USER MOD reduce.3.24.130724 H: found=0, std=0, add=1027, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1026 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 109 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 SER OG : rot 180:sc= 0.0238 USER MOD Set 2.1: A 105 ASN : amide:sc= -0.317 K(o=-0.47,f=-4.5!) USER MOD Set 2.2: A 106 GLN : amide:sc= -0.155 K(o=-0.47,f=-3.6!) USER MOD Set 3.1: A 88 GLN :FLIP amide:sc= -0.565 F(o=-3.3!,f=-0.24) USER MOD Set 3.2: A 95 GLN : amide:sc= 0.33 K(o=-0.24,f=-3.3) USER MOD Set 4.1: A 34 CYS SG : rot -10:sc= 2.29 USER MOD Set 4.2: A 83 THR OG1 : rot 131:sc= 1.15 USER MOD Set 5.1: A 12 GLN :FLIP amide:sc= -2.84! C(o=-7.1!,f=-5.9!) USER MOD Set 5.2: A 15 SER OG : rot 180:sc= -3.07! USER MOD Single : A 21 ASN : amide:sc= -1.81 K(o=-1.8,f=-9.4!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.166 USER MOD Single : A 28 HIS : no HD1:sc= 0.0953 K(o=0.095,f=-0.99) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= -6.33! C(o=-6.3!,f=-9.9!) USER MOD Single : A 36 MET CE :methyl -112:sc=-0.000912 (180deg=-0.114) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 75:sc= 0.936 USER MOD Single : A 44 THR OG1 : rot 135:sc= -0.171 USER MOD Single : A 46 CYS SG : rot 140:sc= -4.09! USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 108:sc= 0.302 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -164:sc= 0.143 USER MOD Single : A 77 GLN : amide:sc=-0.00314 X(o=-0.0031,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.786 K(o=-0.79,f=-1.3) USER MOD Single : A 85 LYS NZ :NH3+ 150:sc= -0.055 (180deg=-0.634) USER MOD Single : A 91 HIS : no HE2:sc= -0.42 X(o=-0.42,f=-0.87) USER MOD Single : A 93 ASN : amide:sc= -0.818 K(o=-0.82,f=-4.6!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl 180:sc= -0.046 (180deg=-0.046) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 151:sc= -0.0174 (180deg=-0.227) USER MOD Single : A 120 MET CE :methyl -111:sc= -10.8! (180deg=-12.9!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -136:sc= -4.91! (180deg=-10.4!) USER MOD Single : A 126 GLN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 134 ASN : amide:sc= 0.00915 X(o=0.0092,f=0) USER MOD Single : A 135 LYS NZ :NH3+ -159:sc= 0.141 (180deg=0.0729) USER MOD Single : A 136 LYS NZ :NH3+ -129:sc= 0.607 (180deg=0.55) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 127 N GLN A 12 13.065 13.706 4.696 1.00 0.00 N ATOM 128 CA GLN A 12 13.632 12.418 5.056 1.00 0.00 C ATOM 129 C GLN A 12 12.619 11.301 4.797 1.00 0.00 C ATOM 130 O GLN A 12 11.453 11.416 5.172 1.00 0.00 O ATOM 131 CB GLN A 12 14.095 12.411 6.514 1.00 0.00 C ATOM 132 CG GLN A 12 14.238 10.980 7.037 1.00 0.00 C ATOM 133 CD GLN A 12 15.557 10.801 7.791 1.00 0.00 C ATOM 134 OE1 GLN A 12 15.803 11.754 8.685 1.00 0.00 O flip ATOM 135 NE2 GLN A 12 16.303 9.860 7.574 1.00 0.00 N flip ATOM 0 HA GLN A 12 14.507 12.241 4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 12 15.050 12.930 6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.380 12.957 7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.403 10.745 7.697 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.193 10.278 6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.053 9.162 6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.176 9.771 8.094 1.00 0.00 H new ATOM 144 N PRO A 13 13.113 10.218 4.140 1.00 0.00 N ATOM 145 CA PRO A 13 12.264 9.081 3.826 1.00 0.00 C ATOM 146 C PRO A 13 11.989 8.241 5.075 1.00 0.00 C ATOM 147 O PRO A 13 12.865 7.518 5.546 1.00 0.00 O ATOM 148 CB PRO A 13 13.014 8.315 2.749 1.00 0.00 C ATOM 149 CG PRO A 13 14.457 8.788 2.829 1.00 0.00 C ATOM 150 CD PRO A 13 14.488 10.047 3.680 1.00 0.00 C ATOM 0 HA PRO A 13 11.277 9.378 3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.946 7.240 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.592 8.513 1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.088 8.015 3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.848 8.991 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.176 9.941 4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.822 10.908 3.101 1.00 0.00 H new ATOM 158 N VAL A 14 10.768 8.365 5.575 1.00 0.00 N ATOM 159 CA VAL A 14 10.367 7.626 6.760 1.00 0.00 C ATOM 160 C VAL A 14 11.608 7.279 7.584 1.00 0.00 C ATOM 161 O VAL A 14 12.200 6.217 7.403 1.00 0.00 O ATOM 162 CB VAL A 14 9.552 6.395 6.358 1.00 0.00 C ATOM 163 CG1 VAL A 14 8.115 6.781 6.002 1.00 0.00 C ATOM 164 CG2 VAL A 14 10.222 5.648 5.203 1.00 0.00 C ATOM 0 H VAL A 14 10.044 8.966 5.181 1.00 0.00 H new ATOM 0 HA VAL A 14 9.720 8.236 7.390 1.00 0.00 H new ATOM 0 HB VAL A 14 9.515 5.723 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.558 5.888 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.640 7.248 6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.123 7.482 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.623 4.777 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.304 6.310 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.217 5.324 5.508 1.00 0.00 H new ATOM 174 N SER A 15 11.965 8.196 8.472 1.00 0.00 N ATOM 175 CA SER A 15 13.125 8.000 9.325 1.00 0.00 C ATOM 176 C SER A 15 12.983 6.694 10.109 1.00 0.00 C ATOM 177 O SER A 15 13.978 6.037 10.413 1.00 0.00 O ATOM 178 CB SER A 15 13.309 9.177 10.284 1.00 0.00 C ATOM 179 OG SER A 15 14.468 9.945 9.971 1.00 0.00 O ATOM 0 H SER A 15 11.471 9.076 8.619 1.00 0.00 H new ATOM 0 HA SER A 15 14.010 7.942 8.691 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.428 9.818 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 15 13.386 8.804 11.305 1.00 0.00 H new ATOM 0 HG SER A 15 14.549 10.688 10.605 1.00 0.00 H new ATOM 185 N LEU A 16 11.739 6.356 10.415 1.00 0.00 N ATOM 186 CA LEU A 16 11.454 5.140 11.158 1.00 0.00 C ATOM 187 C LEU A 16 10.257 4.429 10.524 1.00 0.00 C ATOM 188 O LEU A 16 9.617 4.967 9.622 1.00 0.00 O ATOM 189 CB LEU A 16 11.269 5.452 12.644 1.00 0.00 C ATOM 190 CG LEU A 16 11.256 6.934 13.022 1.00 0.00 C ATOM 191 CD1 LEU A 16 10.028 7.638 12.442 1.00 0.00 C ATOM 192 CD2 LEU A 16 11.358 7.114 14.538 1.00 0.00 C ATOM 0 H LEU A 16 10.916 6.903 10.162 1.00 0.00 H new ATOM 0 HA LEU A 16 12.298 4.453 11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.331 5.005 12.975 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.069 4.963 13.200 1.00 0.00 H new ATOM 0 HG LEU A 16 12.134 7.406 12.582 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.044 8.690 12.726 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.041 7.555 11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.123 7.171 12.831 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.347 8.177 14.780 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.513 6.623 15.020 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.287 6.671 14.895 1.00 0.00 H new ATOM 204 N PRO A 17 9.983 3.198 11.035 1.00 0.00 N ATOM 205 CA PRO A 17 8.874 2.408 10.529 1.00 0.00 C ATOM 206 C PRO A 17 7.537 2.953 11.034 1.00 0.00 C ATOM 207 O PRO A 17 6.478 2.558 10.549 1.00 0.00 O ATOM 208 CB PRO A 17 9.154 0.990 11.000 1.00 0.00 C ATOM 209 CG PRO A 17 10.154 1.119 12.137 1.00 0.00 C ATOM 210 CD PRO A 17 10.720 2.530 12.103 1.00 0.00 C ATOM 0 HA PRO A 17 8.793 2.444 9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.239 0.503 11.338 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.559 0.382 10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.670 0.925 13.094 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.952 0.385 12.028 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.580 3.036 13.058 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.791 2.523 11.901 1.00 0.00 H new ATOM 218 N GLU A 18 7.629 3.852 12.003 1.00 0.00 N ATOM 219 CA GLU A 18 6.440 4.456 12.580 1.00 0.00 C ATOM 220 C GLU A 18 5.748 5.354 11.552 1.00 0.00 C ATOM 221 O GLU A 18 4.548 5.225 11.318 1.00 0.00 O ATOM 222 CB GLU A 18 6.782 5.238 13.849 1.00 0.00 C ATOM 223 CG GLU A 18 7.428 4.328 14.896 1.00 0.00 C ATOM 224 CD GLU A 18 6.959 4.696 16.306 1.00 0.00 C ATOM 225 OE1 GLU A 18 7.137 5.877 16.673 1.00 0.00 O ATOM 226 OE2 GLU A 18 6.433 3.786 16.984 1.00 0.00 O ATOM 0 H GLU A 18 8.509 4.177 12.403 1.00 0.00 H new ATOM 0 HA GLU A 18 5.751 3.659 12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.460 6.056 13.605 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.877 5.686 14.260 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.176 3.289 14.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.513 4.412 14.836 1.00 0.00 H new ATOM 233 N GLU A 19 6.536 6.243 10.966 1.00 0.00 N ATOM 234 CA GLU A 19 6.015 7.162 9.968 1.00 0.00 C ATOM 235 C GLU A 19 5.250 6.395 8.888 1.00 0.00 C ATOM 236 O GLU A 19 4.236 6.874 8.382 1.00 0.00 O ATOM 237 CB GLU A 19 7.139 8.000 9.354 1.00 0.00 C ATOM 238 CG GLU A 19 7.760 8.932 10.396 1.00 0.00 C ATOM 239 CD GLU A 19 6.851 10.131 10.671 1.00 0.00 C ATOM 240 OE1 GLU A 19 5.955 10.367 9.832 1.00 0.00 O ATOM 241 OE2 GLU A 19 7.072 10.784 11.714 1.00 0.00 O ATOM 0 H GLU A 19 7.531 6.347 11.163 1.00 0.00 H new ATOM 0 HA GLU A 19 5.323 7.846 10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.906 7.342 8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.748 8.587 8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.934 8.383 11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.731 9.281 10.044 1.00 0.00 H new ATOM 248 N LEU A 20 5.764 5.217 8.567 1.00 0.00 N ATOM 249 CA LEU A 20 5.141 4.379 7.556 1.00 0.00 C ATOM 250 C LEU A 20 3.858 3.771 8.124 1.00 0.00 C ATOM 251 O LEU A 20 3.000 3.310 7.373 1.00 0.00 O ATOM 252 CB LEU A 20 6.136 3.340 7.035 1.00 0.00 C ATOM 253 CG LEU A 20 5.870 2.804 5.627 1.00 0.00 C ATOM 254 CD1 LEU A 20 5.542 3.943 4.659 1.00 0.00 C ATOM 255 CD2 LEU A 20 7.041 1.952 5.134 1.00 0.00 C ATOM 0 H LEU A 20 6.605 4.823 8.989 1.00 0.00 H new ATOM 0 HA LEU A 20 4.855 4.975 6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.133 3.780 7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.147 2.498 7.727 1.00 0.00 H new ATOM 0 HG LEU A 20 4.995 2.155 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.357 3.534 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.653 4.470 5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.382 4.637 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.826 1.584 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.947 2.557 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.185 1.107 5.808 1.00 0.00 H new ATOM 267 N ASN A 21 3.766 3.790 9.446 1.00 0.00 N ATOM 268 CA ASN A 21 2.602 3.246 10.123 1.00 0.00 C ATOM 269 C ASN A 21 1.537 4.337 10.254 1.00 0.00 C ATOM 270 O ASN A 21 0.365 4.041 10.481 1.00 0.00 O ATOM 271 CB ASN A 21 2.959 2.762 11.530 1.00 0.00 C ATOM 272 CG ASN A 21 2.988 1.234 11.594 1.00 0.00 C ATOM 273 OD1 ASN A 21 2.137 0.548 11.054 1.00 0.00 O ATOM 274 ND2 ASN A 21 4.013 0.741 12.284 1.00 0.00 N ATOM 0 H ASN A 21 4.479 4.174 10.066 1.00 0.00 H new ATOM 0 HA ASN A 21 2.233 2.405 9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.932 3.160 11.819 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.232 3.146 12.246 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.121 -0.268 12.386 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.691 1.372 12.711 1.00 0.00 H new ATOM 281 N ARG A 22 1.984 5.575 10.105 1.00 0.00 N ATOM 282 CA ARG A 22 1.084 6.712 10.204 1.00 0.00 C ATOM 283 C ARG A 22 0.170 6.773 8.979 1.00 0.00 C ATOM 284 O ARG A 22 -0.988 7.176 9.083 1.00 0.00 O ATOM 285 CB ARG A 22 1.864 8.024 10.316 1.00 0.00 C ATOM 286 CG ARG A 22 2.872 7.966 11.465 1.00 0.00 C ATOM 287 CD ARG A 22 3.580 9.311 11.642 1.00 0.00 C ATOM 288 NE ARG A 22 2.891 10.113 12.677 1.00 0.00 N ATOM 289 CZ ARG A 22 3.083 11.427 12.860 1.00 0.00 C ATOM 290 NH1 ARG A 22 3.944 12.093 12.079 1.00 0.00 N ATOM 291 NH2 ARG A 22 2.414 12.073 13.825 1.00 0.00 N ATOM 0 H ARG A 22 2.957 5.816 9.917 1.00 0.00 H new ATOM 0 HA ARG A 22 0.483 6.582 11.104 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.386 8.222 9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.172 8.850 10.476 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.361 7.696 12.389 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.608 7.187 11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.619 9.149 11.928 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.590 9.853 10.697 1.00 0.00 H new ATOM 0 HE ARG A 22 2.229 9.636 13.289 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.453 11.600 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.090 13.093 12.218 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.759 11.565 14.420 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.560 13.073 13.965 1.00 0.00 H new ATOM 305 N VAL A 23 0.724 6.367 7.846 1.00 0.00 N ATOM 306 CA VAL A 23 -0.027 6.371 6.602 1.00 0.00 C ATOM 307 C VAL A 23 -0.486 4.946 6.284 1.00 0.00 C ATOM 308 O VAL A 23 -0.972 4.677 5.187 1.00 0.00 O ATOM 309 CB VAL A 23 0.814 6.991 5.485 1.00 0.00 C ATOM 310 CG1 VAL A 23 0.854 8.516 5.610 1.00 0.00 C ATOM 311 CG2 VAL A 23 2.227 6.405 5.472 1.00 0.00 C ATOM 0 H VAL A 23 1.684 6.033 7.763 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.921 6.987 6.698 1.00 0.00 H new ATOM 0 HB VAL A 23 0.341 6.745 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.458 8.931 4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.159 8.913 5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.291 8.791 6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.804 6.863 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.713 6.605 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.173 5.328 5.311 1.00 0.00 H new ATOM 321 N ARG A 24 -0.315 4.071 7.264 1.00 0.00 N ATOM 322 CA ARG A 24 -0.705 2.681 7.103 1.00 0.00 C ATOM 323 C ARG A 24 -2.225 2.541 7.209 1.00 0.00 C ATOM 324 O ARG A 24 -2.814 2.886 8.233 1.00 0.00 O ATOM 325 CB ARG A 24 -0.043 1.796 8.161 1.00 0.00 C ATOM 326 CG ARG A 24 -0.581 0.366 8.094 1.00 0.00 C ATOM 327 CD ARG A 24 -0.144 -0.442 9.318 1.00 0.00 C ATOM 328 NE ARG A 24 -0.841 0.053 10.527 1.00 0.00 N ATOM 329 CZ ARG A 24 -2.130 -0.187 10.801 1.00 0.00 C ATOM 330 NH1 ARG A 24 -2.871 -0.916 9.955 1.00 0.00 N ATOM 331 NH2 ARG A 24 -2.679 0.302 11.922 1.00 0.00 N ATOM 0 H ARG A 24 0.089 4.298 8.173 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.374 2.356 6.116 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.037 1.790 8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.225 2.211 9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.669 0.385 8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.222 -0.119 7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.368 -1.498 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.935 -0.361 9.451 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.306 0.611 11.192 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.453 -1.288 9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.853 -1.099 10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.115 0.857 12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.661 0.119 12.131 1.00 0.00 H new ATOM 345 N LEU A 25 -2.817 2.034 6.138 1.00 0.00 N ATOM 346 CA LEU A 25 -4.257 1.844 6.098 1.00 0.00 C ATOM 347 C LEU A 25 -4.629 0.619 6.937 1.00 0.00 C ATOM 348 O LEU A 25 -3.761 -0.014 7.536 1.00 0.00 O ATOM 349 CB LEU A 25 -4.748 1.769 4.651 1.00 0.00 C ATOM 350 CG LEU A 25 -4.677 3.072 3.851 1.00 0.00 C ATOM 351 CD1 LEU A 25 -5.388 2.927 2.504 1.00 0.00 C ATOM 352 CD2 LEU A 25 -5.224 4.246 4.665 1.00 0.00 C ATOM 0 H LEU A 25 -2.326 1.749 5.291 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.766 