00 O ATOM 1197 CB LEU A 78 3.201 25.534 -22.866 1.00 0.00 C ATOM 1198 CG LEU A 78 1.988 24.846 -22.238 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.417 23.610 -21.463 1.00 0.00 C ATOM 1200 CD2 LEU A 78 1.237 25.812 -21.332 1.00 0.00 C ATOM 0 H LEU A 78 4.613 26.420 -24.751 1.00 0.00 H new ATOM 0 HA LEU A 78 4.711 24.025 -23.109 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.813 25.949 -22.065 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.848 26.374 -23.465 1.00 0.00 H new ATOM 0 HG LEU A 78 1.317 24.533 -23.038 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.541 23.134 -21.023 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.910 22.910 -22.138 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.108 23.899 -20.671 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.377 25.306 -20.894 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.900 26.156 -20.538 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.896 26.667 -21.915 1.00 0.00 H new ATOM 1212 N VAL A 79 2.708 24.313 -25.709 1.00 0.00 N ATOM 1213 CA VAL A 79 1.867 23.559 -26.631 1.00 0.00 C ATOM 1214 C VAL A 79 2.578 22.303 -27.121 1.00 0.00 C ATOM 1215 O VAL A 79 2.003 21.216 -27.131 1.00 0.00 O ATOM 1216 CB VAL A 79 1.460 24.413 -27.846 1.00 0.00 C ATOM 1217 CG1 VAL A 79 0.818 23.545 -28.918 1.00 0.00 C ATOM 1218 CG2 VAL A 79 0.520 25.531 -27.421 1.00 0.00 C ATOM 0 H VAL A 79 2.855 25.287 -25.974 1.00 0.00 H new ATOM 0 HA VAL A 79 0.970 23.274 -26.081 1.00 0.00 H new ATOM 0 HB VAL A 79 2.358 24.865 -28.267 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.537 24.166 -29.769 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.527 22.784 -29.243 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.071 23.063 -28.511 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.243 26.124 -28.292 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.377 25.102 -26.974 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.020 26.169 -26.692 1.00 0.00 H new ATOM 1228 N ASN A 80 3.834 22.461 -27.527 1.00 0.00 N ATOM 1229 CA ASN A 80 4.625 21.339 -28.019 1.00 0.00 C ATOM 1230 C ASN A 80 4.698 20.227 -26.977 1.00 0.00 C ATOM 1231 O ASN A 80 4.668 19.043 -27.315 1.00 0.00 O ATOM 1232 CB ASN A 80 6.036 21.804 -28.384 1.00 0.00 C ATOM 1233 CG ASN A 80 6.981 21.769 -27.199 1.00 0.00 C ATOM 1234 OD1 ASN A 80 7.163 20.729 -26.567 1.00 0.00 O ATOM 1235 ND2 ASN A 80 7.589 22.910 -26.893 1.00 0.00 N ATOM 0 H ASN A 80 4.325 23.355 -27.525 1.00 0.00 H new ATOM 0 HA ASN A 80 4.137 20.946 -28.911 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.430 21.170 -29.178 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.990 22.819 -28.779 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.237 22.948 -26.106 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.408 23.748 -27.445 1.00 0.00 H new ATOM 1242 N HIS A 81 4.793 20.616 -25.710 1.00 0.00 N ATOM 1243 CA HIS A 81 4.869 19.651 -24.618 1.00 0.00 C ATOM 1244 C HIS A 81 3.603 18.802 -24.553 1.00 0.00 C ATOM 1245 O HIS A 81 3.671 17.578 -24.446 1.00 0.00 O ATOM 1246 CB HIS A 81 5.082 20.372 -23.287 1.00 0.00 C ATOM 1247 CG HIS A 81 4.401 19.708 -22.130 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.892 18.576 -21.516 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.260 20.025 -21.474 1.00 0.00 C ATOM 1250 CE1 HIS A 81 4.082 18.223 -20.534 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.084 19.087 -20.487 1.00 0.00 N ATOM 0 H HIS A 81 4.819 21.592 -25.414 1.00 0.00 H new ATOM 0 HA HIS A 81 5.717 18.993 -24.806 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.151 20.432 -23.083 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.716 21.395 -23.375 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.609 20.860 -21.687 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.213 17.373 -19.881 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.308 19.061 -19.825 1.00 0.00 H new ATOM 1259 N ILE A 82 2.451 19.461 -24.618 1.00 0.00 N ATOM 1260 CA ILE A 82 1.171 18.767 -24.568 1.00 0.00 C ATOM 1261 C ILE A 82 1.090 17.685 -25.639 1.00 0.00 C ATOM 1262 O ILE A 82 0.246 16.791 -25.570 1.00 0.00 O ATOM 1263 CB ILE A 82 -0.007 19.743 -24.749 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.216 21.006 -23.915 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -1.316 19.070 -24.364 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -1.032 21.843 -23.741 1.00 0.00 C ATOM 0 H ILE A 82 2.378 20.475 -24.705 1.00 0.00 H new ATOM 0 HA ILE A 82 1.101 18.306 -23.583 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.064 20.030 -25.799 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.593 20.721 -22.933 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.988 21.613 -24.389 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.139 19.772 -24.497 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.477 18.198 -24.998 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.271 18.757 -23.321 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.800 22.722 -23.140 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.398 22.158 -24.718 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.799 21.253 -23.240 1.00 0.00 H new ATOM 1278 N ARG A 83 1.974 17.771 -26.628 1.00 0.00 N ATOM 1279 CA ARG A 83 2.003 16.799 -27.714 1.00 0.00 C ATOM 1280 C ARG A 83 2.494 15.442 -27.217 1.00 0.00 C ATOM 1281 O ARG A 83 2.073 14.397 -27.712 1.00 0.00 O ATOM 1282 CB ARG A 83 2.902 17.295 -28.847 1.00 0.00 C ATOM 1283 CG ARG A 83 2.645 18.740 -29.241 1.00 0.00 C ATOM 1284 CD ARG A 83 1.294 18.901 -29.920 1.00 0.00 C ATOM 1285 NE ARG A 83 0.748 17.620 -30.362 1.00 0.00 N ATOM 1286 CZ ARG A 83 1.082 17.035 -31.507 1.00 0.00 C ATOM 1287 NH1 ARG A 83 1.956 17.613 -32.320 1.00 0.00 N ATOM 1288 NH2 ARG A 83 0.543 15.870 -31.840 1.00 0.00 N ATOM 0 H ARG A 83 2.680 18.504 -26.699 1.00 0.00 H new ATOM 0 HA ARG A 83 0.987 16.682 -28.090 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.944 17.190 -28.545 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.757 16.658 -29.720 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.685 19.373 -28.354 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.433 19.081 -29.912 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.595 19.374 -29.230 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.396 19.567 -30.777 1.00 0.00 H new ATOM 0 HE ARG A 83 0.074 17.149 -29.759 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.373 18.509 -32.067 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.211 17.162 -33.199 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.129 15.422 -31.217 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.800 15.422 -32.719 1.00 0.00 H new ATOM 1302 N VAL A 84 3.390 15.467 -26.234 1.00 0.00 N ATOM 1303 CA VAL A 84 3.939 14.240 -25.669 1.00 0.00 C ATOM 1304 C VAL A 84 2.901 13.514 -24.821 1.00 0.00 C ATOM 1305 O VAL A 84 3.018 12.313 -24.572 1.00 0.00 O ATOM 1306 CB VAL A 84 5.182 14.527 -24.806 1.00 0.00 C ATOM 1307 CG1 VAL A 84 6.139 15.455 -25.539 