USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 618 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 Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= -0.0376 (180deg=-0.0376) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -77:sc= 0.208 USER MOD Single : A 46 THR OG1 : rot 73:sc= 0.502 USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= 1.24 (180deg=1.02) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 1.71 (180deg=1.47) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 120 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.04) USER MOD Single : B 122 MET CE :methyl -165:sc=-0.00644 (180deg=-0.126) USER MOD Single : B 133 SER OG : rot 31:sc= 0.036 USER MOD Single : B 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 139 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 144 SER OG : rot 180:sc= 0 USER MOD Single : B 146 THR OG1 : rot 73:sc= 0.607 USER MOD Single : B 149 LYS NZ :NH3+ -151:sc= 1.2 (180deg=1.04) USER MOD Single : B 152 LYS NZ :NH3+ -154:sc= 2.09 (180deg=1.71) USER MOD Single : B 155 ASN : amide:sc= -0.0384 K(o=-0.038,f=-1.5!) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.259 12.720 0.008 1.00 0.00 N ATOM 115 CA PRO A 10 -10.308 11.908 -0.606 1.00 0.00 C ATOM 116 C PRO A 10 -9.778 10.607 -1.234 1.00 0.00 C ATOM 117 O PRO A 10 -8.587 10.455 -1.528 1.00 0.00 O ATOM 118 CB PRO A 10 -11.000 12.825 -1.616 1.00 0.00 C ATOM 119 CG PRO A 10 -9.900 13.814 -2.001 1.00 0.00 C ATOM 120 CD PRO A 10 -9.142 13.996 -0.688 1.00 0.00 C ATOM 0 HA PRO A 10 -11.013 11.550 0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.363 12.270 -2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.860 13.330 -1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.258 13.420 -2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.311 14.755 -2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.098 14.250 -0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.569 14.806 -0.097 1.00 0.00 H new ATOM 128 N ILE A 11 -10.676 9.640 -1.435 1.00 0.00 N ATOM 129 CA ILE A 11 -10.321 8.275 -1.848 1.00 0.00 C ATOM 130 C ILE A 11 -9.701 8.183 -3.248 1.00 0.00 C ATOM 131 O ILE A 11 -8.824 7.351 -3.481 1.00 0.00 O ATOM 132 CB ILE A 11 -11.538 7.342 -1.682 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.074 5.877 -1.777 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.674 7.641 -2.677 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.128 4.896 -1.276 1.00 0.00 C ATOM 0 H ILE A 11 -11.679 9.781 -1.315 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.526 7.940 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.964 7.526 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.829 5.644 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.160 5.751 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.499 6.949 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.023 8.664 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.306 7.522 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.749 3.878 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.355 5.108 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.034 5.000 -1.873 1.00 0.00 H new ATOM 147 N ASP A 12 -10.087 9.065 -4.173 1.00 0.00 N ATOM 148 CA ASP A 12 -9.472 9.138 -5.502 1.00 0.00 C ATOM 149 C ASP A 12 -8.046 9.716 -5.461 1.00 0.00 C ATOM 150 O ASP A 12 -7.223 9.365 -6.303 1.00 0.00 O ATOM 151 CB ASP A 12 -10.358 9.919 -6.487 1.00 0.00 C ATOM 152 CG ASP A 12 -10.661 11.393 -6.150 1.00 0.00 C ATOM 153 OD1 ASP A 12 -10.417 11.856 -5.009 1.00 0.00 O ATOM 154 OD2 ASP A 12 -11.169 12.107 -7.049 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.831 9.746 -4.024 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.387 8.113 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.881 9.888 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.308 9.392 -6.578 1.00 0.00 H new ATOM 159 N GLU A 13 -7.700 10.548 -4.469 1.00 0.00 N ATOM 160 CA GLU A 13 -6.345 11.079 -4.280 1.00 0.00 C ATOM 161 C GLU A 13 -5.390 9.988 -3.778 1.00 0.00 C ATOM 162 O GLU A 13 -4.361 9.748 -4.408 1.00 0.00 O ATOM 163 CB GLU A 13 -6.396 12.305 -3.349 1.00 0.00 C ATOM 164 CG GLU A 13 -5.052 13.004 -3.091 1.00 0.00 C ATOM 165 CD GLU A 13 -4.528 13.861 -4.266 1.00 0.00 C ATOM 166 OE1 GLU A 13 -3.581 14.653 -4.041 1.00 0.00 O ATOM 167 OE2 GLU A 13 -5.046 13.780 -5.403 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.363 10.875 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.946 11.410 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.087 13.033 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.812 11.993 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.153 13.641 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.305 12.247 -2.851 1.00 0.00 H new ATOM 174 N LEU A 14 -5.735 9.266 -2.698 1.00 0.00 N ATOM 175 CA LEU A 14 -4.887 8.174 -2.194 1.00 0.00 C ATOM 176 C LEU A 14 -4.796 6.991 -3.180 1.00 0.00 C ATOM 177 O LEU A 14 -3.730 6.376 -3.300 1.00 0.00 O ATOM 178 CB LEU A 14 -5.321 7.758 -0.772 1.00 0.00 C ATOM 179 CG LEU A 14 -6.730 7.158 -0.629 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.693 5.631 -0.627 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.379 7.592 0.685 1.00 0.00 C ATOM 0 H LEU A 14 -6.589 9.418 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.867 8.550 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.601 7.031 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.257 8.634 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.303 7.520 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.706 5.243 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.262 5.276 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.085 5.283 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.374 7.154 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.768 7.253 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.458 8.679 0.710 1.00 0.00 H new ATOM 193 N SER A 15 -5.861 6.708 -3.941 1.00 0.00 N ATOM 194 CA SER A 15 -5.843 5.731 -5.041 1.00 0.00 C ATOM 195 C SER A 15 -4.953 6.184 -6.214 1.00 0.00 C ATOM 196 O SER A 15 -4.159 5.391 -6.725 1.00 0.00 O ATOM 197 CB SER A 15 -7.275 5.455 -5.503 1.00 0.00 C ATOM 198 OG SER A 15 -7.297 4.482 -6.536 1.00 0.00 O ATOM 0 H SER A 15 -6.769 7.154 -3.810 1.00 0.00 H new ATOM 0 HA SER A 15 -5.403 4.807 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.873 5.109 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.731 6.379 -5.859 1.00 0.00 H new ATOM 0 HG SER A 15 -8.223 4.321 -6.814 1.00 0.00 H new ATOM 204 N ALA A 16 -4.996 7.461 -6.620 1.00 0.00 N ATOM 205 CA ALA A 16 -4.062 7.997 -7.612 1.00 0.00 C ATOM 206 C ALA A 16 -2.604 8.005 -7.122 1.00 0.00 C ATOM 207 O ALA A 16 -1.694 7.767 -7.917 1.00 0.00 O ATOM 208 CB ALA A 16 -4.505 9.412 -8.010 1.00 0.00 C ATOM 0 H ALA A 16 -5.672 8.142 -6.273 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.087 