2.701 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.163 1.012 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.782 1.425 4.656 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.629 3.287 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.323 3.867 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.913 2.135 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.436 2.676 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.162 5.159 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.264 4.054 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.636 4.363 5.575 1.00 0.00 H new ATOM 364 N SER A 26 -5.920 0.323 6.954 1.00 0.00 N ATOM 365 CA SER A 26 -6.418 -0.814 7.710 1.00 0.00 C ATOM 366 C SER A 26 -7.633 -1.419 7.005 1.00 0.00 C ATOM 367 O SER A 26 -8.545 -0.698 6.604 1.00 0.00 O ATOM 368 CB SER A 26 -6.780 -0.409 9.140 1.00 0.00 C ATOM 369 OG SER A 26 -7.120 0.972 9.234 1.00 0.00 O ATOM 0 H SER A 26 -6.637 0.851 6.456 1.00 0.00 H new ATOM 0 HA SER A 26 -5.627 -1.562 7.763 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.618 -1.013 9.487 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.939 -0.621 9.801 1.00 0.00 H new ATOM 0 HG SER A 26 -7.346 1.191 10.162 1.00 0.00 H new ATOM 375 N ARG A 27 -7.607 -2.738 6.877 1.00 0.00 N ATOM 376 CA ARG A 27 -8.695 -3.448 6.227 1.00 0.00 C ATOM 377 C ARG A 27 -10.029 -2.756 6.517 1.00 0.00 C ATOM 378 O ARG A 27 -10.844 -2.570 5.616 1.00 0.00 O ATOM 379 CB ARG A 27 -8.768 -4.900 6.705 1.00 0.00 C ATOM 380 CG ARG A 27 -9.318 -5.812 5.607 1.00 0.00 C ATOM 381 CD ARG A 27 -8.887 -7.263 5.832 1.00 0.00 C ATOM 382 NE ARG A 27 -9.840 -7.938 6.740 1.00 0.00 N ATOM 383 CZ ARG A 27 -9.739 -7.930 8.077 1.00 0.00 C ATOM 384 NH1 ARG A 27 -8.726 -7.282 8.668 1.00 0.00 N ATOM 385 NH2 ARG A 27 -10.650 -8.571 8.822 1.00 0.00 N ATOM 0 H ARG A 27 -6.850 -3.333 7.212 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.502 -3.439 5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.775 -5.239 7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.404 -4.964 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.406 -5.751 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.964 -5.470 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.844 -7.790 4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.884 -7.291 6.258 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.623 -8.441 6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.032 -6.795 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.649 -7.276 9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.420 -9.065 8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.573 -8.565 9.839 1.00 0.00 H new ATOM 399 N HIS A 28 -10.209 -2.393 7.779 1.00 0.00 N ATOM 400 CA HIS A 28 -11.429 -1.726 8.199 1.00 0.00 C ATOM 401 C HIS A 28 -11.640 -0.465 7.358 1.00 0.00 C ATOM 402 O HIS A 28 -12.616 -0.366 6.616 1.00 0.00 O ATOM 403 CB HIS A 28 -11.401 -1.438 9.701 1.00 0.00 C ATOM 404 CG HIS A 28 -12.134 -2.461 10.536 1.00 0.00 C ATOM 405 ND1 HIS A 28 -13.489 -2.710 10.397 1.00 0.00 N ATOM 406 CD2 HIS A 28 -11.688 -3.295 11.519 1.00 0.00 C ATOM 407 CE1 HIS A 28 -13.831 -3.653 11.263 1.00 0.00 C ATOM 408 NE2 HIS A 28 -12.714 -4.013 11.958 1.00 0.00 N ATOM 0 H HIS A 28 -9.530 -2.549 8.524 1.00 0.00 H new ATOM 0 HA HIS A 28 -12.283 -2.382 8.029 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.364 -1.390 10.032 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -11.839 -0.456 9.881 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.672 -3.360 11.879 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.821 -4.064 11.395 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.674 -4.718 12.694 1.00 0.00 H new ATOM 416 N LYS A 29 -10.708 0.466 7.501 1.00 0.00 N ATOM 417 CA LYS A 29 -10.780 1.716 6.764 1.00 0.00 C ATOM 418 C LYS A 29 -11.112 1.421 5.299 1.00 0.00 C ATOM 419 O LYS A 29 -11.954 2.091 4.703 1.00 0.00 O ATOM 420 CB LYS A 29 -9.494 2.523 6.952 1.00 0.00 C ATOM 421 CG LYS A 29 -9.569 3.389 8.211 1.00 0.00 C ATOM 422 CD LYS A 29 -8.223 4.058 8.498 1.00 0.00 C ATOM 423 CE LYS A 29 -8.407 5.314 9.351 1.00 0.00 C ATOM 424 NZ LYS A 29 -8.432 4.964 10.789 1.00 0.00 N ATOM 0 H LYS A 29 -9.899 0.380 8.116 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.582 2.342 7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.643 1.846 7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.327 3.156 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.339 4.151 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.863 2.775 9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.567 3.357 9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.735 4.320 7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.596 6.016 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.335 5.815 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.558 5.828 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.220 4.312 10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.535 4.506 11.051 1.00 0.00 H new ATOM 438 N LEU A 30 -10.434 0.417 4.762 1.00 0.00 N ATOM 439 CA LEU A 30 -10.646 0.025 3.380 1.00 0.00 C ATOM 440 C LEU A 30 -12.078 -0.488 3.214 1.00 0.00 C ATOM 441 O LEU A 30 -12.766 -0.124 2.261 1.00 0.00 O ATOM 442 CB LEU A 30 -9.578 -0.976 2.936 1.00 0.00 C ATOM 443 CG LEU A 30 -8.138 -0.461 2.927 1.00 0.00 C ATOM 444 CD1 LEU A 30 -7.141 -1.621 2.886 1.00 0.00 C ATOM 445 CD2 LEU A 30 -7.916 0.526 1.779 1.00 0.00 C ATOM 0 H LEU A 30 -9.737 -0.137 5.260 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.536 0.885 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.628 -1.845 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.826 -1.320 1.932 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.963 0.081 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.125 -1.227 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.281 -2.252 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.306 -2.211 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.884 0.877 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.116 0.030 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.590 1.375 1.894 1.00 0.00 H new ATOM 457 N GLU A 31 -12.485 -1.327 4.156 1.00 0.00 N ATOM 458 CA GLU A 31 -13.822 -1.894 4.126 1.00 0.00 C ATOM 459 C GLU A 31 -14.872 -0.782 4.181 1.00 0.00 C ATOM 460 O GLU A 31 -16.020 -0.988 3.791 1.00 0.00 O ATOM 461 CB GLU A 31 -14.020 -2.892 5.269 1.00 0.00 C ATOM 462 CG GLU A 31 -15.003 -3.994 4.871 1.00 0.00 C ATOM 463 CD GLU A 31 -16.402 -3.705 5.418 1.00 0.00 C ATOM 464 OE1 GLU A 31 -17.156 -3.004 4.708 1.00 0.00 O ATOM 465 OE2 GLU A 31 -16.686 -4.191 6.534 1.00 0.00 O ATOM 0 H GLU A 31 -11.912 -1.627 4.944 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.944 -2.436 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.062 -3.335 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.391 -2.371 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.043 -4.075 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.652 -4.954 5.250 1.00 0.00 H new ATOM 472 N ARG A 32 -14.440 0.372 4.669 1.00 0.00 N ATOM 473 CA ARG A 32 -15.328 1.516 4.780 1.00 0.00 C ATOM 474 C ARG A 32 -15.160 2.438 3.571 1.00 0.00 C ATOM 475 O ARG A 32 -16.140 2.810 2.927 1.00 0.00 O ATOM 476 CB ARG A 32 -15.049 2.308 6.059 1.00 0.00 C ATOM 477 CG ARG A 32 -14.594 1.382 7.189 1.00 0.00 C ATOM 478 CD ARG A 32 -15.326 1.708 8.493 1.00 0.00 C ATOM 479 NE ARG A 32 -14.865 0.805 9.571 1.00 0.00 N ATOM 480 CZ ARG A 32 -15.050 1.039 10.877 1.00 0.00 C ATOM 481 NH1 ARG A 32 -15.688 2.147 11.275 1.00 0.00 N ATOM 482 NH2 ARG A 32 -14.598 0.163 11.786 1.00 0.00 N ATOM 0 H ARG A 32 -13.487 0.539 4.992 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.350 1.140 4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.281 3.057 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.948 2.844 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.782 0.345 6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.519 1.483 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.143 2.745 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.402 1.601 8.353 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.376 -0.049 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.033 2.813 10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.829 2.325 12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.113 -0.682 11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.739 0.341 12.780 1.00 0.00 H new ATOM 496 N TRP A 33 -13.909 2.781 3.298 1.00 0.00 N ATOM 497 CA TRP A 33 -13.600 3.653 2.177 1.00 0.00 C ATOM 498 C TRP A 33 -13.926 2.898 0.887 1.00 0.00 C ATOM 499 O TRP A 33 -14.036 3.502 -0.179 1.00 0.00 O ATOM 500 CB TRP A 33 -12.148 4.131 2.239 1.00 0.00 C ATOM 501 CG TRP A 33 -11.734 4.691 3.602 1.00 0.00 C ATOM 502 CD1 TRP A 33 -12.488 4.826 4.701 1.00 0.00 C ATOM 503 CD2 TRP A 33 -10.429 5.188 3.967 1.00 0.00 C ATOM 504 NE1 TRP A 33 -11.768 5.373 5.744 1.00 0.00 N ATOM 505 CE2 TRP A 33 -10.476 5.599 5.283 1.00 0.00 C ATOM 506 CE3 TRP A 33 -9.249 5.287 3.210 1.00 0.00 C ATOM 507 CZ2 TRP A 33 -9.374 6.138 5.958 1.00 0.00 C ATOM 508 CZ3 TRP A 33 -8.156 5.827 3.898 1.00 0.00 C ATOM 509 CH2 TRP A 33 -8.187 6.246 5.224 1.00 0.00 C ATOM 0 H TRP A 33 -13.098 2.471 3.834 1.00 0.00 H new ATOM 0 HA TRP A 33 -14.206 4.558 2.213 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -11.491 3.299 1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -11.997 4.899 1.481 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -13.528 4.543 4.763 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -12.119 5.574 6.680 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -9.190 4.971 2.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -9.436 6.453 6.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -7.224 5.925 3.362 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -7.299 6.653 5.685 1.00 0.00 H new ATOM 520 N CYS A 34 -14.072 1.589 1.026 1.00 0.00 N ATOM 521 CA CYS A 34 -14.384 0.745 -0.115 1.00 0.00 C ATOM 522 C CYS A 34 -15.805 1.071 -0.580 1.00 0.00 C ATOM 523 O CYS A 34 -16.187 0.738 -1.700 1.00 0.00 O ATOM 524 CB CYS A 34 -14.218 -0.740 0.217 1.00 0.00 C ATOM 525 SG CYS A 34 -15.134 -1.758 -0.997 1.00 0.00 S ATOM 0 H CYS A 34 -13.980 1.092 1.912 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.683 0.949 -0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -13.162 -1.008 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -14.586 -0.940 1.223 1.00 0.00 H new ATOM 0 HG CYS A 34 -15.890 -0.990 -1.725 1.00 0.00 H new ATOM 531 N HIS A 35 -16.548 1.718 0.306 1.00 0.00 N ATOM 532 CA HIS A 35 -17.919 2.092 0.000 1.00 0.00 C ATOM 533 C HIS A 35 -18.036 3.617 -0.044 1.00 0.00 C ATOM 534 O HIS A 35 -19.131 4.163 0.085 1.00 0.00 O ATOM 535 CB HIS A 35 -18.891 1.451 0.993 1.00 0.00 C ATOM 536 CG HIS A 35 -18.922 2.124 2.344 1.00 0.00 C ATOM 537 ND1 HIS A 35 -19.412 3.404 2.534 1.00 0.00 N ATOM 538 CD2 HIS A 35 -18.519 1.680 3.570 1.00 0.00 C ATOM 539 CE1 HIS A 35 -19.303 3.707 3.819 1.00 0.00 C ATOM 540 NE2 HIS A 35 -18.749 2.638 4.459 1.00 0.00 N ATOM 0 H HIS A 35 -16.227 1.993 1.235 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.193 1.712 -0.984 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.894 1.469 0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.620 0.404 1.126 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -19.792 4.011 1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -18.086 0.713 3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -19.601 4.638 4.279 1.00 0.00 H new ATOM 548 N MET A 36 -16.893 4.262 -0.226 1.00 0.00 N ATOM 549 CA MET A 36 -16.854 5.713 -0.289 1.00 0.00 C ATOM 550 C MET A 36 -15.972 6.188 -1.446 1.00 0.00 C ATOM 551 O MET A 36 -15.186 5.415 -1.990 1.00 0.00 O ATOM 552 CB MET A 36 -16.309 6.267 1.029 1.00 0.00 C ATOM 553 CG MET A 36 -16.932 5.545 2.226 1.00 0.00 C ATOM 554 SD MET A 36 -18.455 6.348 2.698 1.00 0.00 S ATOM 555 CE MET A 36 -17.804 7.732 3.618 1.00 0.00 C ATOM 0 H MET A 36 -15.987 3.806 -0.332 1.00 0.00 H new ATOM 0 HA MET A 36 -17.867 6.078 -0.455 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.225 6.154 1.055 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.519 7.335 1.094 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.124 4.502 1.973 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.236 5.546 3.065 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.055 7.618 4.673 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.720 7.767 3.505 1.00 0.00 H new ATOM 0 HE3 MET A 36 -18.238 8.657 3.239 1.00 0.00 H new ATOM 565 N PRO A 37 -16.137 7.492 -1.796 1.00 0.00 N ATOM 566 CA PRO A 37 -15.365 8.080 -2.878 1.00 0.00 C ATOM 567 C PRO A 37 -13.922 8.343 -2.442 1.00 0.00 C ATOM 568 O PRO A 37 -13.526 7.971 -1.339 1.00 0.00 O ATOM 569 CB PRO A 37 -16.114 9.349 -3.251 1.00 0.00 C ATOM 570 CG PRO A 37 -17.010 9.668 -2.065 1.00 0.00 C ATOM 571 CD PRO A 37 -17.058 8.438 -1.173 1.00 0.00 C ATOM 0 HA PRO A 37 -15.276 7.418 -3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -15.422 10.167 -3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.702 9.203 -4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.623 10.525 -1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.012 9.933 -2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.752 8.676 -0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -18.067 8.029 -1.116 1.00 0.00 H new ATOM 579 N PHE A 38 -13.177 8.982 -3.332 1.00 0.00 N ATOM 580 CA PHE A 38 -11.787 9.299 -3.053 1.00 0.00 C ATOM 581 C PHE A 38 -11.070 8.108 -2.415 1.00 0.00 C ATOM 582 O PHE A 38 -10.042 8.275 -1.761 1.00 0.00 O ATOM 583 CB PHE A 38 -11.784 10.469 -2.067 1.00 0.00 C ATOM 584 CG PHE A 38 -12.514 10.177 -0.754 1.00 0.00 C ATOM 585 CD1 PHE A 38 -11.877 9.509 0.244 1.00 0.00 C ATOM 586 CD2 PHE A 38 -13.800 10.588 -0.586 1.00 0.00 C ATOM 587 CE1 PHE A 38 -12.555 9.238 1.463 1.00 0.00 C ATOM 588 CE2 PHE A 38 -14.477 10.317 0.633 1.00 0.00 C ATOM 589 CZ PHE A 38 -13.841 9.648 1.631 1.00 0.00 C ATOM 0 H PHE A 38 -13.510 9.289 -4.246 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.269 9.546 -3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.752 10.741 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -12.246 11.334 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.856 9.184 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.306 11.120 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.049 8.707 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.498 10.643 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 38 -14.357 9.442 2.557 1.00 0.00 H new ATOM 599 N PHE A 39 -11.640 6.931 -2.629 1.00 0.00 N ATOM 600 CA PHE A 39 -11.068 5.712 -2.083 1.00 0.00 C ATOM 601 C PHE A 39 -9.722 5.396 -2.739 1.00 0.00 C ATOM 602 O PHE A 39 -8.677 5.498 -2.098 1.00 0.00 O ATOM 603 CB PHE A 39 -12.050 4.580 -2.392 1.00 0.00 C ATOM 604 CG PHE A 39 -11.508 3.184 -2.080 1.00 0.00 C ATOM 605 CD1 PHE A 39 -11.436 2.754 -0.792 1.00 0.00 C ATOM 606 CD2 PHE A 39 -11.098 2.372 -3.092 1.00 0.00 C ATOM 607 CE1 PHE A 39 -10.933 1.458 -0.503 1.00 0.00 C ATOM 608 CE2 PHE A 39 -10.595 1.076 -2.803 1.00 0.00 C ATOM 609 CZ PHE A 39 -10.523 0.646 -1.515 1.00 0.00 C ATOM 0 H PHE A 39 -12.492 6.796 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.902 5.826 -1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.964 4.740 -1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.321 4.626 -3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.761 