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.774 15.119 -23.466 1.00 0.00 C ATOM 0 H VAL A 84 3.750 16.323 -25.813 1.00 0.00 H new ATOM 0 HA VAL A 84 4.227 13.606 -26.507 1.00 0.00 H new ATOM 0 HB VAL A 84 5.699 13.586 -24.620 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.011 15.646 -24.914 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.456 14.988 -26.471 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.636 16.397 -25.758 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.664 15.316 -22.869 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.234 16.051 -23.630 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.131 14.415 -22.938 1.00 0.00 H new ATOM 1318 N HIS A 85 1.886 14.249 -24.379 1.00 0.00 N ATOM 1319 CA HIS A 85 0.825 13.674 -23.559 1.00 0.00 C ATOM 1320 C HIS A 85 -0.061 12.748 -24.387 1.00 0.00 C ATOM 1321 O HIS A 85 -0.880 12.006 -23.845 1.00 0.00 O ATOM 1322 CB HIS A 85 -0.020 14.782 -22.931 1.00 0.00 C ATOM 1323 CG HIS A 85 0.604 15.396 -21.716 1.00 0.00 C ATOM 1324 ND1 HIS A 85 1.541 14.745 -20.941 1.00 0.00 N ATOM 1325 CD2 HIS A 85 0.421 16.609 -21.144 1.00 0.00 C ATOM 1326 CE1 HIS A 85 1.907 15.531 -19.944 1.00 0.00 C ATOM 1327 NE2 HIS A 85 1.242 16.668 -20.044 1.00 0.00 N ATOM 0 H HIS A 85 1.775 15.244 -24.575 1.00 0.00 H new ATOM 0 HA HIS A 85 1.290 13.088 -22.766 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.193 15.561 -23.674 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -0.995 14.376 -22.663 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.246 17.386 -21.488 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.627 15.286 -19.178 1.00 0.00 H new ATOM 0 HE2 HIS A 85 1.325 17.461 -19.408 1.00 0.00 H new ATOM 1335 N THR A 86 0.108 12.798 -25.705 1.00 0.00 N ATOM 1336 CA THR A 86 -0.678 11.967 -26.608 1.00 0.00 C ATOM 1337 C THR A 86 0.142 10.790 -27.125 1.00 0.00 C ATOM 1338 O THR A 86 -0.201 9.632 -26.890 1.00 0.00 O ATOM 1339 CB THR A 86 -1.201 12.779 -27.808 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.128 13.063 -28.713 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.837 14.081 -27.344 1.00 0.00 C ATOM 0 H THR A 86 0.782 13.405 -26.170 1.00 0.00 H new ATOM 0 HA THR A 86 -1.526 11.593 -26.035 1.00 0.00 H new ATOM 0 HB THR A 86 -1.958 12.184 -28.318 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.556 13.592 -28.253 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.199 14.637 -28.209 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.672 13.861 -26.678 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.096 14.678 -26.812 1.00 0.00 H new ATOM 1407 N PHE A 91 5.378 10.742 -38.985 1.00 0.00 N ATOM 1408 CA PHE A 91 6.113 9.634 -39.583 1.00 0.00 C ATOM 1409 C PHE A 91 7.366 9.312 -38.773 1.00 0.00 C ATOM 1410 O PHE A 91 8.059 10.200 -38.276 1.00 0.00 O ATOM 1411 CB PHE A 91 6.497 9.969 -41.026 1.00 0.00 C ATOM 1412 CG PHE A 91 6.539 11.443 -41.308 1.00 0.00 C ATOM 1413 CD1 PHE A 91 7.382 12.276 -40.591 1.00 0.00 C ATOM 1414 CD2 PHE A 91 5.735 11.997 -42.292 1.00 0.00 C ATOM 1415 CE1 PHE A 91 7.422 13.633 -40.848 1.00 0.00 C ATOM 1416 CE2 PHE A 91 5.770 13.353 -42.554 1.00 0.00 C ATOM 1417 CZ PHE A 91 6.616 14.173 -41.832 1.00 0.00 C ATOM 0 HA PHE A 91 5.465 8.757 -39.581 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.474 9.538 -41.243 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.783 9.498 -41.702 1.00 0.00 H new ATOM 0 HD1 PHE A 91 8.016 11.860 -39.822 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.073 11.361 -42.861 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.083 14.271 -40.280 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.137 13.772 -43.322 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.647 15.233 -42.036 1.00 0.00 H new ATOM 1427 N PRO A 92 7.663 8.011 -38.635 1.00 0.00 N ATOM 1428 CA PRO A 92 8.832 7.541 -37.887 1.00 0.00 C ATOM 1429 C PRO A 92 10.143 7.866 -38.595 1.00 0.00 C ATOM 1430 O PRO A 92 10.160 8.595 -39.587 1.00 0.00 O ATOM 1431 CB PRO A 92 8.623 6.027 -37.817 1.00 0.00 C ATOM 1432 CG PRO A 92 7.773 5.707 -38.998 1.00 0.00 C ATOM 1433 CD PRO A 92 6.880 6.900 -39.201 1.00 0.00 C ATOM 0 HA PRO A 92 8.911 8.020 -36.911 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.573 5.494 -37.857 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.134 5.737 -36.887 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.385 5.523 -39.881 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.186 4.805 -38.823 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.658 7.061 -40.256 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.925 6.779 -38.689 1.00 0.00 H new ATOM 1441 N CYS A 93 11.239 7.321 -38.079 1.00 0.00 N ATOM 1442 CA CYS A 93 12.556 7.553 -38.661 1.00 0.00 C ATOM 1443 C CYS A 93 12.875 6.501 -39.720 1.00 0.00 C ATOM 1444 O CYS A 93 12.640 5.307 -39.534 1.00 0.00 O ATOM 1445 CB CYS A 93 13.629 7.537 -37.571 1.00 0.00 C ATOM 1446 SG CYS A 93 15.320 7.819 -38.188 1.00 0.00 S ATOM 0 H CYS A 93 11.242 6.715 -37.258 1.00 0.00 H new ATOM 0 HA CYS A 93 12.547 8.533 -39.138 1.00 0.00 H new ATOM 0 HB2 CYS A 93 13.392 8.301 -36.831 1.00 0.00 H new ATOM 0 HB3 CYS A 93 13.596 6.576 -37.058 1.00 0.00 H new ATOM 0 HG CYS A 93 15.906 8.716 -37.452 1.00 0.00 H new ATOM 1451 N PRO A 94 13.423 6.954 -40.857 1.00 0.00 N ATOM 1452 CA PRO A 94 13.787 6.068 -41.967 1.00 0.00 C ATOM 1453 C PRO A 94 14.979 5.178 -41.632 1.00 0.00 C ATOM 1454 O PRO A 94 15.445 4.406 -42.470 1.00 0.00 O ATOM 1455 CB PRO A 94 14.147 7.041 -43.093 1.00 0.00 C ATOM 1456 CG PRO A 94 14.563 8.290 -42.396 1.00 0.00 C ATOM 1457 CD PRO A 94 13.731 8.364 -41.147 1.00 0.00 C ATOM 0 HA PRO A 94 12.981 5.380 -42.220 1.00 0.00 H new ATOM 0 HB2 PRO A 94 14.952 6.647 -43.714 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.295 7.219 -43.750 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.626 8.267 -42.156 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.397 9.163 -43.027 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.277 8.833 -40.328 1.00 0.00 H new ATOM 0 HD3 PRO A 94 12.825 8.949 -41.302 1.00 0.00 H new ATOM 1465 N PHE A 95 15.468 5.291 -40.401 1.00 0.00 N ATOM 1466 CA PHE A 95 16.606 4.496 -39.956 1.00 0.00 C ATOM 1467 C PHE A 95 16.140 3.232 -39.238 1.00 0.00 C ATOM 1468 O PHE A 95 15.253 3.264 -38.385 1.00 0.00 O ATOM 1469 CB PHE A 95 17.501 5.322 -39.029 1.00 0.00 C ATOM 1470 CG PHE A 95 18.929 4.859 -39.005 1.00 0.00 C ATOM 1471 CD1 PHE A 95 19.274 3.665 -38.393 1.00 0.00 C ATOM 1472 CD2 PHE A 95 19.927 5.618 -39.596 1.00 0.00 C ATOM 1473 CE1 PHE A 95 20.588 3.237 -38.369 1.00 0.00 C ATOM 1474 CE2 PHE A 95 21.243 5.195 -39.575 1.00 0.00 C ATOM 1475 CZ PHE A 95 21.574 4.002 -38.962 1.00 0.00 C ATOM 0 H PHE A 95 15.094 5.925 -39.695 1.00 0.00 H new ATOM 0 HA PHE A 95 17.178 4.203 -40.836 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.471 6.365 -39.343 1.00 0.00 H new ATOM 0 HB3 PHE A 95 17.098 5.282 -38.017 1.00 0.00 H new ATOM 0 HD1 PHE A 95 18.507 3.062 -37.929 1.00 0.00 H new ATOM 0 HD2 PHE A 95 19.674 