7.337 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.813 9.816 -8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.508 9.373 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.510 10.053 -7.129 1.00 0.00 H new ATOM 214 N LEU A 17 -2.355 8.259 -5.833 1.00 0.00 N ATOM 215 CA LEU A 17 -1.009 8.283 -5.249 1.00 0.00 C ATOM 216 C LEU A 17 -0.346 6.901 -5.295 1.00 0.00 C ATOM 217 O LEU A 17 0.755 6.796 -5.829 1.00 0.00 O ATOM 218 CB LEU A 17 -1.062 8.853 -3.816 1.00 0.00 C ATOM 219 CG LEU A 17 -0.573 10.309 -3.707 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.347 11.301 -4.579 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.677 10.775 -2.250 1.00 0.00 C ATOM 0 H LEU A 17 -3.092 8.456 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.384 8.943 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.087 8.796 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.455 8.226 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 17 0.456 10.302 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.938 12.302 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.257 11.012 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.398 11.296 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.331 11.806 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.715 10.715 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.059 10.136 -1.619 1.00 0.00 H new ATOM 233 N LEU A 18 -0.988 5.826 -4.816 1.00 0.00 N ATOM 234 CA LEU A 18 -0.392 4.478 -4.871 1.00 0.00 C ATOM 235 C LEU A 18 -0.161 3.996 -6.313 1.00 0.00 C ATOM 236 O LEU A 18 0.840 3.330 -6.580 1.00 0.00 O ATOM 237 CB LEU A 18 -1.197 3.477 -4.014 1.00 0.00 C ATOM 238 CG LEU A 18 -2.608 3.117 -4.517 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.648 1.899 -5.444 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.509 2.771 -3.333 1.00 0.00 C ATOM 0 H LEU A 18 -1.913 5.860 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 18 0.602 4.539 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.619 2.556 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.288 3.886 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.942 3.995 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.676 1.711 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.033 2.091 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.263 1.027 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.505 2.517 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.091 1.920 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.574 3.628 -2.663 1.00 0.00 H new ATOM 252 N ARG A 19 -1.033 4.366 -7.264 1.00 0.00 N ATOM 253 CA ARG A 19 -0.871 3.996 -8.683 1.00 0.00 C ATOM 254 C ARG A 19 0.264 4.773 -9.358 1.00 0.00 C ATOM 255 O ARG A 19 1.054 4.167 -10.077 1.00 0.00 O ATOM 256 CB ARG A 19 -2.211 4.138 -9.420 1.00 0.00 C ATOM 257 CG ARG A 19 -3.212 3.062 -8.955 1.00 0.00 C ATOM 258 CD ARG A 19 -4.417 2.937 -9.889 1.00 0.00 C ATOM 259 NE ARG A 19 -4.005 2.288 -11.143 1.00 0.00 N ATOM 260 CZ ARG A 19 -4.742 1.681 -12.046 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.040 1.667 -12.012 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -4.134 1.060 -13.014 1.00 0.00 N ATOM 0 H ARG A 19 -1.865 4.926 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.574 2.949 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.627 5.129 -9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.050 4.051 -10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.703 2.100 -8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.559 3.304 -7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.204 2.355 -9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.832 3.923 -10.097 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.004 2.313 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.536 2.143 -11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.564 1.180 -12.739 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.115 1.054 -13.056 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.676 0.579 -13.731 1.00 0.00 H new ATOM 276 N GLN A 20 0.421 6.066 -9.059 1.00 0.00 N ATOM 277 CA GLN A 20 1.558 6.875 -9.518 1.00 0.00 C ATOM 278 C GLN A 20 2.885 6.467 -8.857 1.00 0.00 C ATOM 279 O GLN A 20 3.917 6.452 -9.531 1.00 0.00 O ATOM 280 CB GLN A 20 1.276 8.367 -9.292 1.00 0.00 C ATOM 281 CG GLN A 20 0.261 8.924 -10.303 1.00 0.00 C ATOM 282 CD GLN A 20 -0.194 10.331 -9.928 1.00 0.00 C ATOM 283 OE1 GLN A 20 0.155 11.322 -10.558 1.00 0.00 O ATOM 284 NE2 GLN A 20 -0.968 10.473 -8.872 1.00 0.00 N ATOM 0 H GLN A 20 -0.243 6.587 -8.486 1.00 0.00 H new ATOM 0 HA GLN A 20 1.672 6.688 -10.586 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.898 8.515 -8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.208 8.927 -9.369 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.708 8.939 -11.297 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.604 8.263 -10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.263 9.653 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.272 11.403 -8.584 1.00 0.00 H new ATOM 293 N GLU A 21 2.884 6.043 -7.587 1.00 0.00 N ATOM 294 CA GLU A 21 4.054 5.447 -6.918 1.00 0.00 C ATOM 295 C GLU A 21 4.495 4.132 -7.577 1.00 0.00 C ATOM 296 O GLU A 21 5.694 3.850 -7.663 1.00 0.00 O ATOM 297 CB GLU A 21 3.760 5.213 -5.422 1.00 0.00 C ATOM 298 CG GLU A 21 3.750 6.490 -4.565 1.00 0.00 C ATOM 299 CD GLU A 21 5.147 7.065 -4.266 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.162 6.581 -4.826 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.228 8.016 -3.446 1.00 0.00 O1- ATOM 0 H GLU A 21 2.062 6.104 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 21 4.875 6.157 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.792 4.720 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.507 4.528 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.159 7.251 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.249 6.276 -3.621 1.00 0.00 H new ATOM 308 N MET A 22 3.547 3.350 -8.101 1.00 0.00 N ATOM 309 CA MET A 22 3.795 2.155 -8.926 1.00 0.00 C ATOM 310 C MET A 22 4.092 2.454 -10.411 1.00 0.00 C ATOM 311 O MET A 22 4.343 1.530 -11.190 1.00 0.00 O ATOM 312 CB MET A 22 2.615 1.183 -8.764 1.00 0.00 C ATOM 313 CG MET A 22 2.663 0.534 -7.381 1.00 0.00 C ATOM 314 SD MET A 22 1.453 -0.787 -7.133 1.00 0.00 S ATOM 315 CE MET A 22 -0.007 0.176 -6.691 1.00 0.00 C ATOM 0 H MET A 22 2.553 3.533 -7.961 1.00 0.00 H new ATOM 0 HA MET A 22 4.713 1.695 -8.560 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.673 1.716 -8.893 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.656 0.416 -9.537 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.662 0.130 -7.217 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.502 1.304 -6.626 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.844 -0.497 -6.506 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.198 