3.398 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.155 2.713 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.876 1.117 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.270 0.432 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.140 -0.340 -1.295 1.00 0.00 H new ATOM 619 N ALA A 40 -9.792 5.019 -4.007 1.00 0.00 N ATOM 620 CA ALA A 40 -8.592 4.688 -4.756 1.00 0.00 C ATOM 621 C ALA A 40 -7.689 5.921 -4.835 1.00 0.00 C ATOM 622 O ALA A 40 -6.481 5.798 -5.031 1.00 0.00 O ATOM 623 CB ALA A 40 -8.982 4.162 -6.139 1.00 0.00 C ATOM 0 H ALA A 40 -10.661 4.935 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.031 3.900 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.082 3.914 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.598 3.270 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.544 4.927 -6.674 1.00 0.00 H new ATOM 629 N LYS A 41 -8.309 7.081 -4.678 1.00 0.00 N ATOM 630 CA LYS A 41 -7.576 8.334 -4.729 1.00 0.00 C ATOM 631 C LYS A 41 -6.828 8.536 -3.410 1.00 0.00 C ATOM 632 O LYS A 41 -5.711 9.051 -3.398 1.00 0.00 O ATOM 633 CB LYS A 41 -8.514 9.489 -5.086 1.00 0.00 C ATOM 634 CG LYS A 41 -7.814 10.503 -5.994 1.00 0.00 C ATOM 635 CD LYS A 41 -8.700 10.877 -7.184 1.00 0.00 C ATOM 636 CE LYS A 41 -7.911 11.675 -8.225 1.00 0.00 C ATOM 637 NZ LYS A 41 -8.782 12.045 -9.362 1.00 0.00 N ATOM 0 H LYS A 41 -9.311 7.179 -4.515 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.827 8.305 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.402 9.100 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.851 9.983 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.568 11.399 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.873 10.086 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.102 9.973 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.551 11.464 -6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.499 12.574 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.068 11.084 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.232 12.586 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.155 11.183 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.573 12.627 -9.019 1.00 0.00 H new ATOM 651 N THR A 42 -7.473 8.120 -2.330 1.00 0.00 N ATOM 652 CA THR A 42 -6.883 8.249 -1.009 1.00 0.00 C ATOM 653 C THR A 42 -5.932 7.083 -0.734 1.00 0.00 C ATOM 654 O THR A 42 -4.716 7.266 -0.689 1.00 0.00 O ATOM 655 CB THR A 42 -8.020 8.359 0.009 1.00 0.00 C ATOM 656 OG1 THR A 42 -8.644 9.601 -0.301 1.00 0.00 O ATOM 657 CG2 THR A 42 -7.510 8.544 1.440 1.00 0.00 C ATOM 0 H THR A 42 -8.399 7.693 -2.343 1.00 0.00 H new ATOM 0 HA THR A 42 -6.273 9.150 -0.935 1.00 0.00 H new ATOM 0 HB THR A 42 -8.640 7.464 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.173 9.506 -1.120 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.357 8.616 2.122 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.892 7.691 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.917 9.457 1.500 1.00 0.00 H new ATOM 665 N VAL A 43 -6.521 5.909 -0.556 1.00 0.00 N ATOM 666 CA VAL A 43 -5.741 4.713 -0.287 1.00 0.00 C ATOM 667 C VAL A 43 -4.442 4.764 -1.094 1.00 0.00 C ATOM 668 O VAL A 43 -3.409 4.269 -0.646 1.00 0.00 O ATOM 669 CB VAL A 43 -6.578 3.466 -0.579 1.00 0.00 C ATOM 670 CG1 VAL A 43 -7.914 3.516 0.166 1.00 0.00 C ATOM 671 CG2 VAL A 43 -6.795 3.291 -2.083 1.00 0.00 C ATOM 0 H VAL A 43 -7.530 5.761 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.467 4.665 0.767 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.025 2.599 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.490 2.618 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.730 3.570 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.475 4.395 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.393 2.397 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.317 4.162 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.830 3.188 -2.580 1.00 0.00 H new ATOM 681 N THR A 44 -4.537 5.367 -2.270 1.00 0.00 N ATOM 682 CA THR A 44 -3.382 5.489 -3.144 1.00 0.00 C ATOM 683 C THR A 44 -2.341 6.423 -2.524 1.00 0.00 C ATOM 684 O THR A 44 -2.582 7.620 -2.380 1.00 0.00 O ATOM 685 CB THR A 44 -3.875 5.954 -4.516 1.00 0.00 C ATOM 686 OG1 THR A 44 -4.339 4.760 -5.140 1.00 0.00 O ATOM 687 CG2 THR A 44 -2.733 6.427 -5.418 1.00 0.00 C ATOM 0 H THR A 44 -5.396 5.776 -2.638 1.00 0.00 H new ATOM 0 HA THR A 44 -2.878 4.531 -3.271 1.00 0.00 H new ATOM 0 HB THR A 44 -4.596 6.762 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.208 4.927 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.137 6.746 -6.379 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.218 7.263 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.030 5.609 -5.573 1.00 0.00 H new ATOM 695 N GLY A 45 -1.204 5.839 -2.173 1.00 0.00 N ATOM 696 CA GLY A 45 -0.124 6.604 -1.572 1.00 0.00 C ATOM 697 C GLY A 45 0.131 6.153 -0.133 1.00 0.00 C ATOM 698 O GLY A 45 1.039 6.657 0.527 1.00 0.00 O ATOM 0 H GLY A 45 -1.007 4.845 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.785 6.482 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.373 7.665 -1.586 1.00 0.00 H new ATOM 702 N CYS A 46 -0.685 5.209 0.312 1.00 0.00 N ATOM 703 CA CYS A 46 -0.559 4.685 1.661 1.00 0.00 C ATOM 704 C CYS A 46 0.256 3.391 1.600 1.00 0.00 C ATOM 705 O CYS A 46 0.809 3.051 0.555 1.00 0.00 O ATOM 706 CB CYS A 46 -1.926 4.468 2.314 1.00 0.00 C ATOM 707 SG CYS A 46 -2.795 6.068 2.492 1.00 0.00 S ATOM 0 H CYS A 46 -1.436 4.793 -0.238 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.041 5.410 2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.523 3.786 1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.802 4.002 3.291 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.055 5.911 2.214 1.00 0.00 H new ATOM 713 N PHE A 47 0.304 2.705 2.732 1.00 0.00 N ATOM 714 CA PHE A 47 1.041 1.456 2.820 1.00 0.00 C ATOM 715 C PHE A 47 0.273 0.423 3.646 1.00 0.00 C ATOM 716 O PHE A 47 -0.181 0.718 4.750 1.00 0.00 O ATOM 717 CB PHE A 47 2.366 1.768 3.519 1.00 0.00 C ATOM 718 CG PHE A 47 3.330 2.608 2.680 1.00 0.00 C ATOM 719 CD1 PHE A 47 3.069 3.925 2.459 1.00 0.00 C ATOM 720 CD2 PHE A 47 4.448 2.039 2.155 1.00 0.00 C ATOM 721 CE1 PHE A 47 3.964 4.705 1.680 1.00 0.00 C ATOM 722 CE2 PHE A 47 5.343 2.820 1.376 1.00 0.00 C ATOM 723 CZ PHE A 47 5.082 4.136 1.155 1.00 0.00 C ATOM 0 H PHE A 47 -0.156 2.991 3.597 1.00 0.00 H new ATOM 0 HA PHE A 47 1.194 1.043 1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.158 2.294 4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.854 0.830 3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.181 4.377 2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.655 0.994 2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.757 5.750 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.231 2.368 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.763 4.729 0.563 1.00 0.00 H new ATOM 733 N VAL A 48 0.151 -0.769 3.079 1.00 0.00 N ATOM 734 CA VAL A 48 -0.554 -1.848 3.749 1.00 0.00 C ATOM 735 C VAL A 48 0.347 -3.082 3.807 1.00 0.00 C ATOM 736 O VAL A 48 1.226 -3.254 2.963 1.00 0.00 O ATOM 737 CB VAL A 48 -1.889 -2.115 3.049 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.765 -0.860 3.044 1.00 0.00 C ATOM 739 CG2 VAL A 48 -1.668 -2.635 1.627 1.00 0.00 C ATOM 0 H VAL A 48 0.529 -1.011 2.163 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.790 -1.570 4.776 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.414 -2.888 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.708 -1.076 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.964 -0.551 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.248 -0.058 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.632 -2.817 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.113 -1.894 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.101 -3.565 1.664 1.00 0.00 H new ATOM 749 N ARG A 49 0.099 -3.911 4.810 1.00 0.00 N ATOM 750 CA ARG A 49 0.878 -5.124 4.989 1.00 0.00 C ATOM 751 C ARG A 49 0.233 -6.286 4.230 1.00 0.00 C ATOM 752 O ARG A 49 -0.899 -6.669 4.521 1.00 0.00 O ATOM 753 CB ARG A 49 0.991 -5.492 6.470 1.00 0.00 C ATOM 754 CG ARG A 49 2.373 -5.131 7.020 1.00 0.00 C ATOM 755 CD ARG A 49 2.420 -5.306 8.540 1.00 0.00 C ATOM 756 NE ARG A 49 3.400 -6.355 8.898 1.00 0.00 N ATOM 757 CZ ARG A 49 3.803 -6.610 10.150 1.00 0.00 C ATOM 758 NH1 ARG A 49 3.313 -5.894 11.171 1.00 0.00 N ATOM 759 NH2 ARG A 49 4.697 -7.582 10.382 1.00 0.00 N ATOM 0 H ARG A 49 -0.631 -3.766 5.508 1.00 0.00 H new ATOM 0 HA ARG A 49 1.877 -4.938 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.221 -4.969 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.812 -6.560 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.130 -5.762 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.614 -4.100 6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.694 -4.364 9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.432 -5.576 8.914 1.00 0.00 H new ATOM 0 HE ARG A 49 3.793 -6.919 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.633 -5.154 10.995 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.620 -6.089 12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.070 -8.127 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.004 -7.776 11.335 1.00 0.00 H new ATOM 773 N ILE A 50 0.981 -6.813 3.272 1.00 0.00 N ATOM 774 CA ILE A 50 0.496 -7.923 2.469 1.00 0.00 C ATOM 775 C ILE A 50 1.128 -9.223 2.970 1.00 0.00 C ATOM 776 O ILE A 50 2.249 -9.218 3.476 1.00 0.00 O ATOM 777 CB ILE A 50 0.738 -7.654 0.982 1.00 0.00 C ATOM 778 CG1 ILE A 50 -0.278 -8.403 0.118 1.00 0.00 C ATOM 779 CG2 ILE A 50 2.179 -7.988 0.592 1.00 0.00 C ATOM 780 CD1 ILE A 50 -1.709 -7.994 0.475 1.00 0.00 C ATOM 0 H ILE A 50 1.919 -6.492 3.034 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.583 -8.030 2.578 1.00 0.00 H new ATOM 0 HB ILE A 50 0.594 -6.589 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.089 -8.195 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.157 -9.477 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.324 -7.788 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.865 -7.373 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.376 -9.041 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.411 -8.541 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.903 -8.226 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.833 -6.924 0.311 1.00 0.00 H new ATOM 792 N GLY A 51 0.381 -10.306 2.810 1.00 0.00 N ATOM 793 CA GLY A 51 0.855 -11.611 3.240 1.00 0.00 C ATOM 794 C GLY A 51 1.299 -12.454 2.043 1.00 0.00 C ATOM 795 O GLY A 51 0.477 -12.844 1.215 1.00 0.00 O ATOM 0 H GLY A 51 -0.548 -10.307 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.688 -11.489 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.063 -12.129 3.781 1.00 0.00 H new ATOM 799 N ILE A 52 2.598 -12.711 1.990 1.00 0.00 N ATOM 800 CA ILE A 52 3.161 -13.501 0.909 1.00 0.00 C ATOM 801 C ILE A 52 3.168 -14.977 1.311 1.00 0.00 C ATOM 802 O ILE A 52 3.088 -15.857 0.456 1.00 0.00 O ATOM 803 CB ILE A 52 4.539 -12.965 0.515 1.00 0.00 C ATOM 804 CG1 ILE A 52 5.594 -13.350 1.553 1.00 0.00 C ATOM 805 CG2 ILE A 52 4.492 -11.454 0.279 1.00 0.00 C ATOM 806 CD1 ILE A 52 6.940 -13.641 0.885 1.00 0.00 C ATOM 0 H ILE A 52 3.277 -12.386 2.679 1.00 0.00 H new ATOM 0 HA ILE A 52 2.544 -13.417 0.015 1.00 0.00 H new ATOM 0 HB ILE A 52 4.830 -13.429 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.710 -12.542 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.261 -14.228 2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.484 -11.098 0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.788 -11.233 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.170 -10.953 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.672 -13.912 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.826 -14.465 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.281 -12.753 0.353 1.00 0.00 H new ATOM 917 N VAL A 60 4.567 -14.663 6.769 1.00 0.00 N ATOM 918 CA VAL A 60 5.427 -13.964 5.829 1.00 0.00 C ATOM 919 C VAL A 60 4.695 -12.732 5.293 1.00 0.00 C ATOM 920 O VAL A 60 3.710 -12.858 4.566 1.00 0.00 O ATOM 921 CB VAL A 60 5.878 -14.920 4.722 1.00 0.00 C ATOM 922 CG1 VAL A 60 7.145 -14.404 4.036 1.00 0.00 C ATOM 923 CG2 VAL A 60 6.088 -16.333 5.270 1.00 0.00 C ATOM 0 HA VAL A 60 6.331 -13.614 6.327 1.00 0.00 H new ATOM 0 HB VAL A 60 5.086 -14.965 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.445 -15.101 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.948 -13.427 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.946 -14.316 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.408 -16.992 4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.853 -16.312 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.153 -16.703 5.691 1.00 0.00 H new ATOM 933 N TYR A 61 5.204 -11.569 5.672 1.00 0.00 N ATOM 934 CA TYR A 61 4.610 -10.316 5.239 1.00 0.00 C ATOM 935 C TYR A 61 5.650 -9.423 4.559 1.00 0.00 C ATOM 936 O TYR A 61 6.822 -9.434 4.932 1.00 0.00 O ATOM 937 CB TYR A 61 4.114 -9.623 6.510 1.00 0.00 C ATOM 938 CG TYR A 61 2.836 -10.231 7.092 1.00 0.00 C ATOM 939 CD1 TYR A 61 1.615 -9.957 6.510 1.00 0.00 C ATOM 940 CD2 TYR A 61 2.905 -11.053 8.198 1.00 0.00 C ATOM 941 CE1 TYR A 61 0.412 -10.530 7.058 1.00 0.00 C ATOM 942 CE2 TYR A 61 1.703 -11.626 8.745 1.00 0.00 C ATOM 943 CZ TYR A 61 0.516 -11.336 8.148 1.00 0.00 C ATOM 944 OH TYR A 61 -0.620 -11.877 8.666 1.00 0.00 O ATOM 0 H TYR A 61 6.021 -11.468 6.274 1.00 0.00 H new ATOM 0 HA TYR A 61 3.809 -10.498 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.900 -9.664 7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.936 -8.570 6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.561 -9.313 5.644 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.861 -11.267 8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.550 -10.324 6.613 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.743 -12.272 9.610 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.394 -12.432 9.442 1.00 0.00 H new ATOM 954 N ARG A 62 5.183 -8.671 3.573 1.00 0.00 N ATOM 955 CA ARG A 62 6.058 -7.774 2.837 1.00 0.00 C ATOM 956 C ARG A 62 5.380 -6.417 2.637 1.00 0.00 C ATOM 957 O ARG A 62 4.251 -6.348 2.153 1.00 0.00 O ATOM 958 CB ARG A 62 6.425 -8.360 1.472 1.00 0.00 C ATOM 959 CG ARG A 62 7.073 -9.738 1.622 1.00 0.00 C ATOM 960 CD ARG A 62 8.581 -9.664 1.378 1.00 0.00 C ATOM 961 NE ARG A 62 9.304 -9.667 2.669 1.00 0.00 N ATOM 962 CZ ARG A 62 9.567 -8.566 3.385 1.00 0.00 C ATOM 963 NH1 ARG A 62 9.168 -7.366 2.941 1.00 0.00 N ATOM 964 NH2 ARG A 62 10.229 -8.663 4.546 1.00 0.00 N ATOM 0 H ARG A 62 4.210 -8.664 3.267 1.00 0.00 H new ATOM 0 HA ARG A 62 6.969 -7.646 3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.530 -8.440 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.109 -7.687 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.881 -10.127 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.621 -10.435 0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.901 -10.511 0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.823 -8.760 0.818 1.00 0.00 H new ATOM 0 HE ARG A 62 9.622 -10.564 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.664 -7.291 2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.368 -6.528 3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.533 -9.576 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.429 -7.824 5.091 1.00 0.00 H new ATOM 978 N VAL A 63 6.098 -5.371 3.019 1.00 0.00 N ATOM 979 CA VAL A 63 5.580 -4.020 2.888 1.00 0.00 C ATOM 980 C VAL A 63 5.227 -3.754 1.423 1.00 0.00 C ATOM 981 O VAL A 63 5.972 -4.134 0.522 1.00 0.00 O ATOM 982 CB VAL A 63 6.588 -3.016 3.451 1.00 0.00 C ATOM 983 CG1 VAL A 63 6.037 -1.590 3.384 1.00 0.00 C ATOM 984 CG2 VAL A 63 6.986 -3.383 4.882 1.00 0.00 C ATOM 0 H VAL A 63 7.034 -5.432 3.419 1.00 0.00 H new ATOM 0 HA VAL A 63 4.666 -3.904 3.470 1.00 0.00 H new ATOM 0 HB VAL A 63 7.484 -3.058 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.773 -0.896 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.827 -1.330 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.118 -1.527 3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.703 -2.654 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.100 -3.383 5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.438 -4.375 4.891 1.00 0.00 H new ATOM 994 N ALA A 64 4.089 -3.103 1.231 1.00 0.00 N ATOM 995 CA ALA A 64 3.627 -2.782 -0.109 1.00 0.00 C ATOM 996 C ALA A 64 2.934 -1.418 -0.092 1.00 0.00 C ATOM 997 O ALA A 64 2.144 -1.130 0.806 1.00 0.00 O ATOM 998 CB ALA A 64 2.708 -3.896 -0.613 1.00 0.00 C ATOM 0 H ALA A 64 3.473 -2.789 1.981 1.00 0.00 H new ATOM 0 HA ALA A 64 4.468 -2.716 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.362 -3.655 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.256 -4.838 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.851 -3.990 0.054 1.00 0.00 H new ATOM 1004 N GLU A 65 3.256 -0.614 -1.095 1.00 0.00 N ATOM 1005 CA GLU A 65 2.675 0.713 -1.206 1.00 0.00 C ATOM 1006 C GLU A 65 1.560 0.718 -2.254 1.00 0.00 C ATOM 1007 O GLU A 65 1.723 0.166 -3.341 1.00 0.00 O ATOM 1008 CB GLU A 65 3.745 1.754 -1.540 1.00 0.00 C ATOM 1009 CG GLU A 65 3.137 3.156 -1.628 1.00 0.00 C ATOM 1010 CD GLU A 65 4.154 4.161 -2.173 1.00 0.00 C ATOM 1011 OE1 GLU A 65 4.743 3.854 -3.232 1.00 0.00 O ATOM 1012 OE2 GLU A 65 4.319 5.213 -1.519 1.00 0.00 O ATOM 0 H GLU A 65 3.912 -0.856 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 65 2.243 0.981 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.523 1.738 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.222 1.500 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.259 3.136 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.800 3.473 -0.641 1.00 0.00 H new ATOM 1019 N ILE A 66 0.452 1.347 -1.891 1.00 0.00 N ATOM 1020 CA ILE A 66 -0.689 1.430 -2.786 1.00 0.00 C ATOM 1021 C ILE A 66 -0.374 2.411 -3.917 1.00 0.00 C ATOM 1022 O ILE A 66 -0.048 3.570 -3.666 1.00 0.00 O ATOM 1023 CB ILE A 66 -1.958 1.780 -2.005 1.00 0.00 C ATOM 1024 CG1 ILE A 66 -2.042 0.976 -0.706 1.00 0.00 C ATOM 1025 CG2 ILE A 66 -3.204 1.597 -2.874 1.00 0.00 C ATOM 1026 CD1 ILE A 66 -3.416 1.132 -0.052 1.00 0.00 C ATOM 0 H ILE A 66 0.320 1.804 -0.989 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.882 0.462 -3.247 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.910 2.833 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.851 -0.077 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.267 1.311 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.092 1.852 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.139 2.249 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.270 0.559 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.449 0.550 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.593 2.183 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.187 0.774 -0.735 1.00 0.00 H new ATOM 1038 N THR A 67 -0.482 1.910 -5.139 1.00 0.00 N ATOM 1039 CA THR A 67 -0.212 2.727 -6.310 1.00 0.00 C ATOM 1040 C THR A 67 -1.507 3.006 -7.075 1.00 0.00 C ATOM 1041 O THR A 67 -1.509 3.763 -8.044 1.00 0.00 O ATOM 1042 CB THR A 67 0.849 2.013 -7.150 1.00 0.00 C ATOM 1043 OG1 THR A 67 0.133 0.963 -7.795 1.00 0.00 O ATOM 1044 CG2 THR A 67 1.884 1.285 -6.290 1.00 0.00 C ATOM 0 H THR A 67 -0.753 0.948 -5.344 1.00 0.00 H new ATOM 0 HA THR A 67 0.179 3.705 -6.029 1.00 0.00 H new ATOM 0 HB THR A 67 1.353 2.737 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.746 0.450 -8.362 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.613 0.795 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.393 2.003 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.384 0.537 -5.674 1.00 0.00 H new ATOM 1052 N GLY A 68 -2.578 2.378 -6.611 1.00 0.00 N ATOM 1053 CA GLY A 68 -3.876 2.549 -7.240 1.00 0.00 C ATOM 1054 C GLY A 68 -4.825 1.412 -6.857 1.00 0.00 C ATOM 1055 O GLY A 68 -4.486 0.567 -6.030 1.00 0.00 O ATOM 0 H GLY A 68 -2.573 1.750 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.307 3.504 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.758 2.580 -8.323 1.00 0.00 H new ATOM 1059 N VAL A 69 -5.996 1.427 -7.477 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.997 0.407 -7.211 1.00 0.00 C ATOM 1061 C VAL A 69 -7.565 -0.101 -8.538 1.00 0.00 C ATOM 1062 O VAL A 69 -8.134 0.669 -9.309 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.071 0.960 -6.273 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -9.208 -0.047 -6.088 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -7.469 1.361 -4.925 1.00 0.00 C ATOM 0 H VAL A 69 -6.274 2.129 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.548 -0.446 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.488 1.856 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.958 0.371 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.665 -0.262 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.812 -0.968 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.254 1.751 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.012 0.489 -4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.711 2.129 -5.079 1.00 0.00 H new ATOM 1075 N VAL A 70 -7.391 -1.396 -8.762 1.00 0.00 N ATOM 1076 CA VAL A 70 -7.880 -2.016 -9.982 1.00 0.00 C ATOM 1077 C VAL A 70 -9.224 -2.691 -9.702 1.00 0.00 C ATOM 1078 O VAL A 70 -9.690 -2.706 -8.564 1.00 0.00 O ATOM 1079 CB VAL A 70 -6.830 -2.982 -10.535 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -5.554 -2.236 -10.930 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -6.525 -4.095 -9.530 1.00 0.00 C ATOM 0 H VAL A 70 -6.919 -2.032 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.048 -1.263 -10.752 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.240 -3.445 -11.433 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.824 -2.945 -11.320 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.787 -1.497 -11.696 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.141 -1.734 -10.055 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.776 -4.767 -9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.145 -3.658 -8.607 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.437 -4.654 -9.318 1.00 0.00 H new ATOM 1091 N GLU A 71 -9.810 -3.232 -10.761 1.00 0.00 N ATOM 1092 CA GLU A 71 -11.092 -3.906 -10.644 1.00 0.00 C ATOM 1093 C GLU A 71 -10.974 -5.356 -11.117 1.00 0.00 C ATOM 1094 O GLU A 71 -10.128 -5.673 -11.952 1.00 0.00 O ATOM 1095 CB GLU A 71 -12.176 -3.161 -11.424 1.00 0.00 C ATOM 1096 CG GLU A 71 -12.858 -2.108 -10.547 1.00 0.00 C ATOM 1097 CD GLU A 71 -14.380 -2.194 -10.671 1.00 0.00 C ATOM 1098 OE1 GLU A 71 -14.848 -2.360 -11.818 1.00 0.00 O ATOM 1099 OE2 GLU A 71 -15.042 -2.090 -9.616 1.00 0.00 O ATOM 0 H GLU A 71 -9.420 -3.217 -11.704 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.384 -3.910 -9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.735 -2.681 -12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.918 -3.870 -11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.566 -2.251 -9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.521 -1.113 -10.839 1.00 0.00 H new ATOM 1106 N THR A 72 -11.834 -6.198 -10.564 1.00 0.00 N ATOM 1107 CA THR A 72 -11.837 -7.607 -10.920 1.00 0.00 C ATOM 1108 C THR A 72 -13.244 -8.052 -11.324 1.00 0.00 C ATOM 1109 O THR A 72 -14.190 -7.267 -11.260 1.00 0.00 O ATOM 1110 CB THR A 72 -11.268 -8.394 -9.738 1.00 0.00 C ATOM 1111 OG1 THR A 72 -12.147 -8.086 -8.659 1.00 0.00 O ATOM 1112 CG2 THR A 72 -9.911 -7.857 -9.276 1.00 0.00 C ATOM 0 H THR A 72 -12.534 -5.932 -9.872 1.00 0.00 H new ATOM 0 HA THR A 72 -11.208 -7.796 -11.789 1.00 0.00 H new ATOM 0 HB THR A 72 -11.169 -9.443 -10.016 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.696 -8.870 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.552 -8.451 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.196 -7.920 -10.096 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.017 -6.817 -8.967 1.00 0.00 H new ATOM 1120 N ALA A 73 -13.338 -9.309 -11.732 1.00 0.00 N ATOM 1121 CA ALA A 73 -14.613 -9.867 -12.147 1.00 0.00 C ATOM 1122 C ALA A 73 -15.193 -10.707 -11.007 1.00 0.00 C ATOM 1123 O ALA A 73 -16.410 -10.814 -10.867 1.00 0.00 O ATOM 1124 CB ALA A 73 -14.422 -10.679 -13.430 1.00 0.00 C ATOM 0 H ALA A 73 -12.552 -9.957 -11.784 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.326 -9.072 -12.367 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -15.379 -11.098 -13.741 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.036 -10.031 -14.217 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.714 -11.488 -13.247 1.00 0.00 H new ATOM 1130 N LYS A 74 -14.294 -11.280 -10.221 1.00 0.00 N ATOM 1131 CA LYS A 74 -14.701 -12.107 -9.097 1.00 0.00 C ATOM 1132 C LYS A 74 -14.806 -11.238 -7.842 1.00 0.00 C ATOM 1133 O LYS A 74 -14.051 -10.280 -7.680 1.00 0.00 O ATOM 1134 CB LYS A 74 -13.757 -13.301 -8.940 1.00 0.00 C ATOM 1135 CG LYS A 74 -13.943 -14.300 -10.084 1.00 0.00 C ATOM 1136 CD LYS A 74 -14.159 -15.716 -9.545 1.00 0.00 C ATOM 1137 CE LYS A 74 -14.776 -16.621 -10.613 1.00 0.00 C ATOM 1138 NZ LYS A 74 -13.721 -17.208 -11.468 1.00 0.00 N ATOM 0 H LYS A 74 -13.285 -11.188 -10.340 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.689 -12.532 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.724 -12.953 -8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.945 -13.795 -7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.797 -14.005 -10.694 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.067 -14.283 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.207 -16.133 -9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.811 -15.681 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.350 -17.416 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.472 -16.048 -11.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.157 -17.819 -12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.190 -16.446 -11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.073 -17.772 -10.882 1.00 0.00 H new ATOM 1152 N VAL A 75 -15.750 -11.602 -6.986 1.00 0.00 N ATOM 1153 CA VAL A 75 -15.964 -10.867 -5.751 1.00 0.00 C ATOM 1154 C VAL A 75 -15.624 -11.768 -4.562 1.00 0.00 C ATOM 1155 O VAL A 75 -15.822 -12.981 -4.621 1.00 0.00 O ATOM 1156 CB VAL A 75 -17.395 -10.329 -5.704 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -17.778 -9.915 -4.281 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -17.575 -9.165 -6.681 1.00 0.00 C ATOM 0 H VAL A 75 -16.375 -12.396 -7.124 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.304 -10.001 -5.702 1.00 0.00 H new ATOM 0 HB VAL A 75 -18.066 -11.131 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.800 -9.536 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.707 -10.778 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -17.100 -9.135 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -18.601 -8.801 -6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.890 -8.359 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -17.362 -9.505 -7.695 1.00 0.00 H new ATOM 1168 N TYR A 76 -15.120 -11.141 -3.510 1.00 0.00 N ATOM 1169 CA TYR A 76 -14.751 -11.870 -2.308 1.00 0.00 C ATOM 1170 C TYR A 76 -15.220 -11.132 -1.053 1.00 0.00 C ATOM 1171 O TYR A 76 -15.415 -9.918 -1.079 1.00 0.00 O ATOM 1172 CB TYR A 76 -13.223 -11.936 -2.307 1.00 0.00 C ATOM 1173 CG TYR A 76 -12.541 -10.571 -2.426 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -12.429 -9.757 -1.318 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -12.039 -10.154 -3.642 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -11.788 -8.472 -1.430 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -11.398 -8.870 -3.754 1.00 0.00 C ATOM 1178 CZ TYR A 76 -11.304 -8.092 -2.643 1.00 0.00 C ATOM 1179 OH TYR A 76 -10.698 -6.879 -2.749 1.00 0.00 O ATOM 0 H TYR A 76 -14.958 -10.135 -3.465 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.211 -12.858 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.891 -12.418 -1.387 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.896 -12.567 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.822 -10.083 -0.366 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.127 -10.791 -4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.694 -7.825 -0.570 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.001 -8.532 -4.700 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.630 -6.629 -3.694 1.00 0.00 H new ATOM 1189 N GLN A 77 -15.385 -11.895 0.017 1.00 0.00 N ATOM 1190 CA GLN A 77 -15.827 -11.329 1.280 1.00 0.00 C ATOM 1191 C GLN A 77 -14.716 -10.476 1.896 1.00 0.00 C ATOM 1192 O GLN A 77 -13.536 -10.700 1.629 1.00 0.00 O ATOM 1193 CB GLN A 77 -16.276 -12.426 2.246 1.00 0.00 C ATOM 1194 CG GLN A 77 -17.197 -11.861 3.329 1.00 0.00 C ATOM 1195 CD GLN A 77 -17.557 -12.934 4.359 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -18.000 -14.022 4.030 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -17.341 -12.568 5.619 1.00 0.00 N ATOM 0 H GLN A 77 -15.220 -12.901 0.035 1.00 0.00 H new ATOM 0 HA GLN A 77 -16.687 -10.688 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -16.795 -13.210 1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -15.404 -12.886 2.710 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -16.708 -11.024 3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -18.106 -11.472 2.871 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -16.968 -11.641 5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -17.548 -13.214 6.380 1.00 0.00 H new ATOM 1206 N LEU A 78 -15.132 -9.517 2.710 1.00 0.00 N ATOM 1207 CA LEU A 78 -14.187 -8.630 3.366 1.00 0.00 C ATOM 1208 C LEU A 78 -14.810 -8.093 4.657 1.00 0.00 C ATOM 1209 O LEU A 78 -15.486 -7.065 4.643 1.00 0.00 O ATOM 1210 CB LEU A 78 -13.724 -7.534 2.405 1.00 0.00 C ATOM 1211 CG LEU A 78 -13.023 -6.333 3.043 1.00 0.00 C ATOM 1212 CD1 LEU A 78 -11.579 -6.675 3.416 1.00 0.00 C ATOM 1213 CD2 LEU A 78 -13.105 -5.104 2.136 1.00 0.00 C ATOM 0 H LEU A 78 -16.111 -9.335 2.930 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.286 -9.175 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.047 -7.980 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.592 -7.172 1.854 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.544 -6.086 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.104 -5.804 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.573 -7.501 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.030 -6.964 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.599 -4.265 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.624 -5.323 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.150 -4.847 1.965 1.00 0.00 H new ATOM 1225 N GLY A 79 -14.560 -8.812 5.741 1.00 0.00 N ATOM 1226 CA GLY A 79 -15.087 -8.421 7.037 1.00 0.00 C ATOM 1227 C GLY A 79 -16.617 -8.458 7.040 1.00 0.00 C ATOM 1228 O GLY A 79 -17.252 -7.930 7.951 1.00 0.00 O ATOM 0 H GLY A 79 -13.999 -9.664 5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.702 -9.089 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.743 -7.417 7.286 1.00 0.00 H new ATOM 1232 N GLY A 80 -17.164 -9.088 6.011 1.00 0.00 N ATOM 1233 CA GLY A 80 -18.607 -9.202 5.883 1.00 0.00 C ATOM 1234 C GLY A 80 -19.080 -8.677 4.526 1.00 0.00 C ATOM 1235 O GLY A 80 -19.951 -9.274 3.895 1.00 0.00 O ATOM 0 H GLY A 80 -16.633 -9.525 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.905 -10.244 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -19.092 -8.642 6.683 1.00 0.00 H new ATOM 1239 N THR A 81 -18.485 -7.566 4.117 1.00 0.00 N ATOM 1240 CA THR A 81 -18.835 -6.955 2.846 1.00 0.00 C ATOM 1241 C THR A 81 -18.054 -7.610 1.705 1.00 0.00 C ATOM 1242 O THR A 81 -16.901 -8.001 1.883 1.00 0.00 O ATOM 1243 CB THR A 81 -18.592 -5.449 2.963 1.00 0.00 C ATOM 1244 OG1 THR A 81 -19.180 -4.909 1.782 1.00 0.00 O ATOM 1245 CG2 THR A 81 -17.111 -5.084 2.842 1.00 0.00 C ATOM 0 H THR A 81 -17.763 -7.073 4.643 1.00 0.00 H new ATOM 0 HA THR A 81 -19.887 -7.112 2.608 1.00 0.00 H new ATOM 0 HB THR A 81 -18.977 -5.093 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.069 -3.935 1.777 1.00 0.00 H new ATOM 0 HG21 THR A 81 -16.994 -4.004 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.549 -5.577 3.635 1.00 0.00 H new ATOM 0 HG23 THR A 81 -16.734 -5.410 1.873 1.00 0.00 H new ATOM 1253 N ARG A 82 -18.712 -7.710 0.560 1.00 0.00 N ATOM 1254 CA ARG A 82 -18.094 -8.311 -0.609 1.00 0.00 C ATOM 1255 C ARG A 82 -17.684 -7.227 -1.609 1.00 0.00 C ATOM 1256 O ARG A 82 -18.538 -6.557 -2.188 1.00 0.00 O ATOM 1257 CB ARG A 82 -19.047 -9.292 -1.293 1.00 0.00 C ATOM 1258 CG ARG A 82 -18.688 -10.738 -0.944 1.00 0.00 C ATOM 1259 CD ARG A 82 -19.145 -11.698 -2.045 1.00 0.00 C ATOM 1260 NE ARG A 82 -20.174 -12.621 -1.516 1.00 0.00 N ATOM 1261 CZ ARG A 82 -20.698 -13.639 -2.212 1.00 0.00 C ATOM 1262 NH1 ARG A 82 -20.293 -13.871 -3.468 1.00 0.00 N ATOM 1263 NH2 ARG A 82 -21.628 -14.426 -1.652 1.00 0.00 N ATOM 0 H ARG A 82 -19.668 -7.385 0.417 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.210 -8.855 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -20.072 -9.083 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -19.004 -9.153 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.610 -10.825 -0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -19.155 -11.014 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -19.548 -11.134 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.294 -12.266 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.505 -12.473 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.586 -13.273 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.692 -14.646 -3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.937 -14.250 -0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.027 -15.201 -2.182 1.00 0.00 H new ATOM 1277 N THR A 83 -16.378 -7.089 -1.782 1.00 0.00 N ATOM 1278 CA THR A 83 -15.845 -6.099 -2.701 1.00 0.00 C ATOM 1279 C THR A 83 -15.146 -6.784 -3.877 1.00 0.00 C ATOM 1280 O THR A 83 -14.888 -7.986 -3.835 1.00 0.00 O ATOM 1281 CB THR A 83 -14.928 -5.164 -1.910 1.00 0.00 C ATOM 1282 OG1 THR A 83 -14.583 -4.144 -2.844 1.00 0.00 O ATOM 1283 CG2 THR A 83 -13.589 -5.816 -1.560 1.00 0.00 C ATOM 0 H THR A 83 -15.673 -7.647 -1.301 1.00 0.00 H new ATOM 0 HA THR A 83 -16.642 -5.500 -3.142 1.00 0.00 H new ATOM 0 HB THR A 83 -15.431 -4.852 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.715 -3.265 -2.432 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.976 -5.110 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 83 -13.765 -6.705 -0.955 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.071 -6.098 -2.477 1.00 0.00 H new ATOM 1291 N ASN A 84 -14.860 -5.990 -4.899 1.00 0.00 N ATOM 1292 CA ASN A 84 -14.197 -6.506 -6.084 1.00 0.00 C ATOM 1293 C ASN A 84 -13.182 -5.475 -6.583 1.00 0.00 C ATOM 1294 O ASN A 84 -13.107 -5.202 -7.780 1.00 0.00 O ATOM 1295 CB ASN A 84 -15.200 -6.764 -7.209 1.00 0.00 C ATOM 1296 CG ASN A 84 -15.676 -5.450 -7.832 1.00 0.00 C ATOM 1297 OD1 ASN A 84 -16.231 -4.586 -7.173 1.00 0.00 O ATOM 1298 ND2 ASN A 84 -15.429 -5.348 -9.135 1.00 0.00 N ATOM 0 H ASN A 84 -15.075 -4.994 -4.930 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.708 -7.443 -5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.740 -7.388 -7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -16.055 -7.316 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.708 -4.509 -9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.960 -6.109 -9.626 1.00 0.00 H new ATOM 1305 N LYS A 85 -12.426 -4.931 -5.641 1.00 0.00 N ATOM 1306 CA LYS A 85 -11.419 -3.937 -5.970 1.00 0.00 C ATOM 1307 C LYS A 85 -10.033 -4.488 -5.626 1.00 0.00 C ATOM 1308 O LYS A 85 -9.750 -4.786 -4.467 1.00 0.00 O ATOM 1309 CB LYS A 85 -11.738 -2.605 -5.289 1.00 0.00 C ATOM 1310 CG LYS A 85 -12.876 -1.879 -6.010 1.00 0.00 C ATOM 1311 CD LYS A 85 -12.978 -0.424 -5.548 1.00 0.00 C ATOM 1312 CE LYS A 85 -12.889 0.536 -6.735 1.00 0.00 C ATOM 1313 NZ LYS A 85 -13.932 0.219 -7.736 1.00 0.00 N ATOM 0 H LYS A 85 -12.491 -5.160 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.423 -3.730 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.015 -2.781 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.848 -1.975 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.708 -1.912 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -13.818 -2.392 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.920 -0.271 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.179 -0.207 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.008 1.563 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.903 0.466 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.210 1.088 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.558 -0.469 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.762 -0.185 -7.257 1.00 0.00 H new ATOM 1327 N GLY A 86 -9.206 -4.605 -6.654 1.00 0.00 N ATOM 1328 CA GLY A 86 -7.857 -5.114 -6.475 1.00 0.00 C ATOM 1329 C GLY A 86 -6.909 -4.005 -6.016 1.00 0.00 C ATOM 1330 O GLY A 86 -6.664 -3.049 -6.750 1.00 0.00 O ATOM 0 H GLY A 86 -9.444 -4.356 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.863 -5.919 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.498 -5.540 -7.412 1.00 0.00 H new ATOM 1334 N LEU A 87 -6.401 -4.169 -4.803 1.00 0.00 N ATOM 1335 CA LEU A 87 -5.485 -3.194 -4.237 1.00 0.00 C ATOM 1336 C LEU A 87 -4.152 -3.258 -4.985 1.00 0.00 C ATOM 1337 O LEU A 87 -3.436 -4.255 -4.901 1.00 0.00 O ATOM 1338 CB LEU A 87 -5.352 -3.397 -2.726 1.00 0.00 C ATOM 1339 CG LEU A 87 -6.100 -2.393 -1.846 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -5.718 -2.562 -0.375 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -5.875 -0.961 -2.336 1.00 0.00 C ATOM 0 H LEU A 87 -6.607 -4.963 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.876 -2.185 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.706 -4.399 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.294 -3.360 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.168 -2.597 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.264 -1.836 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.971 -3.570 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.647 -2.400 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.417 -0.267 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.811 -0.729 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.237 -0.866 -3.360 1.00 0.00 H new ATOM 1353 N GLN A 88 -3.859 -2.182 -5.700 1.00 0.00 N ATOM 1354 CA GLN A 88 -2.624 -2.103 -6.463 1.00 0.00 C ATOM 1355 C GLN A 88 -1.449 -1.777 -5.538 1.00 0.00 C ATOM 1356 O GLN A 88 -1.230 -0.617 -5.193 1.00 0.00 O ATOM 1357 CB GLN A 88 -2.739 -1.073 -7.588 1.00 0.00 C ATOM 1358 CG GLN A 88 -2.217 -1.642 -8.908 1.00 0.00 C ATOM 1359 CD GLN A 88 -2.353 -0.620 -10.038 1.00 0.00 C ATOM 1360 OE1 GLN A 88 -3.573 -0.101 -10.154 1.00 0.00 O flip ATOM 1361 NE2 GLN A 88 -1.414 -0.322 -10.757 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.455 -1.357 -5.767 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.441 -3.074 -6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.780 -0.771 -7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.175 -0.178 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.171 -1.929 -8.796 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.770 -2.546 -9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.503 -0.758 -10.614 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.539 0.364 -11.502 1.00 0.00 H new ATOM 1370 N LEU A 89 -0.725 -2.821 -5.164 1.00 0.00 N ATOM 1371 CA LEU A 89 0.422 -2.660 -4.286 1.00 0.00 C ATOM 1372 C LEU A 89 1.708 -2.794 -5.105 1.00 0.00 C ATOM 1373 O LEU A 89 1.747 -3.530 -6.090 1.00 0.00 O ATOM 1374 CB LEU A 89 0.338 -3.635 -3.110 1.00 0.00 C ATOM 1375 CG LEU A 89 -1.028 -3.747 -2.429 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -0.936 -4.582 -1.150 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -1.626 -2.363 -2.167 1.00 0.00 C ATOM 0 H LEU A 89 -0.910 -3.782 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 89 0.427 -1.664 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.629 -4.625 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.072 -3.335 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.705 -4.267 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.920 -4.646 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.584 -5.584 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.238 -4.111 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.596 -2.472 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.958 -1.795 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.750 -1.835 -3.113 1.00 0.00 H new ATOM 1389 N ARG A 90 2.728 -2.071 -4.667 1.00 0.00 N ATOM 1390 CA ARG A 90 4.012 -2.100 -5.347 1.00 0.00 C ATOM 1391 C ARG A 90 5.138 -2.356 -4.343 1.00 0.00 C ATOM 1392 O ARG A 90 5.338 -1.572 -3.416 1.00 0.00 O ATOM 1393 CB ARG A 90 4.278 -0.783 -6.077 1.00 0.00 C ATOM 1394 CG ARG A 90 5.602 -0.838 -6.843 1.00 0.00 C ATOM 1395 CD ARG A 90 6.284 0.531 -6.858 1.00 0.00 C ATOM 1396 NE ARG A 90 6.382 1.033 -8.246 1.00 0.00 N ATOM 1397 CZ ARG A 90 7.052 2.138 -8.600 1.00 0.00 C ATOM 1398 NH1 ARG A 90 7.688 2.864 -7.670 1.00 0.00 N ATOM 1399 NH2 ARG A 90 7.087 2.518 -9.885 1.00 0.00 N ATOM 0 H ARG A 90 2.692 -1.462 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 90 3.982 -2.908 -6.078 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.462 -0.575 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.303 0.036 -5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.263 -1.572 -6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.421 -1.169 -7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.718 1.235 -6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.279 0.456 -6.419 1.00 0.00 H new ATOM 0 HE ARG A 90 5.910 0.505 -8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.662 2.575 -6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.198 3.705 -7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.604 1.966 -10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.597 3.359 -10.154 1.00 0.00 H new ATOM 1413 N HIS A 91 5.845 -3.454 -4.563 1.00 0.00 N ATOM 1414 CA HIS A 91 6.946 -3.823 -3.689 1.00 0.00 C ATOM 1415 C HIS A 91 8.272 -3.642 -4.431 1.00 0.00 C ATOM 1416 O HIS A 91 8.670 -4.501 -5.216 1.00 0.00 O ATOM 1417 CB HIS A 91 6.759 -5.241 -3.146 1.00 0.00 C ATOM 1418 CG HIS A 91 7.951 -5.771 -2.386 1.00 0.00 C ATOM 1419 ND1 HIS A 91 7.968 -5.891 -1.008 1.00 0.00 N ATOM 1420 CD2 HIS A 91 9.165 -6.211 -2.827 1.00 0.00 C ATOM 1421 CE1 HIS A 91 9.145 -6.381 -0.645 1.00 0.00 C ATOM 1422 NE2 HIS A 91 9.885 -6.579 -1.774 1.00 0.00 N ATOM 0 H HIS A 91 5.677 -4.101 -5.334 1.00 0.00 H new ATOM 0 HA HIS A 91 6.962 -3.164 -2.821 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.888 -5.256 -2.491 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.544 -5.912 -3.978 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.205 -5.644 -0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 91 9.486 -6.253 -3.857 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.462 -6.587 0.367 1.00 0.00 H new ATOM 1430 N GLY A 92 8.920 -2.520 -4.155 1.00 0.00 N ATOM 1431 CA GLY A 92 10.193 -2.216 -4.786 1.00 0.00 C ATOM 1432 C GLY A 92 9.989 -1.716 -6.218 1.00 0.00 C ATOM 1433 O GLY A 92 9.176 -0.825 -6.459 1.00 0.00 O ATOM 0 H GLY A 92 8.587 -1.810 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.720 -1.460 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.821 -3.107 -4.794 1.00 0.00 H new ATOM 1437 N ASN A 93 10.742 -2.312 -7.131 1.00 0.00 N ATOM 1438 CA ASN A 93 10.654 -1.939 -8.533 1.00 0.00 C ATOM 1439 C ASN A 93 9.681 -2.879 -9.247 1.00 0.00 C ATOM 1440 O ASN A 93 9.696 -2.980 -10.472 1.00 0.00 O ATOM 1441 CB ASN A 93 12.016 -2.057 -9.220 1.00 0.00 C ATOM 1442 CG ASN A 93 12.649 -3.424 -8.952 1.00 0.00 C ATOM 1443 OD1 ASN A 93 11.975 -4.429 -8.793 1.00 0.00 O ATOM 1444 ND2 ASN A 93 13.978 -3.406 -8.912 1.00 0.00 N ATOM 0 H ASN A 93 11.416 -3.050 -6.927 1.00 0.00 H new ATOM 0 HA ASN A 93 10.311 -0.906 -8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.900 -1.911 -10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.678 -1.269 -8.861 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.495 -4.268 -8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 93 14.481 -2.530 -9.053 1.00 0.00 H new ATOM 1451 N ASP A 94 8.857 -3.544 -8.449 1.00 0.00 N ATOM 1452 CA ASP A 94 7.879 -4.472 -8.990 1.00 0.00 C ATOM 1453 C ASP A 94 6.486 -4.089 -8.485 1.00 0.00 C ATOM 1454 O ASP A 94 6.342 -3.589 -7.371 1.00 0.00 O ATOM 1455 CB ASP A 94 8.169 -5.904 -8.536 1.00 0.00 C ATOM 1456 CG ASP A 94 8.746 -6.820 -9.616 1.00 0.00 C ATOM 1457 OD1 ASP A 94 8.360 -6.627 -10.790 1.00 0.00 O ATOM 1458 OD2 ASP A 94 9.560 -7.693 -9.245 1.00 0.00 O ATOM 0 H ASP A 94 8.847 -3.458 -7.433 1.00 0.00 H new ATOM 0 HA ASP A 94 7.931 -4.421 -10.078 1.00 0.00 H new ATOM 0 HB2 ASP A 94 8.867 -5.870 -7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.245 -6.345 -8.163 1.00 0.00 H new ATOM 1463 N GLN A 95 5.497 -4.339 -9.330 1.00 0.00 N ATOM 1464 CA GLN A 95 4.120 -4.027 -8.983 1.00 0.00 C ATOM 1465 C GLN A 95 3.333 -5.314 -8.725 1.00 0.00 C ATOM 1466 O GLN A 95 3.675 -6.371 -9.251 1.00 0.00 O ATOM 1467 CB GLN A 95 3.456 -3.189 -10.077 1.00 0.00 C ATOM 1468 CG GLN A 95 1.932 -3.233 -9.953 1.00 0.00 C ATOM 1469 CD GLN A 95 1.267 -2.420 -11.065 1.00 0.00 C ATOM 1470 OE1 GLN A 95 1.341 -1.203 -11.108 1.00 0.00 O ATOM 1471 NE2 GLN A 95 0.616 -3.158 -11.960 1.00 0.00 N ATOM 0 H GLN A 95 5.621 -4.754 -10.254 1.00 0.00 H new ATOM 0 HA GLN A 95 4.121 -3.435 -8.068 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.800 -2.157 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.755 -3.561 -11.057 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.590 -4.267 -9.999 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.631 -2.841 -8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.594 -4.173 -11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.139 -2.709 -12.742 1.00 0.00 H new ATOM 1480 N ARG A 96 2.294 -5.181 -7.914 1.00 0.00 N ATOM 1481 CA ARG A 96 1.456 -6.319 -7.579 1.00 0.00 C ATOM 1482 C ARG A 96 -0.005 -5.883 -7.451 1.00 0.00 C ATOM 1483 O ARG A 96 -0.313 -4.696 -7.546 1.00 0.00 O ATOM 1484 CB ARG A 96 1.904 -6.967 -6.268 1.00 0.00 C ATOM 1485 CG ARG A 96 3.072 -7.927 -6.501 1.00 0.00 C ATOM 1486 CD ARG A 96 3.979 -7.997 -5.272 1.00 0.00 C ATOM 1487 NE ARG A 96 5.395 -8.098 -5.692 1.00 0.00 N ATOM 1488 CZ ARG A 96 6.384 -8.535 -4.901 1.00 0.00 C ATOM 