6.550 -40.078 1.00 0.00 H new ATOM 0 HE1 PHE A 95 20.844 2.305 -37.887 1.00 0.00 H new ATOM 0 HE2 PHE A 95 22.012 5.797 -40.037 1.00 0.00 H new ATOM 0 HZ PHE A 95 22.601 3.668 -38.946 1.00 0.00 H new ATOM 1485 N PRO A 96 16.751 2.092 -39.591 1.00 0.00 N ATOM 1486 CA PRO A 96 16.415 0.796 -38.993 1.00 0.00 C ATOM 1487 C PRO A 96 16.858 0.697 -37.537 1.00 0.00 C ATOM 1488 O PRO A 96 16.058 0.390 -36.655 1.00 0.00 O ATOM 1489 CB PRO A 96 17.189 -0.204 -39.857 1.00 0.00 C ATOM 1490 CG PRO A 96 18.329 0.578 -40.412 1.00 0.00 C ATOM 1491 CD PRO A 96 17.817 1.980 -40.600 1.00 0.00 C ATOM 0 HA PRO A 96 15.339 0.622 -38.975 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.540 -1.050 -39.266 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.562 -0.609 -40.652 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.181 0.562 -39.732 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.668 0.156 -41.358 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.602 2.719 -40.439 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.434 2.136 -41.608 1.00 0.00 H new ATOM 1499 N GLY A 97 18.138 0.960 -37.293 1.00 0.00 N ATOM 1500 CA GLY A 97 18.664 0.895 -35.942 1.00 0.00 C ATOM 1501 C GLY A 97 18.518 2.208 -35.200 1.00 0.00 C ATOM 1502 O GLY A 97 19.462 2.682 -34.567 1.00 0.00 O ATOM 0 H GLY A 97 18.820 1.217 -38.007 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.146 0.110 -35.391 1.00 0.00 H new ATOM 0 HA3 GLY A 97 19.717 0.617 -35.978 1.00 0.00 H new ATOM 1506 N CYS A 98 17.330 2.800 -35.276 1.00 0.00 N ATOM 1507 CA CYS A 98 17.062 4.067 -34.608 1.00 0.00 C ATOM 1508 C CYS A 98 15.698 4.045 -33.925 1.00 0.00 C ATOM 1509 O CYS A 98 15.570 4.411 -32.757 1.00 0.00 O ATOM 1510 CB CYS A 98 17.124 5.220 -35.612 1.00 0.00 C ATOM 1511 SG CYS A 98 17.220 6.870 -34.845 1.00 0.00 S ATOM 0 H CYS A 98 16.537 2.421 -35.794 1.00 0.00 H new ATOM 0 HA CYS A 98 17.827 4.216 -33.846 1.00 0.00 H new ATOM 0 HB2 CYS A 98 17.992 5.080 -36.257 1.00 0.00 H new ATOM 0 HB3 CYS A 98 16.242 5.179 -36.251 1.00 0.00 H new ATOM 0 HG CYS A 98 17.486 7.758 -35.757 1.00 0.00 H new ATOM 1516 N GLY A 99 14.680 3.612 -34.663 1.00 0.00 N ATOM 1517 CA GLY A 99 13.339 3.549 -34.113 1.00 0.00 C ATOM 1518 C GLY A 99 12.915 4.854 -33.467 1.00 0.00 C ATOM 1519 O GLY A 99 12.110 4.862 -32.536 1.00 0.00 O ATOM 0 H GLY A 99 14.761 3.304 -35.632 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.636 3.295 -34.906 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.290 2.749 -33.375 1.00 0.00 H new ATOM 1523 N LYS A 100 13.459 5.960 -33.961 1.00 0.00 N ATOM 1524 CA LYS A 100 13.135 7.278 -33.427 1.00 0.00 C ATOM 1525 C LYS A 100 12.032 7.941 -34.247 1.00 0.00 C ATOM 1526 O LYS A 100 11.866 7.649 -35.431 1.00 0.00 O ATOM 1527 CB LYS A 100 14.380 8.167 -33.414 1.00 0.00 C ATOM 1528 CG LYS A 100 14.080 9.629 -33.133 1.00 0.00 C ATOM 1529 CD LYS A 100 13.751 9.860 -31.668 1.00 0.00 C ATOM 1530 CE LYS A 100 14.413 11.123 -31.140 1.00 0.00 C ATOM 1531 NZ LYS A 100 13.999 11.423 -29.741 1.00 0.00 N ATOM 0 H LYS A 100 14.127 5.970 -34.731 1.00 0.00 H new ATOM 0 HA LYS A 100 12.778 7.150 -32.405 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.074 7.796 -32.660 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.884 8.087 -34.377 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.939 10.238 -33.414 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.243 9.955 -33.750 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.671 9.935 -31.544 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.080 9.003 -31.081 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.496 11.010 -31.182 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.155 11.964 -31.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.472 12.291 -29.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.968 11.556 -29.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.268 10.631 -29.122 1.00 0.00 H new ATOM 1545 N ILE A 101 11.283 8.834 -33.609 1.00 0.00 N ATOM 1546 CA ILE A 101 10.199 9.539 -34.281 1.00 0.00 C ATOM 1547 C ILE A 101 10.091 10.978 -33.789 1.00 0.00 C ATOM 1548 O ILE A 101 10.578 11.315 -32.709 1.00 0.00 O ATOM 1549 CB ILE A 101 8.848 8.832 -34.064 1.00 0.00 C ATOM 1550 CG1 ILE A 101 9.037 7.314 -34.058 1.00 0.00 C ATOM 1551 CG2 ILE A 101 7.856 9.243 -35.142 1.00 0.00 C ATOM 1552 CD1 ILE A 101 7.743 6.544 -33.915 1.00 0.00 C ATOM 0 H ILE A 101 11.407 9.086 -32.628 1.00 0.00 H new ATOM 0 HA ILE A 101 10.434 9.538 -35.345 1.00 0.00 H new ATOM 0 HB ILE A 101 8.449 9.133 -33.096 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.529 7.014 -34.983 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.704 7.042 -33.240 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.906 8.735 -34.975 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.703 10.321 -35.103 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.248 8.967 -36.121 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.954 5.475 -33.919 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.260 6.816 -32.976 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.082 6.786 -34.747 1.00 0.00 H new ATOM 1564 N PHE A 102 9.449 11.824 -34.587 1.00 0.00 N ATOM 1565 CA PHE A 102 9.276 13.228 -34.233 1.00 0.00 C ATOM 1566 C PHE A 102 7.914 13.742 -34.693 1.00 0.00 C ATOM 1567 O PHE A 102 7.514 13.532 -35.837 1.00 0.00 O ATOM 1568 CB PHE A 102 10.389 14.074 -34.855 1.00 0.00 C ATOM 1569 CG PHE A 102 11.741 13.424 -34.793 1.00 0.00 C ATOM 1570 CD1 PHE A 102 11.982 12.230 -35.455 1.00 0.00 C ATOM 1571 CD2 PHE A 102 12.772 14.006 -34.074 1.00 0.00 C ATOM 1572 CE1 PHE A 102 13.225 11.630 -35.400 1.00 0.00 C ATOM 1573 CE2 PHE A 102 14.018 13.410 -34.016 1.00 0.00 C ATOM 1574 CZ PHE A 102 14.244 12.220 -34.679 1.00 0.00 C ATOM 0 H PHE A 102 9.040 11.562 -35.484 1.00 0.00 H new ATOM 0 HA PHE A 102 9.329 13.312 -33.147 1.00 0.00 H new ATOM 0 HB2 PHE A 102 10.140 14.278 -35.896 1.00 0.00 H new ATOM 0 HB3 PHE A 102 10.433 15.035 -34.343 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.189 11.764 -36.020 1.00 0.00 H new ATOM 0 HD2 PHE A 102 12.600 14.936 -33.553 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.400 10.700 -35.921 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.814 13.875 -33.453 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.216 11.752 -34.634 1.00 0.00 H new ATOM 1584 N ALA A 103 7.207 14.414 -33.791 1.00 0.00 N ATOM 1585 CA ALA A 103 5.891 14.959 -34.103 1.00 0.00 C ATOM 1586 C ALA A 103 5.999 16.134 -35.069 1.00 0.00 C ATOM 1587 O ALA A 103 4.994 16.607 -35.599 1.00 0.00 O ATOM 1588 CB ALA A 103 5.180 15.385 -32.827 1.00 0.00 C ATOM 0 H ALA A 103 7.523 14.594 -32.838 1.00 0.00 H new ATOM 0 HA ALA A 103 5.306 14.177 -34.587 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.199 15.790 -33.075 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.061 14.522 -32.171 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.770 16.148 -32.319 1.00 0.00 H new ATOM 1594 N ARG A 104 7.223 16.600 -35.292 1.00 0.00 N ATOM 1595 CA ARG A 104 