0.756 -5.791 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.258 0.852 -7.509 1.00 0.00 H new ATOM 325 N GLY A 23 4.100 3.728 -10.817 1.00 0.00 N ATOM 326 CA GLY A 23 4.446 4.166 -12.173 1.00 0.00 C ATOM 327 C GLY A 23 3.321 4.070 -13.215 1.00 0.00 C ATOM 328 O GLY A 23 3.596 4.195 -14.411 1.00 0.00 O ATOM 0 H GLY A 23 3.860 4.502 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.783 5.201 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.290 3.572 -12.522 1.00 0.00 H new ATOM 420 N MET A 34 -16.546 -3.964 -4.396 1.00 0.00 N ATOM 421 CA MET A 34 -15.825 -5.099 -3.798 1.00 0.00 C ATOM 422 C MET A 34 -14.720 -5.660 -4.712 1.00 0.00 C ATOM 423 O MET A 34 -13.688 -6.126 -4.226 1.00 0.00 O ATOM 424 CB MET A 34 -16.824 -6.197 -3.386 1.00 0.00 C ATOM 425 CG MET A 34 -17.232 -6.014 -1.917 1.00 0.00 C ATOM 426 SD MET A 34 -15.906 -6.425 -0.739 1.00 0.00 S ATOM 427 CE MET A 34 -16.423 -5.442 0.693 1.00 0.00 C ATOM 0 HA MET A 34 -15.314 -4.728 -2.909 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.706 -6.155 -4.025 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.375 -7.180 -3.527 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.540 -4.980 -1.760 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.100 -6.640 -1.708 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.712 -5.583 1.507 1.00 0.00 H new ATOM 0 HE2 MET A 34 -16.455 -4.388 0.418 1.00 0.00 H new ATOM 0 HE3 MET A 34 -17.413 -5.763 1.016 1.00 0.00 H new ATOM 437 N GLN A 35 -14.877 -5.562 -6.035 1.00 0.00 N ATOM 438 CA GLN A 35 -13.826 -5.935 -6.992 1.00 0.00 C ATOM 439 C GLN A 35 -12.690 -4.900 -7.047 1.00 0.00 C ATOM 440 O GLN A 35 -11.531 -5.280 -7.237 1.00 0.00 O ATOM 441 CB GLN A 35 -14.439 -6.139 -8.390 1.00 0.00 C ATOM 442 CG GLN A 35 -15.475 -7.281 -8.414 1.00 0.00 C ATOM 443 CD GLN A 35 -15.950 -7.654 -9.822 1.00 0.00 C ATOM 444 OE1 GLN A 35 -15.664 -7.002 -10.823 1.00 0.00 O ATOM 445 NE2 GLN A 35 -16.710 -8.718 -9.961 1.00 0.00 N ATOM 0 H GLN A 35 -15.733 -5.223 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.385 -6.870 -6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.914 -5.213 -8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.645 -6.357 -9.104 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.042 -8.162 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.338 -6.989 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.961 -9.276 -9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.048 -8.986 -10.885 1.00 0.00 H new ATOM 454 N ASP A 36 -12.987 -3.607 -6.865 1.00 0.00 N ATOM 455 CA ASP A 36 -11.982 -2.533 -6.868 1.00 0.00 C ATOM 456 C ASP A 36 -11.133 -2.526 -5.593 1.00 0.00 C ATOM 457 O ASP A 36 -9.907 -2.447 -5.674 1.00 0.00 O ATOM 458 CB ASP A 36 -12.627 -1.156 -7.099 1.00 0.00 C ATOM 459 CG ASP A 36 -13.116 -0.888 -8.536 1.00 0.00 C ATOM 460 OD1 ASP A 36 -13.042 -1.779 -9.414 1.00 0.00 O ATOM 461 OD2 ASP A 36 -13.559 0.257 -8.793 1.00 0.00 O1- ATOM 0 H ASP A 36 -13.938 -3.273 -6.710 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.313 -2.740 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.473 -1.051 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.905 -0.385 -6.829 1.00 0.00 H new ATOM 466 N ILE A 37 -11.753 -2.657 -4.411 1.00 0.00 N ATOM 467 CA ILE A 37 -11.027 -2.690 -3.129 1.00 0.00 C ATOM 468 C ILE A 37 -10.069 -3.890 -3.033 1.00 0.00 C ATOM 469 O ILE A 37 -8.923 -3.711 -2.611 1.00 0.00 O ATOM 470 CB ILE A 37 -11.996 -2.627 -1.930 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.214 -2.497 -0.599 1.00 0.00 C ATOM 472 CG2 ILE A 37 -12.953 -3.821 -1.880 1.00 0.00 C ATOM 473 CD1 ILE A 37 -12.105 -2.250 0.626 1.00 0.00 C ATOM 0 H ILE A 37 -12.765 -2.743 -4.315 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.405 -1.795 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.609 -1.737 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.637 -3.407 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.500 -1.678 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.611 -3.724 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.551 -3.846 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.379 -4.744 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.483 -2.171 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.663 -1.324 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.802 -3.080 0.742 1.00 0.00 H new ATOM 485 N GLN A 38 -10.485 -5.086 -3.477 1.00 0.00 N ATOM 486 CA GLN A 38 -9.623 -6.275 -3.484 1.00 0.00 C ATOM 487 C GLN A 38 -8.386 -6.050 -4.370 1.00 0.00 C ATOM 488 O GLN A 38 -7.268 -6.341 -3.941 1.00 0.00 O ATOM 489 CB GLN A 38 -10.394 -7.526 -3.949 1.00 0.00 C ATOM 490 CG GLN A 38 -11.307 -8.119 -2.864 1.00 0.00 C ATOM 491 CD GLN A 38 -11.911 -9.450 -3.316 1.00 0.00 C ATOM 492 OE1 GLN A 38 -13.011 -9.526 -3.843 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.215 -10.559 -3.158 1.00 0.00 N ATOM 0 H GLN A 38 -11.424 -5.254 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.291 -6.444 -2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.997 -7.269 -4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.680 -8.286 -4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.737 -8.268 -1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.106 -7.414 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.294 -10.525 -2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.598 -11.451 -3.473 1.00 0.00 H new ATOM 502 N GLN A 39 -8.567 -5.483 -5.572 1.00 0.00 N ATOM 503 CA GLN A 39 -7.467 -5.198 -6.497 1.00 0.00 C ATOM 504 C GLN A 39 -6.523 -4.094 -5.986 1.00 0.00 C ATOM 505 O GLN A 39 -5.312 -4.308 -5.933 1.00 0.00 O ATOM 506 CB GLN A 39 -8.017 -4.850 -7.890 1.00 0.00 C ATOM 507 CG GLN A 39 -8.566 -6.095 -8.606 1.00 0.00 C ATOM 508 CD GLN A 39 -9.223 -5.740 -9.935 1.00 0.00 C ATOM 509 OE1 GLN A 39 -8.639 -5.872 -11.006 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.453 -5.269 -9.915 1.00 0.00 N ATOM 0 H GLN A 39 -9.483 -5.210 -5.928 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.867 -6.105 -6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.807 -4.106 -7.795 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.227 -4.401 -8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.755 -6.802 -8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.292 -6.593 -7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.942 -5.158 -9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.916 -5.016 -10.788 1.00 0.00 H new ATOM 519 N LEU A 40 -7.040 -2.927 -5.578 1.00 0.00 N ATOM 520 CA LEU A 40 -6.221 -1.781 -5.131 1.00 0.00 C ATOM 521 C LEU A 40 -5.423 -2.101 -3.855 1.00 0.00 C ATOM 522 O LEU A 40 -4.220 -1.829 -3.781 1.00 0.00 O ATOM 523 CB LEU A 40 -7.126 -0.555 -4.899 1.00 0.00 C ATOM 524 CG LEU A 40 -7.744 0.042 -6.176 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.863 1.012 -5.806 1.00 0.00 C ATOM 526 CD2 LEU A 40 -6.702 