1489 NH1 ARG A 96 6.118 -8.915 -3.644 1.00 0.00 N ATOM 1490 NH2 ARG A 96 7.639 -8.593 -5.367 1.00 0.00 N ATOM 0 H ARG A 96 2.014 -4.302 -7.479 1.00 0.00 H new ATOM 0 HA ARG A 96 1.552 -7.049 -8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.200 -6.194 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.069 -7.507 -5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.689 -8.921 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.650 -7.599 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.837 -7.110 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.710 -8.858 -4.660 1.00 0.00 H new ATOM 0 HE ARG A 96 5.633 -7.817 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.163 -8.872 -3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.871 -9.248 -3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.841 -8.304 -6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.392 -8.926 -4.765 1.00 0.00 H new ATOM 1504 N VAL A 97 -0.867 -6.867 -7.238 1.00 0.00 N ATOM 1505 CA VAL A 97 -2.288 -6.600 -7.096 1.00 0.00 C ATOM 1506 C VAL A 97 -2.904 -7.632 -6.149 1.00 0.00 C ATOM 1507 O VAL A 97 -3.057 -8.798 -6.509 1.00 0.00 O ATOM 1508 CB VAL A 97 -2.956 -6.578 -8.473 1.00 0.00 C ATOM 1509 CG1 VAL A 97 -4.478 -6.494 -8.342 1.00 0.00 C ATOM 1510 CG2 VAL A 97 -2.415 -5.430 -9.327 1.00 0.00 C ATOM 0 H VAL A 97 -0.608 -7.851 -7.160 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.450 -5.617 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.714 -7.513 -8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.928 -6.480 -9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.844 -7.360 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.748 -5.583 -7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.906 -5.437 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.612 -4.481 -8.828 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.340 -5.552 -9.462 1.00 0.00 H new ATOM 1520 N PHE A 98 -3.242 -7.165 -4.956 1.00 0.00 N ATOM 1521 CA PHE A 98 -3.838 -8.032 -3.954 1.00 0.00 C ATOM 1522 C PHE A 98 -5.271 -7.598 -3.636 1.00 0.00 C ATOM 1523 O PHE A 98 -5.841 -6.766 -4.339 1.00 0.00 O ATOM 1524 CB PHE A 98 -2.987 -7.905 -2.689 1.00 0.00 C ATOM 1525 CG PHE A 98 -1.535 -8.352 -2.869 1.00 0.00 C ATOM 1526 CD1 PHE A 98 -0.603 -7.472 -3.323 1.00 0.00 C ATOM 1527 CD2 PHE A 98 -1.175 -9.631 -2.575 1.00 0.00 C ATOM 1528 CE1 PHE A 98 0.744 -7.887 -3.490 1.00 0.00 C ATOM 1529 CE2 PHE A 98 0.172 -10.046 -2.742 1.00 0.00 C ATOM 1530 CZ PHE A 98 1.104 -9.165 -3.196 1.00 0.00 C ATOM 0 H PHE A 98 -3.114 -6.197 -4.661 1.00 0.00 H new ATOM 0 HA PHE A 98 -3.870 -9.058 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.998 -6.866 -2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.443 -8.497 -1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.888 -6.457 -3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.915 -10.331 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.483 -7.187 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.457 -11.061 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.129 -9.480 -3.323 1.00 0.00 H new ATOM 1540 N ARG A 99 -5.810 -8.183 -2.576 1.00 0.00 N ATOM 1541 CA ARG A 99 -7.165 -7.867 -2.157 1.00 0.00 C ATOM 1542 C ARG A 99 -7.162 -7.299 -0.736 1.00 0.00 C ATOM 1543 O ARG A 99 -6.177 -7.434 -0.012 1.00 0.00 O ATOM 1544 CB ARG A 99 -8.058 -9.109 -2.200 1.00 0.00 C ATOM 1545 CG ARG A 99 -8.160 -9.662 -3.623 1.00 0.00 C ATOM 1546 CD ARG A 99 -8.765 -11.067 -3.622 1.00 0.00 C ATOM 1547 NE ARG A 99 -8.250 -11.840 -4.774 1.00 0.00 N ATOM 1548 CZ ARG A 99 -8.820 -12.958 -5.244 1.00 0.00 C ATOM 1549 NH1 ARG A 99 -9.928 -13.440 -4.664 1.00 0.00 N ATOM 1550 NH2 ARG A 99 -8.283 -13.594 -6.295 1.00 0.00 N ATOM 0 H ARG A 99 -5.333 -8.873 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.561 -7.124 -2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.655 -9.874 -1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.053 -8.859 -1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.774 -8.998 -4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.170 -9.689 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.518 -11.578 -2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.852 -11.004 -3.672 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.408 -11.501 -5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.337 -12.956 -3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.362 -14.291 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.440 -13.227 -6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.717 -14.445 -6.652 1.00 0.00 H new ATOM 1564 N LEU A 100 -8.275 -6.674 -0.381 1.00 0.00 N ATOM 1565 CA LEU A 100 -8.413 -6.084 0.940 1.00 0.00 C ATOM 1566 C LEU A 100 -8.311 -7.184 1.998 1.00 0.00 C ATOM 1567 O LEU A 100 -7.779 -6.959 3.084 1.00 0.00 O ATOM 1568 CB LEU A 100 -9.701 -5.263 1.028 1.00 0.00 C ATOM 1569 CG LEU A 100 -9.661 -3.880 0.374 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -9.361 -3.990 -1.122 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -10.954 -3.108 0.644 1.00 0.00 C ATOM 0 H LEU A 100 -9.090 -6.563 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.601 -5.382 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.506 -5.837 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.958 -5.138 2.080 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.847 -3.312 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.338 -2.993 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.394 -4.472 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.137 -4.583 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.899 -2.129 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.800 -3.662 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.085 -2.982 1.719 1.00 0.00 H new ATOM 1583 N GLU A 101 -8.830 -8.351 1.644 1.00 0.00 N ATOM 1584 CA GLU A 101 -8.805 -9.487 2.550 1.00 0.00 C ATOM 1585 C GLU A 101 -7.363 -9.833 2.926 1.00 0.00 C ATOM 1586 O GLU A 101 -7.082 -10.177 4.074 1.00 0.00 O ATOM 1587 CB GLU A 101 -9.516 -10.694 1.936 1.00 0.00 C ATOM 1588 CG GLU A 101 -8.609 -11.415 0.937 1.00 0.00 C ATOM 1589 CD GLU A 101 -9.354 -12.560 0.248 1.00 0.00 C ATOM 1590 OE1 GLU A 101 -9.964 -12.286 -0.808 1.00 0.00 O ATOM 1591 OE2 GLU A 101 -9.297 -13.684 0.793 1.00 0.00 O ATOM 0 H GLU A 101 -9.270 -8.534 0.742 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.342 -9.215 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.815 -11.384 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.428 -10.368 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.251 -10.707 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.732 -11.805 1.453 1.00 0.00 H new ATOM 1598 N PHE A 102 -6.486 -9.731 1.938 1.00 0.00 N ATOM 1599 CA PHE A 102 -5.080 -10.029 2.151 1.00 0.00 C ATOM 1600 C PHE A 102 -4.364 -8.851 2.813 1.00 0.00 C ATOM 1601 O PHE A 102 -3.196 -8.958 3.183 1.00 0.00 O ATOM 1602 CB PHE A 102 -4.462 -10.278 0.774 1.00 0.00 C ATOM 1603 CG PHE A 102 -5.069 -11.466 0.025 1.00 0.00 C ATOM 1604 CD1 PHE A 102 -5.631 -12.492 0.718 1.00 0.00 C ATOM 1605 CD2 PHE A 102 -5.048 -11.495 -1.335 1.00 0.00 C ATOM 1606 CE1 PHE A 102 -6.194 -13.594 0.023 1.00 0.00 C ATOM 1607 CE2 PHE A 102 -5.611 -12.597 -2.030 1.00 0.00 C ATOM 1608 CZ PHE A 102 -6.173 -13.624 -1.337 1.00 0.00 C ATOM 0 H PHE A 102 -6.722 -9.446 0.988 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.978 -10.895 2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.579 -9.380 0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -3.391 -10.445 0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.649 -12.468 1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.603 -10.680 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.639 -14.409 0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.593 -12.620 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 102 -6.602 -14.462 -1.866 1.00 0.00 H new ATOM 1618 N VAL A 103 -5.094 -7.752 2.942 1.00 0.00 N ATOM 1619 CA VAL A 103 -4.543 -6.555 3.553 1.00 0.00 C ATOM 1620 C VAL A 103 -4.782 -6.602 5.064 1.00 0.00 C ATOM 1621 O VAL A 103 -5.903 -6.395 5.525 1.00 0.00 O ATOM 1622 CB VAL A 103 -5.137 -5.309 2.892 1.00 0.00 C ATOM 1623 CG1 VAL A 103 -4.989 -4.085 3.798 1.00 0.00 C ATOM 1624 CG2 VAL A 103 -4.502 -5.059 1.523 1.00 0.00 C ATOM 0 H VAL A 103 -6.062 -7.666 2.634 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.465 -6.508 3.396 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.202 -5.486 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.419 -3.213 3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.510 -4.264 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.932 -3.905 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.942 -4.168 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.428 -4.913 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.683 -5.917 0.876 1.00 0.00 H new ATOM 1634 N SER A 104 -3.709 -6.874 5.792 1.00 0.00 N ATOM 1635 CA SER A 104 -3.789 -6.951 7.241 1.00 0.00 C ATOM 1636 C SER A 104 -3.213 -5.678 7.865 1.00 0.00 C ATOM 1637 O SER A 104 -2.020 -5.407 7.742 1.00 0.00 O ATOM 1638 CB SER A 104 -3.048 -8.182 7.769 1.00 0.00 C ATOM 1639 OG SER A 104 -3.941 -9.248 8.082 1.00 0.00 O ATOM 0 H SER A 104 -2.780 -7.044 5.406 1.00 0.00 H new ATOM 0 HA SER A 104 -4.838 -7.043 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.328 -8.519 7.024 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.481 -7.910 8.660 1.00 0.00 H new ATOM 0 HG SER A 104 -3.430 -10.016 8.414 1.00 0.00 H new ATOM 1645 N ASN A 105 -4.089 -4.931 8.521 1.00 0.00 N ATOM 1646 CA ASN A 105 -3.683 -3.693 9.164 1.00 0.00 C ATOM 1647 C ASN A 105 -2.307 -3.884 9.806 1.00 0.00 C ATOM 1648 O ASN A 105 -1.285 -3.569 9.199 1.00 0.00 O ATOM 1649 CB ASN A 105 -4.668 -3.295 10.265 1.00 0.00 C ATOM 1650 CG ASN A 105 -5.388 -4.523 10.826 1.00 0.00 C ATOM 1651 OD1 ASN A 105 -4.931 -5.174 11.750 1.00 0.00 O ATOM 1652 ND2 ASN A 105 -6.537 -4.800 10.217 1.00 0.00 N ATOM 0 H ASN A 105 -5.078 -5.159 8.621 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.657 -2.912 8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.136 -2.783 11.067 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.399 -2.591 9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.094 -5.600 10.518 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.862 -4.213 9.449 1.00 0.00 H new ATOM 1659 N GLN A 106 -2.327 -4.399 11.027 1.00 0.00 N ATOM 1660 CA GLN A 106 -1.094 -4.636 11.758 1.00 0.00 C ATOM 1661 C GLN A 106 -0.245 -3.364 11.796 1.00 0.00 C ATOM 1662 O GLN A 106 -0.694 -2.301 11.367 1.00 0.00 O ATOM 1663 CB GLN A 106 -0.310 -5.800 11.149 1.00 0.00 C ATOM 1664 CG GLN A 106 -0.353 -7.028 12.061 1.00 0.00 C ATOM 1665 CD GLN A 106 -1.735 -7.685 12.030 1.00 0.00 C ATOM 1666 OE1 GLN A 106 -2.757 -7.051 12.232 1.00 0.00 O ATOM 1667 NE2 GLN A 106 -1.708 -8.989 11.767 1.00 0.00 N ATOM 0 H GLN A 106 -3.177 -4.658 11.528 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.350 -4.909 12.782 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.726 -6.052 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.725 -5.500 10.986 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.403 -7.747 11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.108 -6.736 13.082 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.817 -9.459 11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.579 -9.519 11.725 1.00 0.00 H new ATOM 1676 N GLU A 107 0.966 -3.513 12.312 1.00 0.00 N ATOM 1677 CA GLU A 107 1.881 -2.389 12.410 1.00 0.00 C ATOM 1678 C GLU A 107 3.262 -2.781 11.882 1.00 0.00 C ATOM 1679 O GLU A 107 3.898 -3.690 12.412 1.00 0.00 O ATOM 1680 CB GLU A 107 1.969 -1.878 13.850 1.00 0.00 C ATOM 1681 CG GLU A 107 1.883 -3.034 14.848 1.00 0.00 C ATOM 1682 CD GLU A 107 2.061 -2.534 16.283 1.00 0.00 C ATOM 1683 OE1 GLU A 107 2.842 -1.573 16.456 1.00 0.00 O ATOM 1684 OE2 GLU A 107 1.414 -3.125 17.174 1.00 0.00 O ATOM 0 H GLU A 107 1.335 -4.395 12.667 1.00 0.00 H new ATOM 0 HA GLU A 107 1.495 -1.577 11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.906 -1.339 13.992 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.162 -1.170 14.038 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.919 -3.533 14.750 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.650 -3.774 14.619 1.00 0.00 H new ATOM 1691 N PHE A 108 3.686 -2.075 10.844 1.00 0.00 N ATOM 1692 CA PHE A 108 4.980 -2.337 10.238 1.00 0.00 C ATOM 1693 C PHE A 108 6.059 -2.520 11.307 1.00 0.00 C ATOM 1694 O PHE A 108 6.116 -1.760 12.273 1.00 0.00 O ATOM 1695 CB PHE A 108 5.329 -1.119 9.381 1.00 0.00 C ATOM 1696 CG PHE A 108 4.627 -1.093 8.022 1.00 0.00 C ATOM 1697 CD1 PHE A 108 4.568 -2.222 7.266 1.00 0.00 C ATOM 1698 CD2 PHE A 108 4.063 0.059 7.570 1.00 0.00 C ATOM 1699 CE1 PHE A 108 3.916 -2.197 6.004 1.00 0.00 C ATOM 1700 CE2 PHE A 108 3.412 0.083 6.308 1.00 0.00 C ATOM 1701 CZ PHE A 108 3.352 -1.045 5.552 1.00 0.00 C ATOM 0 H PHE A 108 3.156 -1.321 10.407 1.00 0.00 H new ATOM 0 HA PHE A 108 4.934 -3.251 9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.069 -0.214 9.930 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.407 -1.096 9.222 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.016 -3.137 7.625 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.110 0.955 8.171 1.00 0.00 H new ATOM 0 HE1 PHE A 108 3.868 -3.093 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.964 0.998 5.949 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.857 -1.026 4.593 1.00 0.00 H new ATOM 1711 N THR A 109 6.889 -3.531 11.099 1.00 0.00 N ATOM 1712 CA THR A 109 7.963 -3.823 12.033 1.00 0.00 C ATOM 1713 C THR A 109 9.315 -3.432 11.430 1.00 0.00 C ATOM 1714 O THR A 109 9.573 -3.691 10.256 1.00 0.00 O ATOM 1715 CB THR A 109 7.872 -5.302 12.412 1.00 0.00 C ATOM 1716 OG1 THR A 109 8.887 -5.471 13.397 1.00 0.00 O ATOM 1717 CG2 THR A 109 8.301 -6.227 11.271 1.00 0.00 C ATOM 0 H THR A 109 6.839 -4.159 10.297 1.00 0.00 H new ATOM 0 HA THR A 109 7.866 -3.233 12.944 1.00 0.00 H new ATOM 0 HB THR A 109 6.849 -5.539 12.705 1.00 0.00 H new ATOM 0 HG1 THR A 109 8.897 -6.403 13.700 1.00 0.00 H new ATOM 0 HG21 THR A 109 8.217 -7.265 11.593 1.00 0.00 H new ATOM 0 HG22 THR A 109 7.657 -6.062 10.407 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.335 -6.014 10.999 1.00 0.00 H new ATOM 1725 N GLU A 110 10.141 -2.816 12.262 1.00 0.00 N ATOM 1726 CA GLU A 110 11.460 -2.387 11.826 1.00 0.00 C ATOM 1727 C GLU A 110 12.071 -3.426 10.884 1.00 0.00 C ATOM 1728 O GLU A 110 12.583 -3.080 9.821 1.00 0.00 O ATOM 1729 CB GLU A 110 12.376 -2.128 13.024 1.00 0.00 C ATOM 1730 CG GLU A 110 13.764 -1.677 12.565 1.00 0.00 C ATOM 1731 CD GLU A 110 14.630 -1.268 13.758 1.00 0.00 C ATOM 1732 OE1 GLU A 110 14.527 -0.086 14.155 1.00 0.00 O ATOM 1733 OE2 GLU A 110 15.374 -2.144 14.247 1.00 0.00 O ATOM 0 H GLU A 110 9.923 -2.603 13.236 1.00 0.00 H new ATOM 0 HA GLU A 110 11.354 -1.449 11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 110 11.935 -1.365 13.665 1.00 0.00 H new ATOM 0 HB3 GLU A 110 12.464 -3.035 13.622 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.250 -2.485 12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 110 13.668 -0.838 11.876 1.00 0.00 H new ATOM 1740 N SER A 111 11.996 -4.679 11.308 1.00 0.00 N ATOM 1741 CA SER A 111 12.536 -5.771 10.515 1.00 0.00 C ATOM 1742 C SER A 111 12.082 -5.635 9.060 1.00 0.00 C ATOM 1743 O SER A 111 12.894 -5.375 8.174 1.00 0.00 O ATOM 1744 CB SER A 111 12.108 -7.127 11.081 1.00 0.00 C ATOM 1745 OG SER A 111 12.098 -7.131 12.506 