7.461 17.722 -36.193 1.00 0.00 C ATOM 1596 C ARG A 104 8.172 17.259 -37.461 1.00 0.00 C ATOM 1597 O ARG A 104 9.157 16.523 -37.399 1.00 0.00 O ATOM 1598 CB ARG A 104 8.292 18.798 -35.493 1.00 0.00 C ATOM 1599 CG ARG A 104 7.455 19.869 -34.813 1.00 0.00 C ATOM 1600 CD ARG A 104 8.263 20.634 -33.777 1.00 0.00 C ATOM 1601 NE ARG A 104 7.466 21.661 -33.111 1.00 0.00 N ATOM 1602 CZ ARG A 104 7.992 22.653 -32.401 1.00 0.00 C ATOM 1603 NH1 ARG A 104 9.307 22.752 -32.266 1.00 0.00 N ATOM 1604 NH2 ARG A 104 7.202 23.550 -31.825 1.00 0.00 N ATOM 0 H ARG A 104 8.065 16.218 -34.862 1.00 0.00 H new ATOM 0 HA ARG A 104 6.495 18.143 -36.472 1.00 0.00 H new ATOM 0 HB2 ARG A 104 8.933 18.324 -34.750 1.00 0.00 H new ATOM 0 HB3 ARG A 104 8.948 19.271 -36.224 1.00 0.00 H new ATOM 0 HG2 ARG A 104 7.072 20.562 -35.562 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.591 19.408 -34.334 1.00 0.00 H new ATOM 0 HD2 ARG A 104 8.651 19.938 -33.034 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.123 21.098 -34.259 1.00 0.00 H new ATOM 0 HE ARG A 104 6.451 21.614 -33.196 1.00 0.00 H new ATOM 0 HH11 ARG A 104 9.918 22.065 -32.708 1.00 0.00 H new ATOM 0 HH12 ARG A 104 9.708 23.515 -31.720 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.190 23.478 -31.927 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.607 24.311 -31.280 1.00 0.00 H new ATOM 1618 N SER A 105 7.666 17.695 -38.610 1.00 0.00 N ATOM 1619 CA SER A 105 8.250 17.322 -39.893 1.00 0.00 C ATOM 1620 C SER A 105 9.630 17.950 -40.065 1.00 0.00 C ATOM 1621 O SER A 105 10.529 17.346 -40.649 1.00 0.00 O ATOM 1622 CB SER A 105 7.334 17.755 -41.040 1.00 0.00 C ATOM 1623 OG SER A 105 7.298 19.167 -41.158 1.00 0.00 O ATOM 0 H SER A 105 6.853 18.307 -38.679 1.00 0.00 H new ATOM 0 HA SER A 105 8.358 16.238 -39.913 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.685 17.318 -41.975 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.327 17.375 -40.869 1.00 0.00 H new ATOM 0 HG SER A 105 6.708 19.418 -41.899 1.00 0.00 H new ATOM 1629 N GLU A 106 9.788 19.165 -39.551 1.00 0.00 N ATOM 1630 CA GLU A 106 11.058 19.875 -39.648 1.00 0.00 C ATOM 1631 C GLU A 106 12.067 19.327 -38.643 1.00 0.00 C ATOM 1632 O GLU A 106 13.274 19.500 -38.801 1.00 0.00 O ATOM 1633 CB GLU A 106 10.850 21.373 -39.413 1.00 0.00 C ATOM 1634 CG GLU A 106 12.138 22.131 -39.141 1.00 0.00 C ATOM 1635 CD GLU A 106 11.988 23.627 -39.340 1.00 0.00 C ATOM 1636 OE1 GLU A 106 10.900 24.159 -39.035 1.00 0.00 O ATOM 1637 OE2 GLU A 106 12.957 24.265 -39.801 1.00 0.00 O ATOM 0 H GLU A 106 9.053 19.678 -39.064 1.00 0.00 H new ATOM 0 HA GLU A 106 11.453 19.723 -40.652 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.362 21.805 -40.287 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.173 21.509 -38.570 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.462 21.935 -38.119 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.921 21.757 -39.800 1.00 0.00 H new ATOM 1644 N ASN A 107 11.560 18.665 -37.607 1.00 0.00 N ATOM 1645 CA ASN A 107 12.416 18.092 -36.574 1.00 0.00 C ATOM 1646 C ASN A 107 12.981 16.747 -37.020 1.00 0.00 C ATOM 1647 O ASN A 107 14.141 16.429 -36.754 1.00 0.00 O ATOM 1648 CB ASN A 107 11.633 17.922 -35.271 1.00 0.00 C ATOM 1649 CG ASN A 107 11.568 19.204 -34.464 1.00 0.00 C ATOM 1650 OD1 ASN A 107 11.806 20.293 -34.988 1.00 0.00 O ATOM 1651 ND2 ASN A 107 11.243 19.081 -33.182 1.00 0.00 N ATOM 0 H ASN A 107 10.562 18.512 -37.461 1.00 0.00 H new ATOM 0 HA ASN A 107 13.247 18.777 -36.404 1.00 0.00 H new ATOM 0 HB2 ASN A 107 10.621 17.588 -35.499 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.098 17.141 -34.670 1.00 0.00 H new ATOM 0 HD21 ASN A 107 11.182 19.909 -32.590 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.054 18.158 -32.790 1.00 0.00 H new ATOM 1658 N LEU A 108 12.154 15.961 -37.701 1.00 0.00 N ATOM 1659 CA LEU A 108 12.571 14.649 -38.185 1.00 0.00 C ATOM 1660 C LEU A 108 13.670 14.780 -39.235 1.00 0.00 C ATOM 1661 O LEU A 108 14.727 14.160 -39.123 1.00 0.00 O ATOM 1662 CB LEU A 108 11.375 13.897 -38.773 1.00 0.00 C ATOM 1663 CG LEU A 108 11.690 12.569 -39.462 1.00 0.00 C ATOM 1664 CD1 LEU A 108 12.646 11.743 -38.616 1.00 0.00 C ATOM 1665 CD2 LEU A 108 10.410 11.793 -39.734 1.00 0.00 C ATOM 0 H LEU A 108 11.192 16.209 -37.930 1.00 0.00 H new ATOM 0 HA LEU A 108 12.967 14.086 -37.340 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.661 13.707 -37.972 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.880 14.549 -39.493 1.00 0.00 H new ATOM 0 HG LEU A 108 12.172 12.782 -40.416 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.859 10.801 -39.122 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.574 12.295 -38.472 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.191 11.539 -37.647 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.653 10.851 -40.225 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.900 11.591 -38.792 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.758 12.381 -40.380 1.00 0.00 H new ATOM 1677 N LYS A 109 13.413 15.593 -40.254 1.00 0.00 N ATOM 1678 CA LYS A 109 14.381 15.810 -41.323 1.00 0.00 C ATOM 1679 C LYS A 109 15.718 16.280 -40.759 1.00 0.00 C ATOM 1680 O LYS A 109 16.771 15.741 -41.102 1.00 0.00 O ATOM 1681 CB LYS A 109 13.847 16.838 -42.322 1.00 0.00 C ATOM 1682 CG LYS A 109 14.303 18.258 -42.036 1.00 0.00 C ATOM 1683 CD LYS A 109 13.860 19.217 -43.128 1.00 0.00 C ATOM 1684 CE LYS A 109 12.396 19.602 -42.972 1.00 0.00 C ATOM 1685 NZ LYS A 109 11.767 19.934 -44.280 1.00 0.00 N ATOM 0 H LYS A 109 12.542 16.113 -40.362 1.00 0.00 H new ATOM 0 HA LYS A 109 14.537 14.861 -41.836 1.00 0.00 H new ATOM 0 HB2 LYS A 109 14.168 16.558 -43.325 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.757 16.807 -42.315 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.899 18.585 -41.078 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.389 18.282 -41.949 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.478 20.114 -43.099 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.014 18.756 -44.103 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.852 18.780 -42.506 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.315 20.458 -42.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.770 20.191 -44.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.270 20.735 -44.