0.804 -7.002 1.00 0.00 C ATOM 0 H LEU A 40 -8.043 -2.746 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.498 -1.563 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.931 -0.838 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.544 0.219 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.131 -0.786 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.296 1.431 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.634 0.482 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.459 1.817 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.174 1.212 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.290 1.618 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.900 0.125 -7.292 1.00 0.00 H new ATOM 538 N LEU A 41 -6.075 -2.730 -2.866 1.00 0.00 N ATOM 539 CA LEU A 41 -5.455 -3.064 -1.585 1.00 0.00 C ATOM 540 C LEU A 41 -4.460 -4.238 -1.692 1.00 0.00 C ATOM 541 O LEU A 41 -3.498 -4.295 -0.924 1.00 0.00 O ATOM 542 CB LEU A 41 -6.583 -3.288 -0.558 1.00 0.00 C ATOM 543 CG LEU A 41 -6.161 -3.241 0.922 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.588 -1.872 1.292 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.377 -3.456 1.830 1.00 0.00 C ATOM 0 H LEU A 41 -7.050 -3.020 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.832 -2.237 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.352 -2.533 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.041 -4.257 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.414 -4.022 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.299 -1.870 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.714 -1.665 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.342 -1.104 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.063 -3.420 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.112 -2.673 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.822 -4.428 1.618 1.00 0.00 H new ATOM 557 N ALA A 42 -4.624 -5.131 -2.679 1.00 0.00 N ATOM 558 CA ALA A 42 -3.618 -6.140 -3.034 1.00 0.00 C ATOM 559 C ALA A 42 -2.448 -5.563 -3.859 1.00 0.00 C ATOM 560 O ALA A 42 -1.299 -5.950 -3.648 1.00 0.00 O ATOM 561 CB ALA A 42 -4.296 -7.281 -3.790 1.00 0.00 C ATOM 0 H ALA A 42 -5.464 -5.173 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.181 -6.510 -2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.553 -8.033 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.060 -7.733 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.759 -6.892 -4.697 1.00 0.00 H new ATOM 567 N LYS A 43 -2.696 -4.616 -4.779 1.00 0.00 N ATOM 568 CA LYS A 43 -1.654 -4.006 -5.625 1.00 0.00 C ATOM 569 C LYS A 43 -0.669 -3.170 -4.800 1.00 0.00 C ATOM 570 O LYS A 43 0.542 -3.343 -4.936 1.00 0.00 O ATOM 571 CB LYS A 43 -2.306 -3.208 -6.770 1.00 0.00 C ATOM 572 CG LYS A 43 -1.324 -3.068 -7.941 1.00 0.00 C ATOM 573 CD LYS A 43 -1.797 -2.096 -9.038 1.00 0.00 C ATOM 574 CE LYS A 43 -0.647 -1.885 -10.033 1.00 0.00 C ATOM 575 NZ LYS A 43 -1.056 -1.137 -11.250 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.631 -4.249 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.058 -4.800 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.213 -3.712 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.602 -2.221 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.362 -2.727 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.161 -4.050 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.671 -2.499 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.096 -1.145 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.160 -1.346 -9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.248 -2.855 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.237 -1.027 -11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.806 -1.661 -11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.411 -0.198 -10.978 1.00 0.00 H new ATOM 589 N SER A 44 -1.166 -2.334 -3.884 1.00 0.00 N ATOM 590 CA SER A 44 -0.316 -1.599 -2.936 1.00 0.00 C ATOM 591 C SER A 44 0.435 -2.527 -1.958 1.00 0.00 C ATOM 592 O SER A 44 1.609 -2.283 -1.676 1.00 0.00 O ATOM 593 CB SER A 44 -1.146 -0.559 -2.177 1.00 0.00 C ATOM 594 OG SER A 44 -2.221 -1.161 -1.482 1.00 0.00 O ATOM 0 H SER A 44 -2.163 -2.147 -3.777 1.00 0.00 H new ATOM 0 HA SER A 44 0.449 -1.089 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.508 -0.027 -1.472 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.533 0.181 -2.878 1.00 0.00 H new ATOM 0 HG SER A 44 -2.935 -1.386 -2.115 1.00 0.00 H new ATOM 600 N LEU A 45 -0.170 -3.637 -1.509 1.00 0.00 N ATOM 601 CA LEU A 45 0.507 -4.686 -0.726 1.00 0.00 C ATOM 602 C LEU A 45 1.657 -5.344 -1.518 1.00 0.00 C ATOM 603 O LEU A 45 2.754 -5.542 -0.990 1.00 0.00 O ATOM 604 CB LEU A 45 -0.572 -5.670 -0.210 1.00 0.00 C ATOM 605 CG LEU A 45 -0.153 -6.935 0.563 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.298 -8.076 -0.351 1.00 0.00 C ATOM 607 CD2 LEU A 45 0.910 -6.671 1.624 1.00 0.00 C ATOM 0 H LEU A 45 -1.156 -3.835 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 45 1.009 -4.259 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.245 -5.104 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.154 -5.995 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.064 -7.249 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.580 -8.937 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.519 -8.353 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.155 -7.752 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.159 -7.604 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.804 -6.266 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.528 -5.954 2.351 1.00 0.00 H new ATOM 619 N THR A 46 1.447 -5.620 -2.805 1.00 0.00 N ATOM 620 CA THR A 46 2.482 -6.161 -3.707 1.00 0.00 C ATOM 621 C THR A 46 3.664 -5.197 -3.867 1.00 0.00 C ATOM 622 O THR A 46 4.815 -5.632 -3.883 1.00 0.00 O ATOM 623 CB THR A 46 1.885 -6.539 -5.074 1.00 0.00 C ATOM 624 OG1 THR A 46 0.887 -7.528 -4.909 1.00 0.00 O ATOM 625 CG2 THR A 46 2.914 -7.122 -6.046 1.00 0.00 C ATOM 0 H THR A 46 0.547 -5.475 -3.262 1.00 0.00 H new ATOM 0 HA THR A 46 2.868 -7.069 -3.245 1.00 0.00 H new ATOM 0 HB THR A 46 1.490 -5.610 -5.486 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.090 -7.124 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.426 -7.366 -6.989 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.702 -6.390 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.348 -8.025 -5.618 1.00 0.00 H new ATOM 633 N GLU A 47 3.422 -3.884 -3.913 1.00 0.00 N ATOM 634 CA GLU A 47 4.491 -2.875 -3.982 1.00 0.00 C ATOM 635 C GLU A 47 5.353 -2.812 -2.710 1.00 0.00 C ATOM 636 O GLU A 47 6.566 -2.639 -2.813 1.00 0.00 O ATOM 637 CB GLU A 47 3.884 -1.505 -4.316 1.00 0.00 C ATOM 638 CG GLU A 47 4.884 -0.354 -4.541 1.00 0.00 C ATOM 639 CD GLU A 47 5.732 -0.483 -5.826 1.00 0.00 C ATOM 640 OE1 GLU A 47 5.728 -1.546 -6.489 