1.00 0.00 O ATOM 0 H SER A 111 11.570 -4.963 12.190 1.00 0.00 H new ATOM 0 HA SER A 111 13.624 -5.718 10.556 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.114 -7.377 10.711 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.786 -7.901 10.721 1.00 0.00 H new ATOM 0 HG SER A 111 11.818 -8.013 12.829 1.00 0.00 H new ATOM 1751 N GLU A 112 10.785 -5.818 8.859 1.00 0.00 N ATOM 1752 CA GLU A 112 10.213 -5.719 7.527 1.00 0.00 C ATOM 1753 C GLU A 112 10.539 -4.358 6.909 1.00 0.00 C ATOM 1754 O GLU A 112 11.103 -4.287 5.818 1.00 0.00 O ATOM 1755 CB GLU A 112 8.702 -5.959 7.560 1.00 0.00 C ATOM 1756 CG GLU A 112 8.387 -7.438 7.792 1.00 0.00 C ATOM 1757 CD GLU A 112 6.982 -7.614 8.373 1.00 0.00 C ATOM 1758 OE1 GLU A 112 6.174 -6.677 8.197 1.00 0.00 O ATOM 1759 OE2 GLU A 112 6.748 -8.682 8.979 1.00 0.00 O ATOM 0 H GLU A 112 10.114 -6.034 9.596 1.00 0.00 H new ATOM 0 HA GLU A 112 10.657 -6.495 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.252 -5.359 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.258 -5.632 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.466 -7.983 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.122 -7.868 8.472 1.00 0.00 H new ATOM 1766 N PHE A 113 10.170 -3.312 7.633 1.00 0.00 N ATOM 1767 CA PHE A 113 10.416 -1.957 7.169 1.00 0.00 C ATOM 1768 C PHE A 113 11.787 -1.847 6.499 1.00 0.00 C ATOM 1769 O PHE A 113 11.929 -1.183 5.473 1.00 0.00 O ATOM 1770 CB PHE A 113 10.390 -1.051 8.402 1.00 0.00 C ATOM 1771 CG PHE A 113 10.684 0.420 8.099 1.00 0.00 C ATOM 1772 CD1 PHE A 113 9.992 1.064 7.121 1.00 0.00 C ATOM 1773 CD2 PHE A 113 11.637 1.083 8.808 1.00 0.00 C ATOM 1774 CE1 PHE A 113 10.265 2.429 6.840 1.00 0.00 C ATOM 1775 CE2 PHE A 113 11.909 2.448 8.527 1.00 0.00 C ATOM 1776 CZ PHE A 113 11.218 3.092 7.549 1.00 0.00 C ATOM 0 H PHE A 113 9.703 -3.375 8.537 1.00 0.00 H new ATOM 0 HA PHE A 113 9.660 -1.671 6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 113 9.411 -1.125 8.874 1.00 0.00 H new ATOM 0 HB3 PHE A 113 11.121 -1.416 9.124 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.235 0.537 6.558 1.00 0.00 H new ATOM 0 HD2 PHE A 113 12.187 0.571 9.584 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.716 2.941 6.063 1.00 0.00 H new ATOM 0 HE2 PHE A 113 12.665 2.975 9.090 1.00 0.00 H new ATOM 0 HZ PHE A 113 11.426 4.130 7.335 1.00 0.00 H new ATOM 1786 N MET A 114 12.761 -2.509 7.106 1.00 0.00 N ATOM 1787 CA MET A 114 14.116 -2.494 6.581 1.00 0.00 C ATOM 1788 C MET A 114 14.257 -3.456 5.400 1.00 0.00 C ATOM 1789 O MET A 114 14.969 -3.167 4.440 1.00 0.00 O ATOM 1790 CB MET A 114 15.096 -2.894 7.685 1.00 0.00 C ATOM 1791 CG MET A 114 15.203 -1.797 8.747 1.00 0.00 C ATOM 1792 SD MET A 114 16.351 -0.540 8.212 1.00 0.00 S ATOM 1793 CE MET A 114 15.682 0.876 9.070 1.00 0.00 C ATOM 0 H MET A 114 12.639 -3.059 7.956 1.00 0.00 H new ATOM 0 HA MET A 114 14.339 -1.486 6.233 1.00 0.00 H new ATOM 0 HB2 MET A 114 14.767 -3.824 8.149 1.00 0.00 H new ATOM 0 HB3 MET A 114 16.078 -3.084 7.253 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.223 -1.354 8.924 1.00 0.00 H new ATOM 0 HG3 MET A 114 15.535 -2.226 9.693 1.00 0.00 H new ATOM 0 HE1 MET A 114 16.285 1.756 8.845 1.00 0.00 H new ATOM 0 HE2 MET A 114 14.656 1.047 8.745 1.00 0.00 H new ATOM 0 HE3 MET A 114 15.697 0.691 10.144 1.00 0.00 H new ATOM 1803 N LYS A 115 13.566 -4.582 5.509 1.00 0.00 N ATOM 1804 CA LYS A 115 13.605 -5.588 4.462 1.00 0.00 C ATOM 1805 C LYS A 115 13.056 -4.991 3.165 1.00 0.00 C ATOM 1806 O LYS A 115 13.655 -5.148 2.103 1.00 0.00 O ATOM 1807 CB LYS A 115 12.877 -6.857 4.912 1.00 0.00 C ATOM 1808 CG LYS A 115 13.726 -7.654 5.904 1.00 0.00 C ATOM 1809 CD LYS A 115 14.836 -8.422 5.183 1.00 0.00 C ATOM 1810 CE LYS A 115 15.833 -9.012 6.182 1.00 0.00 C ATOM 1811 NZ LYS A 115 15.572 -10.454 6.385 1.00 0.00 N ATOM 0 H LYS A 115 12.976 -4.819 6.307 1.00 0.00 H new ATOM 0 HA LYS A 115 14.633 -5.891 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.926 -6.591 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.648 -7.476 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.164 -6.978 6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.093 -8.352 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.400 -9.221 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.356 -7.756 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.850 -8.868 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.758 -8.485 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.258 -10.838 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.608 -10.584 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.666 -10.955 5.478 1.00 0.00 H new ATOM 1825 N TRP A 116 11.922 -4.318 3.295 1.00 0.00 N ATOM 1826 CA TRP A 116 11.285 -3.696 2.147 1.00 0.00 C ATOM 1827 C TRP A 116 12.207 -2.585 1.639 1.00 0.00 C ATOM 1828 O TRP A 116 12.426 -2.458 0.435 1.00 0.00 O ATOM 1829 CB TRP A 116 9.884 -3.195 2.501 1.00 0.00 C ATOM 1830 CG TRP A 116 9.443 -1.964 1.706 1.00 0.00 C ATOM 1831 CD1 TRP A 116 8.975 -1.916 0.452 1.00 0.00 C ATOM 1832 CD2 TRP A 116 9.449 -0.596 2.166 1.00 0.00 C ATOM 1833 NE1 TRP A 116 8.680 -0.623 0.071 1.00 0.00 N ATOM 1834 CE2 TRP A 116 8.977 0.205 1.147 1.00 0.00 C ATOM 1835 CE3 TRP A 116 9.840 -0.053 3.403 1.00 0.00 C ATOM 1836 CZ2 TRP A 116 8.852 1.595 1.259 1.00 0.00 C ATOM 1837 CZ3 TRP A 116 9.709 1.337 3.500 1.00 0.00 C ATOM 1838 CH2 TRP A 116 9.236 2.158 2.482 1.00 0.00 C ATOM 0 H TRP A 116 11.428 -4.190 4.178 1.00 0.00 H new ATOM 0 HA TRP A 116 11.140 -4.422 1.347 1.00 0.00 H new ATOM 0 HB2 TRP A 116 9.168 -3.999 2.332 1.00 0.00 H new ATOM 0 HB3 TRP A 116 9.852 -2.958 3.565 1.00 0.00 H new ATOM 0 HD1 TRP A 116 8.845 -2.781 -0.182 1.00 0.00 H new ATOM 0 HE1 TRP A 116 8.312 -0.329 -0.834 1.00 0.00 H new ATOM 0 HE3 TRP A 116 10.212 -0.661 4.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 8.479 2.200 0.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.995 1.805 4.430 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.165 3.225 2.634 1.00 0.00 H new ATOM 1849 N LYS A 117 12.721 -1.810 2.582 1.00 0.00 N ATOM 1850 CA LYS A 117 13.614 -0.714 2.245 1.00 0.00 C ATOM 1851 C LYS A 117 14.684 -1.215 1.273 1.00 0.00 C ATOM 1852 O LYS A 117 14.989 -0.550 0.284 1.00 0.00 O ATOM 1853 CB LYS A 117 14.184 -0.078 3.514 1.00 0.00 C ATOM 1854 CG LYS A 117 13.562 1.297 3.766 1.00 0.00 C ATOM 1855 CD LYS A 117 13.736 1.718 5.226 1.00 0.00 C ATOM 1856 CE LYS A 117 15.170 2.180 5.496 1.00 0.00 C ATOM 1857 NZ LYS A 117 15.218 3.650 5.663 1.00 0.00 N ATOM 0 H LYS A 117 12.536 -1.919 3.579 1.00 0.00 H new ATOM 0 HA LYS A 117 13.068 0.081 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 117 13.994 -0.729 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 117 15.266 0.020 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 117 14.027 2.036 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.502 1.272 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.040 2.523 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.490 0.882 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 117 15.552 1.693 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 117 15.816 1.880 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 16.005 3.902 6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 15.360 4.100 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 14.323 3.982 6.076 1.00 0.00 H new ATOM 1871 N GLU A 118 15.225 -2.382 1.589 1.00 0.00 N ATOM 1872 CA GLU A 118 16.255 -2.979 0.756 1.00 0.00 C ATOM 1873 C GLU A 118 15.876 -2.864 -0.722 1.00 0.00 C ATOM 1874 O GLU A 118 16.677 -2.410 -1.538 1.00 0.00 O ATOM 1875 CB GLU A 118 16.499 -4.438 1.147 1.00 0.00 C ATOM 1876 CG GLU A 118 17.034 -4.541 2.577 1.00 0.00 C ATOM 1877 CD GLU A 118 18.441 -5.141 2.593 1.00 0.00 C ATOM 1878 OE1 GLU A 118 18.645 -6.130 1.857 1.00 0.00 O ATOM 1879 OE2 GLU A 118 19.282 -4.598 3.343 1.00 0.00 O ATOM 0 H GLU A 118 14.970 -2.930 2.410 1.00 0.00 H new ATOM 0 HA GLU A 118 17.185 -2.434 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 118 15.570 -5.001 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 118 17.210 -4.889 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 118 17.051 -3.552 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 118 16.365 -5.158 3.176 1.00 0.00 H new ATOM 1886 N ALA A 119 14.655 -3.282 -1.021 1.00 0.00 N ATOM 1887 CA ALA A 119 14.160 -3.231 -2.386 1.00 0.00 C ATOM 1888 C ALA A 119 14.307 -1.806 -2.925 1.00 0.00 C ATOM 1889 O ALA A 119 14.637 -1.611 -4.093 1.00 0.00 O ATOM 1890 CB ALA A 119 12.711 -3.721 -2.423 1.00 0.00 C ATOM 0 H ALA A 119 13.994 -3.658 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 119 14.743 -3.889 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 119 12.340 -3.683 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 119 12.665 -4.747 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 119 12.095 -3.083 -1.790 1.00 0.00 H new ATOM 1896 N MET A 120 14.056 -0.847 -2.046 1.00 0.00 N ATOM 1897 CA MET A 120 14.156 0.554 -2.418 1.00 0.00 C ATOM 1898 C MET A 120 15.619 0.986 -2.540 1.00 0.00 C ATOM 1899 O MET A 120 15.969 1.762 -3.428 1.00 0.00 O ATOM 1900 CB MET A 120 13.455 1.414 -1.365 1.00 0.00 C ATOM 1901 CG MET A 120 12.049 0.886 -1.073 1.00 0.00 C ATOM 1902 SD MET A 120 10.878 1.604 -2.213 1.00 0.00 S ATOM 1903 CE MET A 120 11.196 3.338 -1.932 1.00 0.00 C ATOM 0 H MET A 120 13.784 -1.013 -1.077 1.00 0.00 H new ATOM 0 HA MET A 120 13.675 0.688 -3.387 1.00 0.00 H new ATOM 0 HB2 MET A 120 14.042 1.422 -0.447 1.00 0.00 H new ATOM 0 HB3 MET A 120 13.395 2.445 -1.714 1.00 0.00 H new ATOM 0 HG2 MET A 120 12.034 -0.200 -1.160 1.00 0.00 H new ATOM 0 HG3 MET A 120 11.766 1.128 -0.048 1.00 0.00 H new ATOM 0 HE1 MET A 120 10.338 3.789 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 120 12.080 3.449 -1.304 1.00 0.00 H new ATOM 0 HE3 MET A 120 11.364 3.836 -2.887 1.00 0.00 H new ATOM 1913 N PHE A 121 16.433 0.465 -1.634 1.00 0.00 N ATOM 1914 CA PHE A 121 17.850 0.787 -1.628 1.00 0.00 C ATOM 1915 C PHE A 121 18.566 0.133 -2.812 1.00 0.00 C ATOM 1916 O PHE A 121 19.571 0.650 -3.296 1.00 0.00 O ATOM 1917 CB PHE A 121 18.430 0.230 -0.326 1.00 0.00 C ATOM 1918 CG PHE A 121 18.245 1.151 0.882 1.00 0.00 C ATOM 1919 CD1 PHE A 121 17.001 1.580 1.225 1.00 0.00 C ATOM 1920 CD2 PHE A 121 19.324 1.540 1.611 1.00 0.00 C ATOM 1921 CE1 PHE A 121 16.829 2.435 2.346 1.00 0.00 C ATOM 1922 CE2 PHE A 121 19.152 2.395 2.732 1.00 0.00 C ATOM 1923 CZ PHE A 121 17.908 2.824 3.076 1.00 0.00 C ATOM 0 H PHE A 121 16.138 -0.178 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 121 17.987 1.866 -1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 121 17.961 -0.730 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 121 19.494 0.041 -0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 121 16.144 1.271 0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 121 20.312 1.199 1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 121 15.841 2.776 2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 121 20.009 2.705 3.311 1.00 0.00 H new ATOM 0 HZ PHE A 121 17.777 3.474 3.929 1.00 0.00 H new ATOM 1933 N SER A 122 18.019 -0.994 -3.244 1.00 0.00 N ATOM 1934 CA SER A 122 18.593 -1.724 -4.361 1.00 0.00 C ATOM 1935 C SER A 122 18.132 -1.104 -5.682 1.00 0.00 C ATOM 1936 O SER A 122 18.939 -0.891 -6.587 1.00 0.00 O ATOM 1937 CB SER A 122 18.210 -3.204 -4.308 1.00 0.00 C ATOM 1938 OG SER A 122 18.983 -3.989 -5.211 1.00 0.00 O ATOM 0 H SER A 122 17.184 -1.419 -2.840 1.00 0.00 H new ATOM 0 HA SER A 122 19.679 -1.655 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 122 18.348 -3.578 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 122 17.152 -3.313 -4.547 1.00 0.00 H new ATOM 0 HG SER A 122 18.709 -4.928 -5.146 1.00 0.00 H new ATOM 1944 N ALA A 123 16.838 -0.832 -5.752 1.00 0.00 N ATOM 1945 CA ALA A 123 16.260 -0.241 -6.947 1.00 0.00 C ATOM 1946 C ALA A 123 16.681 1.228 -7.039 1.00 0.00 C ATOM 1947 O ALA A 123 16.502 1.865 -8.076 1.00 0.00 O ATOM 1948 CB ALA A 123 14.740 -0.410 -6.918 1.00 0.00 C ATOM 0 H ALA A 123 16.172 -1.010 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 123 16.627 -0.747 -7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 123 14.307 0.034 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 123 14.492 -1.471 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 123 14.335 0.087 -6.036 1.00 0.00 H new ATOM 1954 N GLY A 124 17.233 1.722 -5.941 1.00 0.00 N ATOM 1955 CA GLY A 124 17.681 3.103 -5.884 1.00 0.00 C ATOM 1956 C GLY A 124 16.494 4.059 -5.753 1.00 0.00 C ATOM 1957 O GLY A 124 16.636 5.263 -5.963 1.00 0.00 O ATOM 0 H GLY A 124 17.380 1.190 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.355 3.236 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.248 3.343 -6.784 1.00 0.00 H new ATOM 1961 N MET A 125 15.350 3.488 -5.406 1.00 0.00 N ATOM 1962 CA MET A 125 14.139 4.274 -5.244 1.00 0.00 C ATOM 1963 C MET A 125 14.149 5.028 -3.912 1.00 0.00 C ATOM 1964 O MET A 125 15.007 4.786 -3.064 1.00 0.00 O ATOM 1965 CB MET A 125 12.920 3.352 -5.299 1.00 0.00 C ATOM 1966 CG MET A 125 12.712 2.803 -6.712 1.00 0.00 C ATOM 1967 SD MET A 125 12.150 1.110 -6.633 1.00 0.00 S ATOM 1968 CE MET A 125 10.751 1.299 -5.541 1.00 0.00 C ATOM 0 H MET A 125 15.236 2.489 -5.232 1.00 0.00 H new ATOM 0 HA MET A 125 14.091 5.003 -6.053 1.00 0.00 H new ATOM 0 HB2 MET A 125 13.052 2.526 -4.600 1.00 0.00 H new ATOM 0 HB3 MET A 125 12.031 3.898 -4.983 1.00 0.00 H new ATOM 0 HG2 MET A 125 11.982 3.413 -7.244 1.00 0.00 H new ATOM 0 HG3 MET A 125 13.644 2.859 -7.274 1.00 0.00 H new ATOM 0 HE1 MET A 125 10.755 0.498 -4.802 1.00 0.00 H new ATOM 0 HE2 MET A 125 10.813 2.261 -5.033 1.00 0.00 H new ATOM 0 HE3 MET A 125 9.829 1.253 -6.120 1.00 0.00 H new ATOM 1978 N GLN A 126 13.186 5.927 -3.770 1.00 0.00 N ATOM 1979 CA GLN A 126 13.073 6.717 -2.556 1.00 0.00 C ATOM 1980 C GLN A 126 11.811 6.328 -1.785 1.00 0.00 C ATOM 1981 O GLN A 126 10.830 5.881 -2.378 1.00 0.00 O ATOM 1982 CB GLN A 126 13.082 8.214 -2.874 1.00 0.00 C ATOM 1983 CG GLN A 126 14.408 8.630 -3.515 1.00 0.00 C ATOM 1984 CD GLN A 126 14.636 10.136 -3.374 1.00 0.00 C ATOM 1985 OE1 GLN A 126 13.851 10.955 -3.824 1.00 0.00 O ATOM 1986 NE2 GLN A 126 15.752 10.455 -2.724 1.00 0.00 N ATOM 0 H GLN A 126 12.477 6.126 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 126 13.938 6.507 -1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 126 12.258 8.451 -3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 126 12.921 8.785 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 126 15.229 8.089 -3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 126 14.408 8.356 -4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 126 16.366 9.720 -2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 126 15.994 11.435 -2.577 1.00 0.00 H new ATOM 1995 N LEU A 127 11.876 6.513 -0.475 1.00 0.00 N ATOM 1996 CA LEU A 127 10.750 6.186 0.384 1.00 0.00 C ATOM 1997 C LEU A 127 9.889 7.435 0.585 1.00 0.00 C ATOM 1998 O LEU A 127 10.173 8.488 0.015 1.00 0.00 O ATOM 1999 CB LEU A 127 11.237 5.558 1.691 1.00 0.00 C ATOM 2000 CG LEU A 127 12.562 4.797 1.617 1.00 0.00 C ATOM 2001 CD1 LEU A 127 13.362 4.961 2.910 1.00 0.00 C ATOM 2002 CD2 LEU A 127 12.330 3.325 1.269 1.00 0.00 C ATOM 0 H LEU A 127 12.691 6.885 0.013 1.00 0.00 H new ATOM 0 HA LEU A 127 10.117 5.434 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 127 11.336 6.348 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 127 10.468 4.875 2.051 1.00 0.00 H new ATOM 0 HG LEU A 127 13.159 5.228 