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.821 19.109 -44.911 1.00 0.00 H new ATOM 1699 N ILE A 110 15.669 17.286 -39.893 1.00 0.00 N ATOM 1700 CA ILE A 110 16.876 17.826 -39.280 1.00 0.00 C ATOM 1701 C ILE A 110 17.677 16.730 -38.584 1.00 0.00 C ATOM 1702 O ILE A 110 18.907 16.768 -38.556 1.00 0.00 O ATOM 1703 CB ILE A 110 16.544 18.930 -38.259 1.00 0.00 C ATOM 1704 CG1 ILE A 110 16.002 20.170 -38.974 1.00 0.00 C ATOM 1705 CG2 ILE A 110 17.776 19.282 -37.439 1.00 0.00 C ATOM 1706 CD1 ILE A 110 15.364 21.175 -38.041 1.00 0.00 C ATOM 0 H ILE A 110 14.806 17.744 -39.600 1.00 0.00 H new ATOM 0 HA ILE A 110 17.473 18.255 -40.085 1.00 0.00 H new ATOM 0 HB ILE A 110 15.775 18.558 -37.582 1.00 0.00 H new ATOM 0 HG12 ILE A 110 16.816 20.653 -39.514 1.00 0.00 H new ATOM 0 HG13 ILE A 110 15.268 19.859 -39.717 1.00 0.00 H new ATOM 0 HG21 ILE A 110 17.525 20.064 -36.722 1.00 0.00 H new ATOM 0 HG22 ILE A 110 18.122 18.397 -36.905 1.00 0.00 H new ATOM 0 HG23 ILE A 110 18.565 19.638 -38.102 1.00 0.00 H new ATOM 0 HD11 ILE A 110 15.003 22.027 -38.616 1.00 0.00 H new ATOM 0 HD12 ILE A 110 14.528 20.708 -37.520 1.00 0.00 H new ATOM 0 HD13 ILE A 110 16.101 21.515 -37.313 1.00 0.00 H new ATOM 1718 N HIS A 111 16.970 15.753 -38.025 1.00 0.00 N ATOM 1719 CA HIS A 111 17.615 14.644 -37.332 1.00 0.00 C ATOM 1720 C HIS A 111 18.190 13.640 -38.327 1.00 0.00 C ATOM 1721 O HIS A 111 19.373 13.305 -38.274 1.00 0.00 O ATOM 1722 CB HIS A 111 16.620 13.947 -36.404 1.00 0.00 C ATOM 1723 CG HIS A 111 16.904 12.489 -36.207 1.00 0.00 C ATOM 1724 ND1 HIS A 111 17.746 12.013 -35.224 1.00 0.00 N ATOM 1725 CD2 HIS A 111 16.451 11.401 -36.872 1.00 0.00 C ATOM 1726 CE1 HIS A 111 17.800 10.695 -35.295 1.00 0.00 C ATOM 1727 NE2 HIS A 111 17.023 10.298 -36.286 1.00 0.00 N ATOM 0 H HIS A 111 15.951 15.707 -38.038 1.00 0.00 H new ATOM 0 HA HIS A 111 18.434 15.048 -36.737 1.00 0.00 H new ATOM 0 HB2 HIS A 111 16.630 14.445 -35.434 1.00 0.00 H new ATOM 0 HB3 HIS A 111 15.615 14.061 -36.811 1.00 0.00 H new ATOM 0 HD1 HIS A 111 18.248 12.588 -34.548 1.00 0.00 H new ATOM 0 HD2 HIS A 111 15.767 11.400 -37.708 1.00 0.00 H new ATOM 0 HE1 HIS A 111 18.381 10.051 -34.651 1.00 0.00 H new ATOM 1735 N LYS A 112 17.344 13.164 -39.234 1.00 0.00 N ATOM 1736 CA LYS A 112 17.766 12.199 -40.243 1.00 0.00 C ATOM 1737 C LYS A 112 19.086 12.621 -40.881 1.00 0.00 C ATOM 1738 O LYS A 112 19.868 11.781 -41.324 1.00 0.00 O ATOM 1739 CB LYS A 112 16.690 12.054 -41.321 1.00 0.00 C ATOM 1740 CG LYS A 112 15.445 11.327 -40.843 1.00 0.00 C ATOM 1741 CD LYS A 112 14.185 11.918 -41.453 1.00 0.00 C ATOM 1742 CE LYS A 112 14.257 11.938 -42.972 1.00 0.00 C ATOM 1743 NZ LYS A 112 13.548 13.115 -43.546 1.00 0.00 N ATOM 0 H LYS A 112 16.361 13.431 -39.291 1.00 0.00 H new ATOM 0 HA LYS A 112 17.911 11.237 -39.751 1.00 0.00 H new ATOM 0 HB2 LYS A 112 16.408 13.045 -41.677 1.00 0.00 H new ATOM 0 HB3 LYS A 112 17.110 11.517 -42.172 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.516 10.271 -41.105 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.385 11.383 -39.756 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.319 11.337 -41.136 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.041 12.932 -41.081 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.301 11.954 -43.286 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.819 11.022 -43.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.074 12.838 -44.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.840 13.459 -42.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.234 13.871 -43.744 1.00 0.00 H new ATOM 1757 N ARG A 113 19.326 13.928 -40.923 1.00 0.00 N ATOM 1758 CA ARG A 113 20.551 14.461 -41.506 1.00 0.00 C ATOM 1759 C ARG A 113 21.675 14.494 -40.474 1.00 0.00 C ATOM 1760 O ARG A 113 22.853 14.392 -40.819 1.00 0.00 O ATOM 1761 CB ARG A 113 20.309 15.867 -42.058 1.00 0.00 C ATOM 1762 CG ARG A 113 19.914 16.878 -40.995 1.00 0.00 C ATOM 1763 CD ARG A 113 20.148 18.304 -41.469 1.00 0.00 C ATOM 1764 NE ARG A 113 21.529 18.730 -41.261 1.00 0.00 N ATOM 1765 CZ ARG A 113 22.048 18.987 -40.066 1.00 0.00 C ATOM 1766 NH1 ARG A 113 21.303 18.861 -38.976 1.00 0.00 N ATOM 1767 NH2 ARG A 113 23.314 19.370 -39.958 1.00 0.00 N ATOM 0 H ARG A 113 18.688 14.637 -40.560 1.00 0.00 H new ATOM 0 HA ARG A 113 20.850 13.804 -42.323 1.00 0.00 H new ATOM 0 HB2 ARG A 113 21.214 16.213 -42.558 1.00 0.00 H new ATOM 0 HB3 ARG A 113 19.525 15.822 -42.814 1.00 0.00 H new ATOM 0 HG2 ARG A 113 18.863 16.746 -40.739 1.00 0.00 H new ATOM 0 HG3 ARG A 113 20.489 16.696 -40.087 1.00 0.00 H new ATOM 0 HD2 ARG A 113 19.901 18.379 -42.528 1.00 0.00 H new ATOM 0 HD3 ARG A 113 19.477 18.978 -40.937 1.00 0.00 H new ATOM 0 HE ARG A 113 22.129 18.836 -42.079 1.00 0.00 H new ATOM 0 HH11 ARG A 113 20.330 18.566 -39.055 1.00 0.00 H new ATOM 0 HH12 ARG A 113 21.703 19.059 -38.059 1.00 0.00 H new ATOM 0 HH21 ARG A 113 23.890 19.468 -40.794 1.00 0.00 H new ATOM 0 HH22 ARG A 113 23.711 19.567 -39.039 1.00 0.00 H new ATOM 1884 N PHE A 121 28.084 0.440 -36.779 1.00 0.00 N ATOM 1885 CA PHE A 121 29.298 -0.310 -36.478 1.00 0.00 C ATOM 1886 C PHE A 121 30.534 0.437 -36.969 1.00 0.00 C ATOM 1887 O PHE A 121 30.781 0.531 -38.171 1.00 0.00 O ATOM 1888 CB PHE A 121 29.238 -1.697 -37.121 1.00 0.00 C ATOM 1889 CG PHE A 121 28.209 -2.600 -36.504 1.00 0.00 C ATOM 1890 CD1 PHE A 121 26.859 -2.394 -36.736 1.00 0.00 C ATOM 1891 CD2 PHE A 121 28.592 -3.656 -35.692 1.00 0.00 C ATOM 1892 CE1 PHE A 121 25.910 -3.223 -36.168 1.00 0.00 C ATOM 1893 CE2 PHE A 121 27.647 -4.489 -35.122 1.00 0.00 C ATOM 1894 CZ PHE A 121 26.304 -4.272 -35.362 1.00 0.00 C ATOM 0 HA PHE A 121 29.368 -0.421 -35.396 1.00 0.00 H new ATOM 0 HB2 PHE A 121 29.023 -1.587 -38.184 1.00 0.00 H new ATOM 0 HB3 PHE A 121 30.218 -2.168 -37.041 1.00 0.00 H new ATOM 0 HD1 PHE A 121 26.544 -1.576 -37.368 1.00 0.00 H new ATOM 0 HD2 PHE A 121 29.641 -3.830 -35.502 1.00 0.00 H new ATOM 0 HE1 PHE A 121 24.860 -3.050 -36.355 1.00 0.00 H new ATOM 0 HE2 PHE A 121 27.958 -5.308 -34.490 1.00 0.00 H new ATOM 0 HZ PHE A 121 25.564 -4.922 -34.920 1.00 0.00 H new ATOM 1904 N LYS A 122 31.308 0.969 -36.029 1.00 0.00 N ATOM 1905 CA LYS A 122 32.520 1.708 -36.363 1.00 0.00 C ATOM 1906 C LYS A 122 33.756 1.006 -35.808 1.00 0.00 C ATOM 1907 O LYS A 122 33.820 0.687 -34.621 1.00 0.00 O ATOM 1908 CB LYS A 122 32.440 3.134 -35.812 1.00 0.00 C ATOM 1909 CG LYS A 122 33.719 3.931 -36.002 1.00 0.00 C ATOM 1910 CD LYS A 122 33.502 5.409 -35.720 1.00 0.00 C ATOM 1911 CE LYS A 122 33.530 5.701 -34.227 1.00 0.00 C ATOM 1912 NZ LYS A 122 34.920 5.715 -33.691 1.00 0.00 N ATOM 0 H LYS A 122 31.117 0.902 -35.029 1.00 0.00 H new ATOM 0 HA LYS A 122 32.604 1.748 -37.449 1.00 0.00 H new ATOM 0 HB2 LYS A 122 31.619 3.658 -36.301 1.00 0.00 H new ATOM 0 HB3 LYS A 122 32.203 3.091 -34.749 1.00 0.00 H new ATOM 0 HG2 LYS A 122 34.493 3.543 -35.339 1.00 0.00 H new ATOM 0 HG3 LYS A 122 34.080 3.803 -37.023 1.00 0.00 H new ATOM 0 HD2 LYS A 122 34.274 5.993 -36.221 1.00 0.00 H new ATOM 0 HD3 LYS A 122 32.545 5.723 -36.136 1.00 0.00 H new ATOM 0 HE2 LYS A 122 33.057 6.665 -34.036 1.00 0.00 H new ATOM 0 HE3 LYS A 122 32.944 4.949 -33.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 34.907 6.033 -32.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 35.321 4.757 -33.