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.432 0.488 -6.196 1.00 0.00 O1- ATOM 0 H GLU A 47 2.482 -3.488 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 47 5.172 -3.175 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.275 -1.610 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.212 -1.221 -3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.334 0.586 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.554 -0.299 -3.683 1.00 0.00 H new ATOM 648 N ILE A 48 4.770 -3.016 -1.520 1.00 0.00 N ATOM 649 CA ILE A 48 5.540 -3.127 -0.264 1.00 0.00 C ATOM 650 C ILE A 48 6.518 -4.310 -0.350 1.00 0.00 C ATOM 651 O ILE A 48 7.711 -4.155 -0.091 1.00 0.00 O ATOM 652 CB ILE A 48 4.610 -3.266 0.965 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.725 -2.010 1.136 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.413 -3.525 2.257 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.509 -2.240 2.033 1.00 0.00 C ATOM 0 H ILE A 48 3.762 -3.109 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 48 6.110 -2.207 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 48 3.966 -4.127 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.328 -1.204 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.386 -1.678 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.727 -3.617 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.984 -4.447 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.095 -2.694 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.933 -1.318 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.884 -3.024 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.841 -2.543 3.026 1.00 0.00 H new ATOM 667 N LYS A 49 6.025 -5.480 -0.788 1.00 0.00 N ATOM 668 CA LYS A 49 6.840 -6.690 -0.995 1.00 0.00 C ATOM 669 C LYS A 49 7.942 -6.475 -2.040 1.00 0.00 C ATOM 670 O LYS A 49 9.082 -6.891 -1.809 1.00 0.00 O ATOM 671 CB LYS A 49 5.927 -7.870 -1.375 1.00 0.00 C ATOM 672 CG LYS A 49 5.017 -8.309 -0.211 1.00 0.00 C ATOM 673 CD LYS A 49 4.053 -9.425 -0.654 1.00 0.00 C ATOM 674 CE LYS A 49 3.130 -9.902 0.471 1.00 0.00 C ATOM 675 NZ LYS A 49 3.848 -10.671 1.517 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.039 -5.615 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 49 7.348 -6.922 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.310 -7.588 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.541 -8.714 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.628 -8.660 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.447 -7.454 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.447 -9.065 -1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.632 -10.271 -1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.647 -9.039 0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.340 -10.523 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.248 -11.455 1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.731 -11.053 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.069 -10.045 2.318 1.00 0.00 H new ATOM 689 N ARG A 50 7.642 -5.781 -3.148 1.00 0.00 N ATOM 690 CA ARG A 50 8.608 -5.452 -4.213 1.00 0.00 C ATOM 691 C ARG A 50 9.735 -4.542 -3.715 1.00 0.00 C ATOM 692 O ARG A 50 10.903 -4.839 -3.960 1.00 0.00 O ATOM 693 CB ARG A 50 7.878 -4.822 -5.414 1.00 0.00 C ATOM 694 CG ARG A 50 8.775 -4.777 -6.664 1.00 0.00 C ATOM 695 CD ARG A 50 8.096 -4.076 -7.851 1.00 0.00 C ATOM 696 NE ARG A 50 7.980 -2.616 -7.652 1.00 0.00 N ATOM 697 CZ ARG A 50 8.843 -1.679 -7.995 1.00 0.00 C ATOM 698 NH1 ARG A 50 9.979 -1.948 -8.578 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 8.579 -0.433 -7.748 1.00 0.00 N ATOM 0 H ARG A 50 6.705 -5.425 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 50 9.077 -6.383 -4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.976 -5.394 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.560 -3.812 -5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.703 -4.259 -6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.043 -5.794 -6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.666 -4.272 -8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.103 -4.500 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 50 7.128 -2.293 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.229 -2.915 -8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.617 -1.192 -8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.705 -0.178 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.246 0.292 -8.013 1.00 0.00 H new ATOM 713 N LEU A 51 9.415 -3.469 -2.991 1.00 0.00 N ATOM 714 CA LEU A 51 10.414 -2.539 -2.442 1.00 0.00 C ATOM 715 C LEU A 51 11.266 -3.179 -1.337 1.00 0.00 C ATOM 716 O LEU A 51 12.475 -2.944 -1.309 1.00 0.00 O ATOM 717 CB LEU A 51 9.722 -1.249 -1.944 1.00 0.00 C ATOM 718 CG LEU A 51 9.653 -0.107 -2.977 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.035 0.497 -3.237 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.053 -0.530 -4.315 1.00 0.00 C ATOM 0 H LEU A 51 8.453 -3.216 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 51 11.102 -2.280 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.708 -1.497 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.250 -0.889 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 51 8.993 0.635 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.949 1.299 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.438 0.897 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.703 -0.275 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.036 0.324 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.658 -1.326 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.036 -0.891 -4.160 1.00 0.00 H new ATOM 732 N LYS A 52 10.693 -4.032 -0.478 1.00 0.00 N ATOM 733 CA LYS A 52 11.469 -4.835 0.484 1.00 0.00 C ATOM 734 C LYS A 52 12.461 -5.774 -0.210 1.00 0.00 C ATOM 735 O LYS A 52 13.638 -5.793 0.156 1.00 0.00 O ATOM 736 CB LYS A 52 10.532 -5.632 1.407 1.00 0.00 C ATOM 737 CG LYS A 52 9.893 -4.733 2.474 1.00 0.00 C ATOM 738 CD LYS A 52 9.003 -5.538 3.422 1.00 0.00 C ATOM 739 CE LYS A 52 8.372 -4.624 4.478 1.00 0.00 C ATOM 740 NZ LYS A 52 7.666 -5.424 5.507 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.686 -4.186 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 52 12.051 -4.137 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.750 -6.105 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.092 -6.432 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.674 -4.231 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.302 -3.955 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.220 -6.041 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.592 -6.314 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.145 -4.016 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.673 -3.937 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.955 -4.831 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.195 -6.234 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.351 -5.770 6.208 1.00 0.00 H new ATOM 754 N ALA A 53 12.025 -6.488 -1.248 1.00 0.00 N ATOM 755 CA ALA A 53 12.887 -7.370 -2.034 1.00 0.00 C ATOM 756 C ALA A 53 13.997 -6.606 -2.778 1.00 0.00 C ATOM 757 O ALA A 53 15.152 -7.034 -2.774 1.00 0.00 O ATOM 758 CB ALA A 53 12.002 -8.167 -3.004 1.00 0.00 C ATOM 0 H ALA A 53 11.057 -6.470 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 53 13.407 -8.049 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.625 -8.833 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.281 -8.756 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.472 -7.479 -3.662 1.00 0.00 H new ATOM 764 N ALA A 54 13.681 -5.451 -3.377 1.00 0.00 N ATOM 765 CA ALA A 54 14.653 -4.594 -4.057 1.00 0.00 C ATOM 766 C ALA A 54 15.718 -4.025 -3.095 1.00 0.00 C ATOM 767 O ALA A 54 16.913 -4.065 -3.396 1.00 0.00 O ATOM 768 CB ALA A 54 13.885 -3.474 -4.770 1.00 0.00 C ATOM 0 H ALA A 54 12.730 -5.083 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 54 15.206 -5.191 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.589 -2.821 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.197 -3.909 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.322 -2.895 -4.037 1.00 0.00 H new ATOM 774 N ASN A 55 15.296 -3.551 -1.918 1.00 0.00 N ATOM 775 CA ASN A 55 16.196 -3.071 -0.871 1.00 0.00 C ATOM 776 C ASN A 55 17.099 -4.214 -0.343 1.00 0.00 C ATOM 777 O ASN A 55 18.313 -4.064 -0.222 1.00 0.00 O ATOM 778 CB ASN A 55 15.338 -2.417 0.235 1.00 0.00 C ATOM 779 CG ASN A 55 16.129 -1.543 1.200 1.00 0.00 C ATOM 780 OD1 ASN A 55 17.344 -1.559 1.266 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.454 -0.719 1.973 1.00 0.00 N ATOM 0 H ASN A 55 14.310 -3.490 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 55 16.881 -2.322 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.561 -1.812 -0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.835 -3.201 0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.950 -0.103 2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.435 -0.696 1.927 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.801 -13.955 -0.231 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.829 -13.116 0.393 1.00 0.00 C ATOM 1056 C PRO B 110 -10.258 -11.857 1.066 1.00 0.00 C ATOM 1057 O PRO B 110 -9.076 -11.772 1.407 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.564 -14.034 1.379 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.507 -15.074 1.743 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.761 -15.254 0.423 1.00 0.00 C ATOM 0 HA PRO B 110 -11.509 -12.713 -0.357 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.910 -13.488 2.256 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.441 -14.494 0.924 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.849 -14.724 2.538 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.955 -16.006 2.088 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.733 -15.575 0.594 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -10.235 -16.018 -0.194 1.00 0.00 H new ATOM 1068 N ILE B 111 -11.114 -10.846 1.248 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.693 -9.490 1.627 1.00 0.00 C ATOM 1070 C ILE B 111 -10.104 -9.379 3.042 1.00 0.00 C ATOM 1071 O ILE B 111 -9.243 -8.529 3.297 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.860 -8.513 1.382 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -11.336 -7.069 1.368 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -13.007 -8.687 2.395 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -12.331 -6.110 0.724 1.00 0.00 C ATOM 0 H ILE B 111 -12.123 -10.944 1.136 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.855 -9.215 0.987 1.00 0.00 H new ATOM 0 HB ILE B 111 -12.287 -8.746 0.407 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -11.130 -6.747 2.389 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -10.391 -7.031 0.825 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.800 -7.973 2.173 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -13.402 -9.701 2.327 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.632 -8.511 3.403 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.922 -5.100 0.734 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -12.517 -6.416 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -13.267 -6.128 1.282 1.00 0.00 H new ATOM 1087 N ASP B 112 -10.508 -10.251 3.968 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.908 -10.342 5.303 1.00 0.00 C ATOM 1089 C ASP B 112 -8.470 -10.905 5.269 1.00 0.00 C ATOM 1090 O ASP B 112 -7.659 -10.546 6.119 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.812 -11.141 6.263 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.146 -12.594 5.870 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -10.912 -13.019 4.716 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -11.683 -13.324 6.744 1.00 0.00 O1- ATOM 0 H ASP B 112 -11.264 -10.918 3.813 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.828 -9.325 5.687 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.334 -11.157 7.242 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -11.750 -10.597 6.375 1.00 0.00 H new ATOM 1099 N GLU B 113 -8.124 -11.735 4.280 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.777 -12.288 4.104 1.00 0.00 C ATOM 1101 C GLU B 113 -5.782 -11.235 3.594 1.00 0.00 C ATOM 1102 O GLU B 113 -4.728 -11.045 4.199 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.853 -13.515 3.183 1.00 0.00 C ATOM 1104 CG GLU B 113 -5.546 -14.308 3.067 1.00 0.00 C ATOM 1105 CD GLU B 113 -5.124 -15.056 4.354 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -5.920 -15.167 5.317 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -3.980 -15.566 4.402 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.783 -12.047 3.567 1.00 0.00 H new ATOM 0 HA GLU B 113 -6.394 -12.604 5.075 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -7.635 -14.180 3.550 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -7.154 -13.188 2.188 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -5.648 -15.033 2.259 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -4.746 -13.624 2.783 1.00 0.00 H new ATOM 1114 N LEU B 114 -6.115 -10.487 2.530 1.00 0.00 N ATOM 1115 CA LEU B 114 -5.251 -9.398 2.047 1.00 0.00 C ATOM 1116 C LEU B 114 -5.154 -8.223 3.047 1.00 0.00 C ATOM 1117 O LEU B 114 -4.093 -7.608 3.175 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.639 -8.968 0.621 1.00 0.00 C ATOM 1119 CG LEU B 114 -7.039 -8.350 0.452 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.976 -6.826 0.463 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.671 -8.777 -0.871 1.00 0.00 C ATOM 0 H LEU B 114 -6.971 -10.615 1.991 1.00 0.00 H new ATOM 0 HA LEU B 114 -4.236 -9.790 1.984 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.902 -8.247 0.269 