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 127 14.299 4.410 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 127 13.575 6.017 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 127 12.783 4.573 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 127 13.288 2.807 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 127 11.705 2.864 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.832 3.254 0.302 1.00 0.00 H new ATOM 2014 N PRO A 128 8.827 7.273 1.419 1.00 0.00 N ATOM 2015 CA PRO A 128 7.922 8.374 1.702 1.00 0.00 C ATOM 2016 C PRO A 128 8.565 9.379 2.661 1.00 0.00 C ATOM 2017 O PRO A 128 9.090 8.996 3.705 1.00 0.00 O ATOM 2018 CB PRO A 128 6.675 7.722 2.274 1.00 0.00 C ATOM 2019 CG PRO A 128 7.099 6.332 2.722 1.00 0.00 C ATOM 2020 CD PRO A 128 8.460 6.041 2.111 1.00 0.00 C ATOM 0 HA PRO A 128 7.678 8.957 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 128 6.282 8.299 3.111 1.00 0.00 H new ATOM 0 HB3 PRO A 128 5.885 7.667 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 128 7.150 6.280 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 128 6.370 5.588 2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 128 9.191 5.784 2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 128 8.412 5.198 1.421 1.00 0.00 H new ATOM 2028 N THR A 129 8.502 10.643 2.271 1.00 0.00 N ATOM 2029 CA THR A 129 9.072 11.705 3.083 1.00 0.00 C ATOM 2030 C THR A 129 8.106 12.096 4.203 1.00 0.00 C ATOM 2031 O THR A 129 6.897 12.171 3.988 1.00 0.00 O ATOM 2032 CB THR A 129 9.430 12.869 2.156 1.00 0.00 C ATOM 2033 OG1 THR A 129 8.446 12.809 1.127 1.00 0.00 O ATOM 2034 CG2 THR A 129 10.753 12.645 1.420 1.00 0.00 C ATOM 0 H THR A 129 8.065 10.956 1.404 1.00 0.00 H new ATOM 0 HA THR A 129 9.983 11.376 3.582 1.00 0.00 H new ATOM 0 HB THR A 129 9.488 13.790 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 129 8.602 13.531 0.482 1.00 0.00 H new ATOM 0 HG21 THR A 129 10.960 13.500 0.776 1.00 0.00 H new ATOM 0 HG22 THR A 129 11.559 12.534 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 129 10.684 11.742 0.814 1.00 0.00 H new ATOM 2042 N LEU A 130 8.676 12.336 5.376 1.00 0.00 N ATOM 2043 CA LEU A 130 7.880 12.717 6.530 1.00 0.00 C ATOM 2044 C LEU A 130 6.792 13.699 6.092 1.00 0.00 C ATOM 2045 O LEU A 130 5.696 13.706 6.652 1.00 0.00 O ATOM 2046 CB LEU A 130 8.779 13.253 7.646 1.00 0.00 C ATOM 2047 CG LEU A 130 9.728 12.239 8.289 1.00 0.00 C ATOM 2048 CD1 LEU A 130 9.140 10.828 8.235 1.00 0.00 C ATOM 2049 CD2 LEU A 130 11.117 12.307 7.650 1.00 0.00 C ATOM 0 H LEU A 130 9.679 12.274 5.551 1.00 0.00 H new ATOM 0 HA LEU A 130 7.374 11.847 6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.374 14.073 7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.144 13.672 8.427 1.00 0.00 H new ATOM 0 HG LEU A 130 9.845 12.499 9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 130 9.834 10.127 8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 130 8.192 10.808 8.772 1.00 0.00 H new ATOM 0 HD13 LEU A 130 8.975 10.542 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 130 11.772 11.577 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 130 11.039 12.086 6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 130 11.531 13.307 7.784 1.00 0.00 H new ATOM 2061 N ASP A 131 7.131 14.503 5.096 1.00 0.00 N ATOM 2062 CA ASP A 131 6.196 15.487 4.576 1.00 0.00 C ATOM 2063 C ASP A 131 5.010 14.766 3.932 1.00 0.00 C ATOM 2064 O ASP A 131 3.857 15.053 4.252 1.00 0.00 O ATOM 2065 CB ASP A 131 6.854 16.362 3.508 1.00 0.00 C ATOM 2066 CG ASP A 131 6.794 17.867 3.778 1.00 0.00 C ATOM 2067 OD1 ASP A 131 6.337 18.227 4.885 1.00 0.00 O ATOM 2068 OD2 ASP A 131 7.207 18.623 2.873 1.00 0.00 O ATOM 0 H ASP A 131 8.041 14.494 4.635 1.00 0.00 H new ATOM 0 HA ASP A 131 5.871 16.115 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.899 16.067 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.376 16.161 2.549 1.00 0.00 H new ATOM 2073 N GLU A 132 5.334 13.845 3.037 1.00 0.00 N ATOM 2074 CA GLU A 132 4.310 13.081 2.345 1.00 0.00 C ATOM 2075 C GLU A 132 3.479 12.277 3.347 1.00 0.00 C ATOM 2076 O GLU A 132 2.255 12.221 3.241 1.00 0.00 O ATOM 2077 CB GLU A 132 4.929 12.167 1.286 1.00 0.00 C ATOM 2078 CG GLU A 132 5.136 12.915 -0.032 1.00 0.00 C ATOM 2079 CD GLU A 132 3.794 13.290 -0.666 1.00 0.00 C ATOM 2080 OE1 GLU A 132 3.128 12.363 -1.174 1.00 0.00 O ATOM 2081 OE2 GLU A 132 3.466 14.496 -0.629 1.00 0.00 O ATOM 0 H GLU A 132 6.291 13.610 2.775 1.00 0.00 H new ATOM 0 HA GLU A 132 3.648 13.779 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 132 5.884 11.784 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 132 4.282 11.305 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 132 5.723 13.816 0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 132 5.707 12.293 -0.721 1.00 0.00 H new ATOM 2088 N ILE A 133 4.179 11.673 4.296 1.00 0.00 N ATOM 2089 CA ILE A 133 3.522 10.874 5.317 1.00 0.00 C ATOM 2090 C ILE A 133 2.501 11.740 6.057 1.00 0.00 C ATOM 2091 O ILE A 133 1.372 11.311 6.291 1.00 0.00 O ATOM 2092 CB ILE A 133 4.557 10.222 6.236 1.00 0.00 C ATOM 2093 CG1 ILE A 133 5.546 9.374 5.433 1.00 0.00 C ATOM 2094 CG2 ILE A 133 3.876 9.415 7.343 1.00 0.00 C ATOM 2095 CD1 ILE A 133 5.321 7.882 5.689 1.00 0.00 C ATOM 0 H ILE A 133 5.194 11.721 4.380 1.00 0.00 H new ATOM 0 HA ILE A 133 2.972 10.051 4.861 1.00 0.00 H new ATOM 0 HB ILE A 133 5.130 11.012 6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 133 5.433 9.586 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 133 6.567 9.644 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 133 4.634 8.962 7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.246 10.075 7.939 1.00 0.00 H new ATOM 0 HG23 ILE A 133 3.262 8.632 6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.036 7.301 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 133 5.459 7.670 6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 133 4.307 7.611 5.393 1.00 0.00 H new ATOM 2107 N ASN A 134 2.934 12.942 6.406 1.00 0.00 N ATOM 2108 CA ASN A 134 2.072 13.872 7.115 1.00 0.00 C ATOM 2109 C ASN A 134 0.903 14.268 6.210 1.00 0.00 C ATOM 2110 O ASN A 134 -0.253 13.989 6.525 1.00 0.00 O ATOM 2111 CB ASN A 134 2.829 15.146 7.495 1.00 0.00 C ATOM 2112 CG ASN A 134 3.145 15.171 8.992 1.00 0.00 C ATOM 2113 OD1 ASN A 134 2.270 15.277 9.835 1.00 0.00 O ATOM 2114 ND2 ASN A 134 4.440 15.067 9.273 1.00 0.00 N ATOM 0 H ASN A 134 3.871 13.294 6.211 1.00 0.00 H new ATOM 0 HA ASN A 134 1.718 13.380 8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.755 15.207 6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 134 2.233 16.020 7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 134 4.753 15.073 10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 134 5.120 14.981 8.518 1.00 0.00 H new ATOM 2121 N LYS A 135 1.245 14.913 5.105 1.00 0.00 N ATOM 2122 CA LYS A 135 0.239 15.351 4.152 1.00 0.00 C ATOM 2123 C LYS A 135 -0.705 14.187 3.843 1.00 0.00 C ATOM 2124 O LYS A 135 -1.914 14.379 3.722 1.00 0.00 O ATOM 2125 CB LYS A 135 0.901 15.953 2.911 1.00 0.00 C ATOM 2126 CG LYS A 135 1.382 17.379 3.183 1.00 0.00 C ATOM 2127 CD LYS A 135 2.725 17.646 2.500 1.00 0.00 C ATOM 2128 CE LYS A 135 2.523 18.274 1.120 1.00 0.00 C ATOM 2129 NZ LYS A 135 2.360 17.224 0.091 1.00 0.00 N ATOM 0 H LYS A 135 2.205 15.143 4.848 1.00 0.00 H new ATOM 0 HA LYS A 135 -0.368 16.150 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 135 1.744 15.333 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 135 0.193 15.956 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 135 0.640 18.091 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 135 1.479 17.535 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.327 18.309 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.279 16.712 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 135 1.644 18.919 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 135 3.377 18.904 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 2.578 17.619 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 3.008 16.436 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.379 16.877 0.101 1.00 0.00 H new ATOM 2143 N LYS A 136 -0.117 13.006 3.724 1.00 0.00 N ATOM 2144 CA LYS A 136 -0.890 11.811 3.431 1.00 0.00 C ATOM 2145 C LYS A 136 -1.751 11.456 4.644 1.00 0.00 C ATOM 2146 O LYS A 136 -2.962 11.278 4.519 1.00 0.00 O ATOM 2147 CB LYS A 136 0.030 10.676 2.976 1.00 0.00 C ATOM 2148 CG LYS A 136 -0.740 9.359 2.862 1.00 0.00 C ATOM 2149 CD LYS A 136 -2.055 9.556 2.105 1.00 0.00 C ATOM 2150 CE LYS A 136 -1.801 9.762 0.610 1.00 0.00 C ATOM 2151 NZ LYS A 136 -3.053 9.577 -0.158 1.00 0.00 N ATOM 0 H LYS A 136 0.886 12.851 3.825 1.00 0.00 H new ATOM 0 HA LYS A 136 -1.570 11.992 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 136 0.474 10.927 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 136 0.850 10.562 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -0.127 8.619 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -0.945 8.966 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -2.697 8.688 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -2.586 10.418 2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -1.405 10.763 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -1.046 9.056 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -2.887 8.909 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -3.792 9.200 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -3.361 10.492 -0.546 1.00 0.00 H new ATOM 2165 N GLU A 137 -1.093 11.363 5.790 1.00 0.00 N ATOM 2166 CA GLU A 137 -1.784 11.033 7.025 1.00 0.00 C ATOM 2167 C GLU A 137 -3.055 11.873 7.163 1.00 0.00 C ATOM 2168 O GLU A 137 -4.159 11.332 7.216 1.00 0.00 O ATOM 2169 CB GLU A 137 -0.867 11.223 8.234 1.00 0.00 C ATOM 2170 CG GLU A 137 -1.424 10.503 9.464 1.00 0.00 C ATOM 2171 CD GLU A 137 -0.701 10.951 10.736 1.00 0.00 C ATOM 2172 OE1 GLU A 137 -0.283 12.128 10.766 1.00 0.00 O ATOM 2173 OE2 GLU A 137 -0.583 10.105 11.649 1.00 0.00 O ATOM 0 H GLU A 137 -0.089 11.510 5.889 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.069 9.982 6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.128 10.841 8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -0.758 12.286 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -2.491 10.707 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -1.315 9.426 9.340 1.00 0.00 H new ATOM 2180 N LEU A 138 -2.858 13.182 7.218 1.00 0.00 N ATOM 2181 CA LEU A 138 -3.975 14.103 7.350 1.00 0.00 C ATOM 2182 C LEU A 138 -5.094 13.679 6.396 1.00 0.00 C ATOM 2183 O LEU A 138 -6.258 13.617 6.789 1.00 0.00 O ATOM 2184 CB LEU A 138 -3.507 15.545 7.147 1.00 0.00 C ATOM 2185 CG LEU A 138 -2.962 16.255 8.388 1.00 0.00 C ATOM 2186 CD1 LEU A 138 -3.923 16.109 9.569 1.00 0.00 C ATOM 2187 CD2 LEU A 138 -1.555 15.759 8.729 1.00 0.00 C ATOM 0 H LEU A 138 -1.941 13.627 7.174 1.00 0.00 H new ATOM 0 HA LEU A 138 -4.384 14.065 8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -2.732 15.550 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.343 16.126 6.758 1.00 0.00 H new ATOM 0 HG LEU A 138 -2.884 17.319 8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -3.512 16.623 10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -4.887 16.548 9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.056 15.052 9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.191 16.279 9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -1.584 14.687 8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.886 15.957 7.891 1.00 0.00 H new ATOM 2199 N SER A 139 -4.702 13.398 5.162 1.00 0.00 N ATOM 2200 CA SER A 139 -5.658 12.982 4.150 1.00 0.00 C ATOM 2201 C SER A 139 -6.511 11.827 4.679 1.00 0.00 C ATOM 2202 O SER A 139 -7.728 11.817 4.500 1.00 0.00 O ATOM 2203 CB SER A 139 -4.948 12.569 2.859 1.00 0.00 C ATOM 2204 OG SER A 139 -5.372 13.349 1.744 1.00 0.00 O ATOM 0 H SER A 139 -3.736 13.450 4.840 1.00 0.00 H new ATOM 0 HA SER A 139 -6.305 13.829 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 139 -3.871 12.676 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 139 -5.142 11.515 2.659 1.00 0.00 H new ATOM 0 HG SER A 139 -4.895 13.056 0.940 1.00 0.00 H new ATOM 2210 N ILE A 140 -5.839 10.883 5.320 1.00 0.00 N ATOM 2211 CA ILE A 140 -6.521 9.726 5.877 1.00 0.00 C ATOM 2212 C ILE A 140 -7.504 10.188 6.954 1.00 0.00 C ATOM 2213 O ILE A 140 -8.686 9.851 6.906 1.00 0.00 O ATOM 2214 CB ILE A 140 -5.506 8.694 6.372 1.00 0.00 C ATOM 2215 CG1 ILE A 140 -4.916 7.901 5.204 1.00 0.00 C ATOM 2216 CG2 ILE A 140 -6.127 7.779 7.430 1.00 0.00 C ATOM 2217 CD1 ILE A 140 -3.635 8.559 4.686 1.00 0.00 C ATOM 0 H ILE A 140 -4.830 10.895 5.467 1.00 0.00 H new ATOM 0 HA ILE A 140 -7.106 9.221 5.108 1.00 0.00 H new ATOM 0 HB ILE A 140 -4.683 9.226 6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -4.702 6.881 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -5.647 7.836 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -5.385 7.055 7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -6.460 8.377 8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -6.980 7.253 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -3.236 7.976 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -3.858 9.570 4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -2.898 8.601 5.488 1.00 0.00 H new ATOM 2229 N LYS A 141 -6.979 10.953 7.900 1.00 0.00 N ATOM 2230 CA LYS A 141 -7.796 11.464 8.988 1.00 0.00 C ATOM 2231 C LYS A 141 -9.077 12.072 8.415 1.00 0.00 C ATOM 2232 O LYS A 141 -10.175 11.591 8.693 1.00 0.00 O ATOM 2233 CB LYS A 141 -6.989 12.434 9.853 1.00 0.00 C ATOM 2234 CG LYS A 141 -6.099 11.677 10.841 1.00 0.00 C ATOM 2235 CD LYS A 141 -4.669 11.555 10.308 1.00 0.00 C ATOM 2236 CE LYS A 141 -3.691 12.347 11.178 1.00 0.00 C ATOM 2237 NZ LYS A 141 -3.428 11.631 12.446 1.00 0.00 N ATOM 0 H LYS A 141 -5.998 11.231 7.936 1.00 0.00 H new ATOM 0 HA LYS A 141 -8.096 10.654 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -6.373 13.069 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -7.667 13.091 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -6.091 12.196 11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -6.511 10.684 11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -4.374 10.506 10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -4.627 11.920 9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -2.756 12.499 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -4.101 13.335 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -2.762 12.182 13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -4.320 11.508 12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -3.017 10.698 12.239 1.00 0.00 H new ATOM 2251 N GLU A 142 -8.896 13.120 7.624 1.00 0.00 N ATOM 2252 CA GLU A 142 -10.024 13.798 7.010 1.00 0.00 C ATOM 2253 C GLU A 142 -11.056 12.779 6.523 1.00 0.00 C ATOM 2254 O GLU A 142 -12.236 12.877 6.855 1.00 0.00 O ATOM 2255 CB GLU A 142 -9.563 14.701 5.864 1.00 0.00 C ATOM 2256 CG GLU A 142 -8.944 15.994 6.400 1.00 0.00 C ATOM 2257 CD GLU A 142 -8.604 16.953 5.257 1.00 0.00 C ATOM 2258 OE1 GLU A 142 -9.562 17.494 4.665 1.00 0.00 O ATOM 2259 OE2 GLU A 142 -7.392 17.124 5.002 1.00 0.00 O ATOM 0 H GLU A 142 -7.984 13.516 7.395 1.00 0.00 H new ATOM 0 HA GLU A 142 -10.495 14.431 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -8.834 14.172 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -10.410 14.939 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -9.638 16.475 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -8.042 15.762 6.966 1.00 0.00 H new