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 35.503 6.365 -34.256 1.00 0.00 H new ATOM 1926 N CYS A 123 34.735 0.771 -36.675 1.00 0.00 N ATOM 1927 CA CYS A 123 35.970 0.108 -36.272 1.00 0.00 C ATOM 1928 C CYS A 123 36.379 0.529 -34.864 1.00 0.00 C ATOM 1929 O CYS A 123 36.658 1.700 -34.612 1.00 0.00 O ATOM 1930 CB CYS A 123 37.093 0.433 -37.259 1.00 0.00 C ATOM 1931 SG CYS A 123 38.651 -0.451 -36.929 1.00 0.00 S ATOM 0 H CYS A 123 34.697 1.030 -37.661 1.00 0.00 H new ATOM 0 HA CYS A 123 35.793 -0.968 -36.274 1.00 0.00 H new ATOM 0 HB2 CYS A 123 36.757 0.191 -38.267 1.00 0.00 H new ATOM 0 HB3 CYS A 123 37.284 1.506 -37.235 1.00 0.00 H new ATOM 0 HG CYS A 123 39.634 0.171 -37.509 1.00 0.00 H new ATOM 1936 N GLU A 124 36.411 -0.436 -33.950 1.00 0.00 N ATOM 1937 CA GLU A 124 36.785 -0.165 -32.567 1.00 0.00 C ATOM 1938 C GLU A 124 38.284 0.097 -32.450 1.00 0.00 C ATOM 1939 O GLU A 124 38.783 0.443 -31.379 1.00 0.00 O ATOM 1940 CB GLU A 124 36.391 -1.340 -31.669 1.00 0.00 C ATOM 1941 CG GLU A 124 34.962 -1.813 -31.878 1.00 0.00 C ATOM 1942 CD GLU A 124 34.367 -2.440 -30.633 1.00 0.00 C ATOM 1943 OE1 GLU A 124 34.758 -2.033 -29.519 1.00 0.00 O ATOM 1944 OE2 GLU A 124 33.510 -3.338 -30.771 1.00 0.00 O ATOM 0 H GLU A 124 36.183 -1.411 -34.142 1.00 0.00 H new ATOM 0 HA GLU A 124 36.251 0.728 -32.242 1.00 0.00 H new ATOM 0 HB2 GLU A 124 37.071 -2.172 -31.854 1.00 0.00 H new ATOM 0 HB3 GLU A 124 36.520 -1.049 -30.627 1.00 0.00 H new ATOM 0 HG2 GLU A 124 34.345 -0.969 -32.185 1.00 0.00 H new ATOM 0 HG3 GLU A 124 34.939 -2.538 -32.692 1.00 0.00 H new ATOM 1951 N PHE A 125 38.996 -0.069 -33.559 1.00 0.00 N ATOM 1952 CA PHE A 125 40.438 0.148 -33.582 1.00 0.00 C ATOM 1953 C PHE A 125 40.765 1.636 -33.499 1.00 0.00 C ATOM 1954 O PHE A 125 40.331 2.425 -34.338 1.00 0.00 O ATOM 1955 CB PHE A 125 41.045 -0.449 -34.854 1.00 0.00 C ATOM 1956 CG PHE A 125 42.463 -0.912 -34.680 1.00 0.00 C ATOM 1957 CD1 PHE A 125 42.738 -2.187 -34.214 1.00 0.00 C ATOM 1958 CD2 PHE A 125 43.522 -0.072 -34.984 1.00 0.00 C ATOM 1959 CE1 PHE A 125 44.042 -2.617 -34.054 1.00 0.00 C ATOM 1960 CE2 PHE A 125 44.828 -0.496 -34.826 1.00 0.00 C ATOM 1961 CZ PHE A 125 45.088 -1.769 -34.360 1.00 0.00 C ATOM 0 H PHE A 125 38.598 -0.353 -34.454 1.00 0.00 H new ATOM 0 HA PHE A 125 40.869 -0.350 -32.714 1.00 0.00 H new ATOM 0 HB2 PHE A 125 40.433 -1.291 -35.179 1.00 0.00 H new ATOM 0 HB3 PHE A 125 41.009 0.296 -35.649 1.00 0.00 H new ATOM 0 HD1 PHE A 125 41.923 -2.854 -33.973 1.00 0.00 H new ATOM 0 HD2 PHE A 125 43.325 0.925 -35.349 1.00 0.00 H new ATOM 0 HE1 PHE A 125 44.242 -3.614 -33.690 1.00 0.00 H new ATOM 0 HE2 PHE A 125 45.645 0.168 -35.067 1.00 0.00 H new ATOM 0 HZ PHE A 125 46.108 -2.101 -34.235 1.00 0.00 H new ATOM 1971 N GLU A 126 41.533 2.011 -32.480 1.00 0.00 N ATOM 1972 CA GLU A 126 41.917 3.404 -32.286 1.00 0.00 C ATOM 1973 C GLU A 126 42.743 3.909 -33.465 1.00 0.00 C ATOM 1974 O GLU A 126 43.408 3.133 -34.149 1.00 0.00 O ATOM 1975 CB GLU A 126 42.710 3.562 -30.988 1.00 0.00 C ATOM 1976 CG GLU A 126 44.152 3.990 -31.204 1.00 0.00 C ATOM 1977 CD GLU A 126 44.949 4.025 -29.914 1.00 0.00 C ATOM 1978 OE1 GLU A 126 44.550 3.340 -28.950 1.00 0.00 O ATOM 1979 OE2 GLU A 126 45.974 4.738 -29.871 1.00 0.00 O ATOM 0 H GLU A 126 41.901 1.370 -31.777 1.00 0.00 H new ATOM 0 HA GLU A 126 41.006 4.000 -32.221 1.00 0.00 H new ATOM 0 HB2 GLU A 126 42.213 4.297 -30.355 1.00 0.00 H new ATOM 0 HB3 GLU A 126 42.698 2.616 -30.447 1.00 0.00 H new ATOM 0 HG2 GLU A 126 44.630 3.304 -31.904 1.00 0.00 H new ATOM 0 HG3 GLU A 126 44.169 4.978 -31.664 1.00 0.00 H new ATOM 1986 N GLY A 127 42.696 5.218 -33.696 1.00 0.00 N ATOM 1987 CA GLY A 127 43.443 5.805 -34.793 1.00 0.00 C ATOM 1988 C GLY A 127 43.004 5.276 -36.143 1.00 0.00 C ATOM 1989 O GLY A 127 43.717 5.420 -37.137 1.00 0.00 O ATOM 0 H GLY A 127 42.154 5.882 -33.143 1.00 0.00 H new ATOM 0 HA2 GLY A 127 43.320 6.888 -34.773 1.00 0.00 H new ATOM 0 HA3 GLY A 127 44.505 5.602 -34.655 1.00 0.00 H new ATOM 1993 N CYS A 128 41.828 4.659 -36.181 1.00 0.00 N ATOM 1994 CA CYS A 128 41.295 4.104 -37.419 1.00 0.00 C ATOM 1995 C CYS A 128 39.940 4.721 -37.754 1.00 0.00 C ATOM 1996 O CYS A 128 39.135 4.996 -36.864 1.00 0.00 O ATOM 1997 CB CYS A 128 41.160 2.584 -37.304 1.00 0.00 C ATOM 1998 SG CYS A 128 41.334 1.700 -38.888 1.00 0.00 S ATOM 0 H CYS A 128 41.226 4.531 -35.368 1.00 0.00 H new ATOM 0 HA CYS A 128 41.991 4.342 -38.223 1.00 0.00 H new ATOM 0 HB2 CYS A 128 41.914 2.215 -36.609 1.00 0.00 H new ATOM 0 HB3 CYS A 128 40.187 2.348 -36.873 1.00 0.00 H new ATOM 0 HG CYS A 128 42.594 1.585 -39.184 1.00 0.00 H new ATOM 2003 N ASP A 129 39.696 4.937 -39.042 1.00 0.00 N ATOM 2004 CA ASP A 129 38.439 5.520 -39.495 1.00 0.00 C ATOM 2005 C ASP A 129 37.765 4.624 -40.529 1.00 0.00 C ATOM 2006 O ASP A 129 38.200 4.550 -41.678 1.00 0.00 O ATOM 2007 CB ASP A 129 38.681 6.910 -40.086 1.00 0.00 C ATOM 2008 CG ASP A 129 39.495 7.797 -39.165 1.00 0.00 C ATOM 2009 OD1 ASP A 129 39.090 7.969 -37.996 1.00 0.00 O ATOM 2010 OD2 ASP A 129 40.537 8.321 -39.613 1.00 0.00 O ATOM 0 H ASP A 129 40.353 4.717 -39.791 1.00 0.00 H new ATOM 0 HA ASP A 129 37.777 5.610 -38.633 1.00 0.00 H new ATOM 0 HB2 ASP A 129 39.198 6.811 -41.040 1.00 0.00 H new ATOM 0 HB3 ASP A 129 37.722 7.386 -40.291 1.00 0.00 H new ATOM 2015 N ARG A 130 36.702 3.944 -40.113 1.00 0.00 N ATOM 2016 CA ARG A 130 35.969 3.051 -41.003 1.00 0.00 C ATOM 2017 C ARG A 130 34.470 3.121 -40.729 1.00 0.00 C ATOM 2018 O ARG A 130 34.023 3.859 -39.851 1.00 0.00 O ATOM 2019 CB ARG A 130 36.463 1.613 -40.836 1.00 0.00 C ATOM 2020 CG ARG A 130 37.975 1.475 -40.912 1.00 0.00 C ATOM 2021 CD ARG A 130 38.499 1.848 -42.290 1.00 0.00 C ATOM 2022 NE ARG A 130 38.491 0.710 -43.205 1.00 0.00 N ATOM 2023 CZ ARG A 130 37.443 0.372 -43.949 1.00 0.00 C ATOM 2024 NH1 ARG A 130 36.325 1.082 -43.886 1.00 0.00 N ATOM 2025 NH2 ARG A 130 37.513 -0.677 -44.758 1.00 0.00 N ATOM 0 H ARG A 130 36.329 3.994 -39.165 1.00 0.00 H new ATOM 0 HA ARG A 130 36.148 3.373 -42.029 1.00 0.00 H new ATOM 0 HB2 ARG A 130 36.120 1.229 -39.875 1.00 0.00 H new ATOM 0 HB3 ARG A 130 36.011 0.991 -41.608 1.00 0.00 H new ATOM 0 HG2 ARG A 130 38.438 2.114 -40.160 1.00 0.00 H new ATOM 0 HG3 ARG A 130 38.260 0.449 -40.678 1.00 0.00 H new ATOM 0 HD2 ARG A 130 37.889 2.651 -42.705 1.00 0.00 H new ATOM 0 HD3 ARG A 130 39.515 2.233 -42.200 1.00 0.00 H new ATOM 0 HE ARG A 130 39.336 0.143 -43.277 1.00 0.00 H new ATOM 0 HH11 ARG A 130 36.268 1.890 -43.266 1.00 0.00 H new ATOM 0 HH12 ARG A 130 35.522 0.821 -44.458 1.00 0.00 H new ATOM 0 HH21 ARG A 130 38.372 -1.225 -44.809 1.00 0.00 H new ATOM 0 HH22 ARG A 130 36.708 -0.936 -45.329 1.00 0.00 H new ATOM 2039 N ARG A 131 33.699 2.349 -41.487 1.00 0.00 N ATOM 2040 CA ARG A 131 32.250 2.324 -41.328 1.00 0.00 C ATOM 2041 C ARG A 131 31.680 0.970 -41.742 1.00 0.00 C ATOM 2042 O ARG A 131 31.916 0.501 -42.856 1.00 0.00 O ATOM 2043 CB ARG A 131 31.605 3.436 -42.157 1.00 0.00 C ATOM 2044 CG ARG A 131 32.210 3.591 -43.543 1.00 0.00 C ATOM 2045 CD ARG A 131 31.888 4.952 -44.141 1.00 0.00 C ATOM 2046 NE ARG A 131 32.361 5.069 -45.518 1.00 0.00 N ATOM 2047 CZ ARG A 131 32.088 6.105 -46.303 1.00 0.00 C ATOM 2048 NH1 ARG A 131 31.349 7.109 -45.849 1.00 0.00 N ATOM 2049 NH2 ARG A 131 32.554 6.140 -47.545 1.00 0.00 N ATOM 0 H ARG A 131 34.054 1.732 -42.218 1.00 0.00 H new ATOM 0 HA ARG A 131 32.023 2.487 -40.274 1.00 0.00 H new ATOM 0 HB2 ARG A 131 30.539 3.232 -42.256 1.00 0.00 H new ATOM 