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.569 -9.839 -0.030 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.639 -8.706 1.290 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.980 -6.419 0.342 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.559 -6.486 1.411 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.344 -6.482 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.659 -8.326 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -7.042 -8.447 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.764 -9.863 -0.896 1.00 0.00 H new ATOM 1133 N SER B 115 -6.221 -7.957 3.812 1.00 0.00 N ATOM 1134 CA SER B 115 -6.209 -7.024 4.949 1.00 0.00 C ATOM 1135 C SER B 115 -5.291 -7.496 6.094 1.00 0.00 C ATOM 1136 O SER B 115 -4.561 -6.693 6.676 1.00 0.00 O ATOM 1137 CB SER B 115 -7.642 -6.817 5.459 1.00 0.00 C ATOM 1138 OG SER B 115 -7.666 -5.926 6.562 1.00 0.00 O ATOM 0 H SER B 115 -7.131 -8.390 3.657 1.00 0.00 H new ATOM 0 HA SER B 115 -5.802 -6.077 4.594 1.00 0.00 H new ATOM 0 HB2 SER B 115 -8.264 -6.423 4.655 1.00 0.00 H new ATOM 0 HB3 SER B 115 -8.069 -7.776 5.752 1.00 0.00 H new ATOM 0 HG SER B 115 -8.590 -5.809 6.868 1.00 0.00 H new ATOM 1144 N ALA B 116 -5.247 -8.800 6.392 1.00 0.00 N ATOM 1145 CA ALA B 116 -4.280 -9.356 7.339 1.00 0.00 C ATOM 1146 C ALA B 116 -2.834 -9.287 6.813 1.00 0.00 C ATOM 1147 O ALA B 116 -1.938 -8.929 7.576 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.686 -10.792 7.697 1.00 0.00 C ATOM 0 H ALA B 116 -5.876 -9.493 5.986 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.296 -8.745 8.242 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.967 -11.208 8.402 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.678 -10.788 8.150 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.702 -11.401 6.793 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.598 -9.550 5.525 1.00 0.00 N ATOM 1155 CA LEU B 117 -1.264 -9.506 4.903 1.00 0.00 C ATOM 1156 C LEU B 117 -0.605 -8.118 4.998 1.00 0.00 C ATOM 1157 O LEU B 117 0.558 -8.041 5.394 1.00 0.00 O ATOM 1158 CB LEU B 117 -1.355 -9.988 3.441 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.914 -11.450 3.243 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.670 -12.477 4.085 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -1.087 -11.837 1.774 1.00 0.00 C ATOM 0 H LEU B 117 -3.338 -9.804 4.871 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.616 -10.181 5.463 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -2.383 -9.878 3.095 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.737 -9.343 2.816 1.00 0.00 H new ATOM 0 HG LEU B 117 0.125 -11.478 3.570 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.286 -13.475 3.873 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.533 -12.252 5.143 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.731 -12.437 3.840 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.775 -12.872 1.631 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -2.134 -11.731 1.491 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -0.475 -11.185 1.151 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.318 -7.020 4.701 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.727 -5.672 4.806 1.00 0.00 C ATOM 1175 C LEU B 118 -0.394 -5.300 6.263 1.00 0.00 C ATOM 1176 O LEU B 118 0.642 -4.679 6.522 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.608 -4.634 4.079 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.894 -4.187 4.799 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.702 -2.934 5.657 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.988 -3.881 3.785 1.00 0.00 C ATOM 0 H LEU B 118 -2.290 -7.035 4.391 1.00 0.00 H new ATOM 0 HA LEU B 118 0.234 -5.673 4.292 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -1.001 -3.749 3.887 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.887 -5.046 3.109 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.169 -5.016 5.451 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.646 -2.673 6.136 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -1.949 -3.128 6.421 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.375 -2.108 5.026 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.891 -3.566 4.308 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.656 -3.083 3.121 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -4.201 -4.775 3.199 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.216 -5.734 7.226 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.982 -5.549 8.665 1.00 0.00 C ATOM 1194 C ARG B 119 0.216 -6.383 9.147 1.00 0.00 C ATOM 1195 O ARG B 119 1.048 -5.877 9.897 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.282 -5.868 9.424 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.354 -4.790 9.188 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.684 -5.125 9.868 1.00 0.00 C ATOM 1199 NE ARG B 119 -4.583 -5.097 11.344 1.00 0.00 N ATOM 1200 CZ ARG B 119 -5.526 -4.789 12.211 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.739 -4.458 11.864 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -5.244 -4.820 13.477 1.00 0.00 N ATOM 0 H ARG B 119 -2.081 -6.235 7.023 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.716 -4.512 8.869 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.663 -6.837 9.103 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -2.072 -5.946 10.491 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -2.990 -3.833 9.561 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.517 -4.673 8.117 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -5.444 -4.414 9.545 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -5.015 -6.113 9.547 1.00 0.00 H new ATOM 0 HE ARG B 119 -3.675 -5.346 11.737 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -6.997 -4.428 10.878 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -7.429 -4.229 12.579 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -4.307 -5.079 13.784 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -5.960 -4.585 14.165 1.00 0.00 H new ATOM 1216 N GLN B 120 0.356 -7.614 8.655 1.00 0.00 N ATOM 1217 CA GLN B 120 1.497 -8.509 8.918 1.00 0.00 C ATOM 1218 C GLN B 120 2.812 -8.008 8.288 1.00 0.00 C ATOM 1219 O GLN B 120 3.871 -8.149 8.901 1.00 0.00 O ATOM 1220 CB GLN B 120 1.152 -9.929 8.440 1.00 0.00 C ATOM 1221 CG GLN B 120 0.160 -10.634 9.387 1.00 0.00 C ATOM 1222 CD GLN B 120 -0.518 -11.870 8.785 1.00 0.00 C ATOM 1223 OE1 GLN B 120 -1.630 -12.237 9.139 1.00 0.00 O ATOM 1224 NE2 GLN B 120 0.098 -12.569 7.851 1.00 0.00 N ATOM 0 H GLN B 120 -0.342 -8.035 8.041 1.00 0.00 H new ATOM 0 HA GLN B 120 1.672 -8.519 9.994 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.724 -9.880 7.439 1.00 0.00 H new ATOM 0 HB3 GLN B 120 2.066 -10.519 8.368 1.00 0.00 H new ATOM 0 HG2 GLN B 120 0.689 -10.929 10.293 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -0.609 -9.921 9.685 1.00 0.00 