0 HB3 ARG A 131 31.701 4.380 -41.620 1.00 0.00 H new ATOM 0 HG2 ARG A 131 33.291 3.464 -43.486 1.00 0.00 H new ATOM 0 HG3 ARG A 131 31.831 2.806 -44.197 1.00 0.00 H new ATOM 0 HD2 ARG A 131 30.811 5.115 -44.112 1.00 0.00 H new ATOM 0 HD3 ARG A 131 32.345 5.733 -43.533 1.00 0.00 H new ATOM 0 HE ARG A 131 32.932 4.314 -45.897 1.00 0.00 H new ATOM 0 HH11 ARG A 131 30.989 7.087 -44.895 1.00 0.00 H new ATOM 0 HH12 ARG A 131 31.141 7.903 -46.454 1.00 0.00 H new ATOM 0 HH21 ARG A 131 33.123 5.370 -47.898 1.00 0.00 H new ATOM 0 HH22 ARG A 131 32.343 6.936 -48.146 1.00 0.00 H new ATOM 2063 N PHE A 132 30.930 0.348 -40.839 1.00 0.00 N ATOM 2064 CA PHE A 132 30.328 -0.952 -41.110 1.00 0.00 C ATOM 2065 C PHE A 132 28.855 -0.964 -40.709 1.00 0.00 C ATOM 2066 O PHE A 132 28.396 -0.096 -39.967 1.00 0.00 O ATOM 2067 CB PHE A 132 31.081 -2.053 -40.360 1.00 0.00 C ATOM 2068 CG PHE A 132 32.570 -1.856 -40.344 1.00 0.00 C ATOM 2069 CD1 PHE A 132 33.311 -1.977 -41.509 1.00 0.00 C ATOM 2070 CD2 PHE A 132 33.229 -1.550 -39.165 1.00 0.00 C ATOM 2071 CE1 PHE A 132 34.681 -1.798 -41.497 1.00 0.00 C ATOM 2072 CE2 PHE A 132 34.599 -1.369 -39.146 1.00 0.00 C ATOM 2073 CZ PHE A 132 35.326 -1.492 -40.314 1.00 0.00 C ATOM 0 H PHE A 132 30.724 0.723 -39.913 1.00 0.00 H new ATOM 0 HA PHE A 132 30.396 -1.140 -42.182 1.00 0.00 H new ATOM 0 HB2 PHE A 132 30.717 -2.097 -39.333 1.00 0.00 H new ATOM 0 HB3 PHE A 132 30.855 -3.015 -40.820 1.00 0.00 H new ATOM 0 HD1 PHE A 132 32.812 -2.214 -42.437 1.00 0.00 H new ATOM 0 HD2 PHE A 132 32.665 -1.452 -38.249 1.00 0.00 H new ATOM 0 HE1 PHE A 132 35.247 -1.897 -42.411 1.00 0.00 H new ATOM 0 HE2 PHE A 132 35.100 -1.132 -38.219 1.00 0.00 H new ATOM 0 HZ PHE A 132 36.396 -1.349 -40.303 1.00 0.00 H new ATOM 2083 N ALA A 133 28.121 -1.953 -41.206 1.00 0.00 N ATOM 2084 CA ALA A 133 26.702 -2.080 -40.900 1.00 0.00 C ATOM 2085 C ALA A 133 26.417 -3.372 -40.141 1.00 0.00 C ATOM 2086 O ALA A 133 25.347 -3.536 -39.557 1.00 0.00 O ATOM 2087 CB ALA A 133 25.878 -2.024 -42.178 1.00 0.00 C ATOM 0 H ALA A 133 28.486 -2.679 -41.823 1.00 0.00 H new ATOM 0 HA ALA A 133 26.418 -1.244 -40.261 1.00 0.00 H new ATOM 0 HB1 ALA A 133 24.820 -2.120 -41.933 1.00 0.00 H new ATOM 0 HB2 ALA A 133 26.049 -1.072 -42.680 1.00 0.00 H new ATOM 0 HB3 ALA A 133 26.174 -2.840 -42.837 1.00 0.00 H new ATOM 2093 N ASN A 134 27.382 -4.286 -40.155 1.00 0.00 N ATOM 2094 CA ASN A 134 27.233 -5.564 -39.470 1.00 0.00 C ATOM 2095 C ASN A 134 28.523 -5.949 -38.750 1.00 0.00 C ATOM 2096 O ASN A 134 29.620 -5.724 -39.260 1.00 0.00 O ATOM 2097 CB ASN A 134 26.846 -6.659 -40.466 1.00 0.00 C ATOM 2098 CG ASN A 134 27.458 -6.438 -41.835 1.00 0.00 C ATOM 2099 OD1 ASN A 134 28.246 -7.254 -42.314 1.00 0.00 O ATOM 2100 ND2 ASN A 134 27.098 -5.329 -42.472 1.00 0.00 N ATOM 0 H ASN A 134 28.275 -4.165 -40.633 1.00 0.00 H new ATOM 0 HA ASN A 134 26.441 -5.460 -38.729 1.00 0.00 H new ATOM 0 HB2 ASN A 134 27.166 -7.627 -40.080 1.00 0.00 H new ATOM 0 HB3 ASN A 134 25.760 -6.695 -40.558 1.00 0.00 H new ATOM 0 HD21 ASN A 134 27.478 -5.126 -43.397 1.00 0.00 H new ATOM 0 HD22 ASN A 134 26.442 -4.681 -42.036 1.00 0.00 H new ATOM 2107 N SER A 135 28.381 -6.530 -37.563 1.00 0.00 N ATOM 2108 CA SER A 135 29.534 -6.943 -36.772 1.00 0.00 C ATOM 2109 C SER A 135 30.525 -7.728 -37.625 1.00 0.00 C ATOM 2110 O SER A 135 31.708 -7.394 -37.689 1.00 0.00 O ATOM 2111 CB SER A 135 29.085 -7.791 -35.581 1.00 0.00 C ATOM 2112 OG SER A 135 30.133 -8.631 -35.128 1.00 0.00 O ATOM 0 H SER A 135 27.479 -6.725 -37.128 1.00 0.00 H new ATOM 0 HA SER A 135 30.030 -6.045 -36.403 1.00 0.00 H new ATOM 0 HB2 SER A 135 28.760 -7.140 -34.769 1.00 0.00 H new ATOM 0 HB3 SER A 135 28.226 -8.398 -35.866 1.00 0.00 H new ATOM 0 HG SER A 135 29.821 -9.161 -34.365 1.00 0.00 H new ATOM 2118 N SER A 136 30.033 -8.775 -38.280 1.00 0.00 N ATOM 2119 CA SER A 136 30.875 -9.612 -39.127 1.00 0.00 C ATOM 2120 C SER A 136 31.843 -8.760 -39.942 1.00 0.00 C ATOM 2121 O SER A 136 33.056 -8.966 -39.900 1.00 0.00 O ATOM 2122 CB SER A 136 30.011 -10.459 -40.064 1.00 0.00 C ATOM 2123 OG SER A 136 29.252 -11.410 -39.337 1.00 0.00 O ATOM 0 H SER A 136 29.056 -9.064 -38.240 1.00 0.00 H new ATOM 0 HA SER A 136 31.454 -10.273 -38.481 1.00 0.00 H new ATOM 0 HB2 SER A 136 29.342 -9.812 -40.631 1.00 0.00 H new ATOM 0 HB3 SER A 136 30.647 -10.972 -40.786 1.00 0.00 H new ATOM 0 HG SER A 136 28.707 -11.937 -39.958 1.00 0.00 H new ATOM 2129 N ASP A 137 31.298 -7.802 -40.684 1.00 0.00 N ATOM 2130 CA ASP A 137 32.112 -6.917 -41.509 1.00 0.00 C ATOM 2131 C ASP A 137 33.196 -6.241 -40.674 1.00 0.00 C ATOM 2132 O ASP A 137 34.377 -6.288 -41.019 1.00 0.00 O ATOM 2133 CB ASP A 137 31.234 -5.859 -42.179 1.00 0.00 C ATOM 2134 CG ASP A 137 30.622 -6.352 -43.475 1.00 0.00 C ATOM 2135 OD1 ASP A 137 31.241 -7.213 -44.135 1.00 0.00 O ATOM 2136 OD2 ASP A 137 29.522 -5.878 -43.830 1.00 0.00 O ATOM 0 H ASP A 137 30.296 -7.619 -40.731 1.00 0.00 H new ATOM 0 HA ASP A 137 32.594 -7.519 -42.279 1.00 0.00 H new ATOM 0 HB2 ASP A 137 30.439 -5.564 -41.494 1.00 0.00 H new ATOM 0 HB3 ASP A 137 31.830 -4.969 -42.378 1.00 0.00 H new ATOM 2141 N ARG A 138 32.786 -5.614 -39.577 1.00 0.00 N ATOM 2142 CA ARG A 138 33.722 -4.927 -38.695 1.00 0.00 C ATOM 2143 C ARG A 138 34.838 -5.867 -38.248 1.00 0.00 C ATOM 2144 O ARG A 138 36.009 -5.487 -38.217 1.00 0.00 O ATOM 2145 CB ARG A 138 32.989 -4.370 -37.473 1.00 0.00 C ATOM 2146 CG ARG A 138 33.868 -4.250 -36.239 1.00 0.00 C ATOM 2147 CD ARG A 138 33.286 -3.268 -35.234 1.00 0.00 C ATOM 2148 NE ARG A 138 32.075 -3.784 -34.602 1.00 0.00 N ATOM 2149 CZ ARG A 138 31.309 -3.068 -33.786 1.00 0.00 C ATOM 2150 NH1 ARG A 138 31.628 -1.812 -33.506 1.00 0.00 N ATOM 2151 NH2 ARG A 138 30.223 -3.608 -33.250 1.00 0.00 N ATOM 0 H ARG A 138 31.812 -5.567 -39.277 1.00 0.00 H new ATOM 0 HA ARG A 138 34.167 -4.102 -39.251 1.00 0.00 H new ATOM 0 HB2 ARG A 138 32.585 -3.388 -37.718 1.00 0.00 H new ATOM 0 HB3 ARG A 138 32.141 -5.015 -37.243 1.00 0.00 H new ATOM 0 HG2 ARG A 138 33.977 -5.229 -35.772 1.00 0.00 H new ATOM 0 HG3 ARG A 138 34.866 -3.924 -36.532 1.00 0.00 H new ATOM 0 HD2 ARG A 138 34.030 -3.050 -34.468 1.00 0.00 H new ATOM 0 HD3 ARG A 138 33.060 -2.327 -35.736 1.00 0.00 H new ATOM 0 HE ARG A 138 31.802 -4.747 -34.798 1.00 0.00 H new ATOM 0 HH11 ARG A 138 32.463 -1.394 -33.917 1.00 0.00 H new ATOM 0 HH12 ARG A 138 31.039 -1.264 -32.879 1.00 0.00 H new ATOM 0 HH21 ARG A 138 29.975 -4.574 -33.464 1.00 0.00 H new ATOM 0 HH22 ARG A 138 29.636 -3.057 -32.624 1.00 0.00 H new ATOM 2165 N LYS A 139 34.467 -7.095 -37.903 1.00 0.00 N ATOM 2166 CA LYS A 139 35.435 -8.091 -37.458 1.00 0.00 C ATOM 2167 C LYS A 139 36.337 -8.524 -38.609 1.00 0.00 C ATOM 2168 O LYS A 139 37.475 -8.942 -38.396 1.00 0.00 O ATOM 2169 CB LYS A 139 34.714 -9.308 -36.875 1.00 0.00 C ATOM 2170 CG LYS A 139 35.640 -10.283 -36.168 1.00 0.00 C ATOM 2171 CD LYS A 139 34.885 -11.499 -35.659 1.00 0.00 C ATOM 2172 CE LYS A 139 35.615 -12.163 -34.502 1.00 0.00 C ATOM 2173 NZ LYS A 139 35.311 -13.619 -34.416 1.00 0.00 N ATOM 0 H LYS A 139 33.502 -7.425 -37.923 1.00 0.00 H new ATOM 0 HA LYS A 139 36.055 -7.639 -36.684 1.00 0.00 H new ATOM 0 HB2 LYS A 139 33.954 -8.967 -36.172 1.00 0.00 H new ATOM 0 HB3 LYS A 139 34.194 -9.831 -37.678 1.00 0.00 H new ATOM 0 HG2 LYS A 139 36.426 -10.602 -36.853 1.00 0.00 H new ATOM 0 HG3 LYS A 139 36.129 -9.781 -35.333 1.00 0.00 H new ATOM 0 HD2 LYS A 139 33.887 -11.201 -35.338 1.00 0.00 H new ATOM 0 HD3 LYS A 139 34.758 -12.216 -36.470 1.00 0.00 H new ATOM 0 HE2 LYS A 139 36.689 -12.023 -34.622 1.00 0.00 H new ATOM 0 HE3 LYS A 139 35.333 -11.677 -33.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 35.828 -14.035 -33.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 34.289 -13.753 -34.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 35.604 -14.087 -35.297 1.00 0.00 H new ATOM 2187 N LYS A 140 35.822 -8.421 -39.830 1.00 0.00 N ATOM 2188 CA LYS A 140 36.581 -8.800 -41.015 1.00 0.00 C ATOM 2189 C LYS A 140 37.637 -7.749 -41.344 1.00 0.00 C ATOM 2190 O LYS A 140 38.596 -8.023 -42.067 1.00 0.00 O ATOM 2191 CB LYS A 140 35.642 -8.986 -42.210 1.00 0.00 C ATOM 2192 CG LYS A 140 35.098 -10.398 -42.341 1.00 0.00 C ATOM 2193 CD LYS A 140 33.848 -10.435 -43.204 1.00 0.00 C ATOM 2194 CE LYS A 140 34.191 -10.613 -44.675 1.00 0.00 C ATOM 2195 NZ LYS A 140 34.923 -11.886 -44.923 1.00 0.00 N ATOM 0 H LYS A 140 34.881 -8.078 -40.024 1.00 0.00 H new ATOM 0 HA LYS A 140 37.085 -9.744 -40.806 1.00 0.00 H new ATOM 0 HB2 LYS A 140 34.807 -8.291 -42.117 1.00 0.00 H new ATOM 0 HB3 LYS A 140 36.175 -8.724 -43.124 1.00 0.00 H new ATOM 0 HG2 LYS A 140 35.861 -11.044 -42.776 1.00 0.00 H new ATOM 0 HG3 LYS A 140 34.870 -10.795 -41.352 1.00 0.00 H new ATOM 0 HD2 LYS A 140 33.204 -11.252 -42.878 1.00 0.00 H new ATOM 0 HD3 LYS A 140 33.285 -9.512 -43.070 1.00 0.00 H new ATOM 0 HE2 LYS A 140 33.275 -10.600 -45.266 1.00 0.00 H new ATOM 0 HE3 LYS A 140 34.799 -9.773 -45.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 34.747 -12.204 -45.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 35.943 -11.732 -44.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 34.591 -12.613 -44.257 1.00 0.00 H new ATOM 2209 N HIS A 141 37.455 -6.546 -40.808 1.00 0.00 N ATOM 2210 CA HIS A 141 38.394 -5.455 -41.043 1.00 0.00 C ATOM 2211 C HIS A 141 39.554 -5.513 -40.053 1.00 0.00 C ATOM 2212 O HIS A 141 40.470 -4.694 -40.108 1.00 0.00 O ATOM 2213 CB HIS A 141 37.680 -4.107 -40.931 1.00 0.00 C ATOM 2214 CG HIS A 141 38.614 -2.940 -40.839 1.00 0.00 C ATOM 2215 ND1 HIS A 141 39.256 -2.403 -41.935 1.00 0.00 N ATOM 2216 CD2 HIS A 141 39.012 -2.206 -39.774 1.00 0.00 C ATOM 2217 CE1 HIS A 141 40.010 -1.390 -41.547 1.00 0.00 C ATOM 2218 NE2 HIS A 141 39.879 -1.249 -40.240 1.00 0.00 N ATOM 0 H HIS A 141 36.667 -6.302 -40.209 1.00 0.00 H new ATOM 0 HA HIS A 141 38.794 -5.564 -42.051 1.00 0.00 H new ATOM 0 HB2 HIS A 141 37.032 -3.976 -41.797 1.00 0.00 H new ATOM 0 HB3 HIS A 141 37.037 -4.118 -40.051 1.00 0.00 H new ATOM 0 HD2 HIS A 141 38.705 -2.347 -38.748 1.00 0.00 H new ATOM 0 HE1 HIS A 141 40.628 -0.781 -42.189 1.00 0.00 H new ATOM 0 HE2 HIS A 141 40.346 -0.544 -39.670 1.00 0.00 H new ATOM 2226 N MET A 142 39.506 -6.487 -39.150 1.00 0.00 N ATOM 2227 CA MET A 142 40.553 -6.651 -38.148 1.00 0.00 C ATOM 2228 C MET A 142 41.683 -7.527 -38.682 1.00 0.00 C ATOM 2229 O MET A 142 42.815 -7.456 -38.204 1.00 0.00 O ATOM 2230 CB MET A 142 39.976 -7.265 -36.872 1.00 0.00 C ATOM 2231 CG MET A 142 38.605 -6.722 -36.502 1.00 0.00 C ATOM 2232 SD MET A 142 38.697 -5.266 -35.443 1.00 0.00 S ATOM 2233 CE MET A 142 38.677 -3.956 -36.665 1.00 0.00 C ATOM 0 H MET A 142 38.754 -7.174 -39.091 1.00 0.00 H new ATOM 0 HA MET A 142 40.958 -5.666 -37.917 1.00 0.00 H new ATOM 0 HB2 MET A 142 39.908 -8.346 -36.997 1.00 0.00 H new ATOM 0 HB3 MET A 142 40.665 -7.082 -36.047 1.00 0.00 H new ATOM 0 HG2 MET A 142 38.060 -6.471 -37.412 1.00 0.00 H new ATOM 0 HG3 MET A 142 38.035 -7.500 -35.994 1.00 0.00 H new ATOM 0 HE1 MET A 142 39.335 -3.149 -36.344 1.00 0.00 H new ATOM 0 HE2 MET A 142 39.022 -4.346 -37.622 1.00 0.00 H new ATOM 0 HE3 MET A 142 37.661 -3.575 -36.774 1.00 0.00 H new ATOM 2243 N HIS A 143 41.366 -8.354 -39.674 1.00 0.00 N ATOM 2244 CA HIS A 143 42.355 -9.243 -40.273 1.00 0.00 C ATOM 2245 C HIS A 143 43.571 -8.458 -40.756 1.00 0.00 C ATOM 2246 O HIS A 143 44.652 -9.018 -40.937 1.00 0.00 O ATOM 2247 CB HIS A 143 41.737 -10.017 -41.437 1.00 0.00 C ATOM 2248 CG HIS A 143 41.532 -9.187 -42.667 1.00 0.00 C ATOM 2249 ND1 HIS A 143 42.508 -8.366 -43.192 1.00 0.00 N ATOM 2250 CD2 HIS A 143 40.456 -9.055 -43.477 1.00 0.00 C ATOM 2251 CE1 HIS A 143 42.040 -7.764 -44.270 1.00 0.00 C ATOM 2252 NE2 HIS A 143 40.797 -8.165 -44.465 1.00 0.00 N ATOM 0 H HIS A 143 40.433 -8.427 -40.079 1.00 0.00 H new ATOM 0 HA HIS A 143 42.682 -9.949 -39.510 1.00 0.00 H new ATOM 0 HB2 HIS A 143 42.380 -10.862 -41.682 1.00 0.00 H new ATOM 0 HB3 HIS A 143 40.778 -10.427 -41.121 1.00 0.00 H new ATOM 0 HD2 HIS A 143 39.506 -9.556 -43.367 1.00 0.00 H new ATOM 0 HE1 HIS A 143 42.582 -7.063 -44.887 1.00 0.00 H new ATOM 0 HE2 HIS A 143 40.189 -7.863 -45.226 1.00 0.00 H new ATOM 2260 N VAL A 144 43.385 -7.158 -40.965 1.00 0.00 N ATOM 2261 CA VAL A 144 44.466 -6.296 -41.427 1.00 0.00 C ATOM 2262 C VAL A 144 45.085 -5.522 -40.269 1.00 0.00 C ATOM 2263 O VAL A 144 46.176 -4.965 -40.393 1.00 0.00 O ATOM 2264 CB VAL A 144 43.972 -5.298 -42.491 1.00 0.00 C ATOM 2265 CG1 VAL A 144 42.485 -5.029 -42.321 1.00 0.00 C ATOM 2266 CG2 VAL A 144 44.768 -4.004 -42.418 1.00 0.00 C ATOM 0 H VAL A 144 42.496 -6.679 -40.822 1.00 0.00 H new ATOM 0 HA VAL A 144 45.221 -6.945 -41.871 1.00 0.00 H new ATOM 0 HB VAL A 144 44.127 -5.738 -43.476 1.00 0.00 H new ATOM 0 HG11 VAL A 144 42.154 -4.322 -43.081 1.00 0.00 H new ATOM 0 HG12 VAL A 144 41.932 -5.962 -42.428 1.00 0.00 H new ATOM 0 HG13 VAL A 144 42.302 -4.610 -41.332 1.00 0.00 H new ATOM 0 HG21 VAL A 144 44.406 -3.311 -43.177 1.00 0.00 H new ATOM 0 HG22 VAL A 144 44.647 -3.558 -41.431 1.00 0.00 H new ATOM 0 HG23 VAL A 144 45.823 -4.215 -42.594 1.00 0.00 H new ATOM 2276 N HIS A 145 44.382 -5.492 -39.141 1.00 0.00 N ATOM 2277 CA HIS A 145 44.863 -4.787 -37.958 1.00 0.00 C ATOM 2278 C HIS A 145 45.881 -5.632 -37.198 1.00 0.00 C ATOM 2279 O HIS A 145 46.416 -5.208 -36.174 1.00 0.00 O ATOM 2280 CB HIS A 145 43.694 -4.428 -37.041 1.00 0.00 C ATOM 2281 CG HIS A 145 43.055 -3.114 -37.370 1.00 0.00 C ATOM 2282 ND1 HIS A 145 43.763 -1.934 -37.455 1.00 0.00 N ATOM 2283 CD2 HIS A 145 41.767 -2.798 -37.638 1.00 0.00 C ATOM 2284 CE1 HIS A 145 42.938 -0.949 -37.759 1.00 0.00 C ATOM 2285 NE2 HIS A 145 41.720 -1.446 -37.876 1.00 0.00 N ATOM 0 H HIS A 145 43.477 -5.948 -39.021 1.00 0.00 H new ATOM 0 HA HIS A 145 45.352 -3.870 -38.286 1.00 0.00 H new ATOM 0 HB2 HIS A 145 42.941 -5.214 -37.102 1.00 0.00 H new ATOM 0 HB3 HIS A 145 44.046 -4.403 -36.010 1.00 0.00 H new ATOM 0 HD1 HIS A 145 44.767 -1.837 -37.306 1.00 0.00 H new ATOM 0 HD2 HIS A 145 40.931 -3.482 -37.661 1.00 0.00 H new ATOM 0 HE1 HIS A 145 43.213 0.087 -37.890 1.00 0.00 H new