H new ATOM 0 HE21 GLN B 120 1.026 -12.289 7.534 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -0.354 -13.389 7.446 1.00 0.00 H new ATOM 1233 N GLU B 121 2.776 -7.348 7.124 1.00 0.00 N ATOM 1234 CA GLU B 121 3.940 -6.634 6.556 1.00 0.00 C ATOM 1235 C GLU B 121 4.400 -5.451 7.431 1.00 0.00 C ATOM 1236 O GLU B 121 5.585 -5.113 7.437 1.00 0.00 O ATOM 1237 CB GLU B 121 3.647 -6.143 5.123 1.00 0.00 C ATOM 1238 CG GLU B 121 3.689 -7.241 4.051 1.00 0.00 C ATOM 1239 CD GLU B 121 5.055 -7.935 3.909 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.093 -9.080 3.402 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.096 -7.337 4.286 1.00 0.00 O1- ATOM 0 H GLU B 121 1.939 -7.290 6.543 1.00 0.00 H new ATOM 0 HA GLU B 121 4.755 -7.358 6.529 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.663 -5.675 5.107 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.371 -5.371 4.862 1.00 0.00 H new ATOM 0 HG2 GLU B 121 2.936 -7.992 4.287 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.414 -6.805 3.090 1.00 0.00 H new ATOM 1248 N MET B 122 3.487 -4.867 8.209 1.00 0.00 N ATOM 1249 CA MET B 122 3.755 -3.865 9.250 1.00 0.00 C ATOM 1250 C MET B 122 3.911 -4.468 10.667 1.00 0.00 C ATOM 1251 O MET B 122 3.899 -3.744 11.664 1.00 0.00 O ATOM 1252 CB MET B 122 2.703 -2.743 9.154 1.00 0.00 C ATOM 1253 CG MET B 122 2.968 -1.887 7.904 1.00 0.00 C ATOM 1254 SD MET B 122 1.773 -0.566 7.577 1.00 0.00 S ATOM 1255 CE MET B 122 0.527 -1.497 6.645 1.00 0.00 C ATOM 0 H MET B 122 2.494 -5.088 8.129 1.00 0.00 H new ATOM 0 HA MET B 122 4.735 -3.425 9.064 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.703 -3.173 9.106 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.740 -2.120 10.047 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.957 -1.439 7.998 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.997 -2.546 7.036 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.143 -0.802 6.138 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.021 -2.128 5.907 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.048 -2.121 7.329 1.00 0.00 H new ATOM 1349 N SER B 133 -16.420 -1.195 5.335 1.00 0.00 N ATOM 1350 CA SER B 133 -17.164 0.075 5.219 1.00 0.00 C ATOM 1351 C SER B 133 -16.419 1.105 4.354 1.00 0.00 C ATOM 1352 O SER B 133 -15.201 1.024 4.177 1.00 0.00 O ATOM 1353 CB SER B 133 -17.457 0.660 6.607 1.00 0.00 C ATOM 1354 OG SER B 133 -18.262 -0.221 7.376 1.00 0.00 O ATOM 0 HA SER B 133 -18.107 -0.151 4.722 1.00 0.00 H new ATOM 0 HB2 SER B 133 -16.520 0.850 7.130 1.00 0.00 H new ATOM 0 HB3 SER B 133 -17.963 1.620 6.501 1.00 0.00 H new ATOM 0 HG SER B 133 -18.065 -1.148 7.125 1.00 0.00 H new ATOM 1360 N MET B 134 -17.130 2.122 3.846 1.00 0.00 N ATOM 1361 CA MET B 134 -16.558 3.192 3.002 1.00 0.00 C ATOM 1362 C MET B 134 -15.529 4.078 3.741 1.00 0.00 C ATOM 1363 O MET B 134 -14.687 4.727 3.117 1.00 0.00 O ATOM 1364 CB MET B 134 -17.711 4.019 2.395 1.00 0.00 C ATOM 1365 CG MET B 134 -17.277 4.796 1.148 1.00 0.00 C ATOM 1366 SD MET B 134 -16.833 3.738 -0.260 1.00 0.00 S ATOM 1367 CE MET B 134 -15.829 4.914 -1.196 1.00 0.00 C ATOM 0 H MET B 134 -18.131 2.230 4.009 1.00 0.00 H new ATOM 0 HA MET B 134 -15.986 2.722 2.202 1.00 0.00 H new ATOM 0 HB2 MET B 134 -18.535 3.354 2.137 1.00 0.00 H new ATOM 0 HB3 MET B 134 -18.087 4.717 3.143 1.00 0.00 H new ATOM 0 HG2 MET B 134 -18.085 5.463 0.848 1.00 0.00 H new ATOM 0 HG3 MET B 134 -16.423 5.424 1.402 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.464 4.437 -2.106 1.00 0.00 H new ATOM 0 HE2 MET B 134 -16.435 5.781 -1.459 1.00 0.00 H new ATOM 0 HE3 MET B 134 -14.982 5.233 -0.589 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.550 4.077 5.080 1.00 0.00 N ATOM 1378 CA GLN B 135 -14.502 4.661 5.931 1.00 0.00 C ATOM 1379 C GLN B 135 -13.260 3.753 6.054 1.00 0.00 C ATOM 1380 O GLN B 135 -12.132 4.255 6.092 1.00 0.00 O ATOM 1381 CB GLN B 135 -15.084 4.952 7.327 1.00 0.00 C ATOM 1382 CG GLN B 135 -16.212 6.001 7.299 1.00 0.00 C ATOM 1383 CD GLN B 135 -16.832 6.226 8.677 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -18.015 5.989 8.904 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -16.070 6.663 9.664 1.00 0.00 N ATOM 0 H GLN B 135 -16.312 3.661 5.615 1.00 0.00 H new ATOM 0 HA GLN B 135 -14.170 5.585 5.458 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.466 4.026 7.756 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -14.286 5.301 7.982 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -15.818 6.945 6.923 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -16.987 5.679 6.603 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -15.085 6.866 9.496 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -16.467 6.798 10.594 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.431 2.425 6.072 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.337 1.460 6.269 1.00 0.00 C ATOM 1396 C ASP B 136 -11.392 1.389 5.064 1.00 0.00 C ATOM 1397 O ASP B 136 -10.178 1.288 5.234 1.00 0.00 O ATOM 1398 CB ASP B 136 -12.883 0.041 6.526 1.00 0.00 C ATOM 1399 CG ASP B 136 -13.888 -0.131 7.665 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -14.610 -1.159 7.639 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -13.945 0.711 8.597 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.342 1.984 5.949 1.00 0.00 H new ATOM 0 HA ASP B 136 -11.783 1.818 7.137 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -13.352 -0.311 5.607 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.035 -0.615 6.723 1.00 0.00 H new ATOM 1406 N ILE B 137 -11.939 1.469 3.843 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.166 1.455 2.595 1.00 0.00 C ATOM 1408 C ILE B 137 -10.174 2.627 2.524 1.00 0.00 C ATOM 1409 O ILE B 137 -9.018 2.408 2.162 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.096 1.383 1.358 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.266 1.304 0.055 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.117 2.527 1.307 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.096 1.070 -1.218 1.00 0.00 C ATOM 0 H ILE B 137 -12.945 1.546 3.693 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.563 0.547 2.588 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.679 0.467 1.453 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.703 2.231 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.538 0.499 0.152 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.739 2.421 0.418 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.747 2.493 2.196 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.592 3.482 1.271 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.433 1.028 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.638 0.128 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.806 1.887 -1.345 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.570 3.838 2.943 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.653 4.982 3.015 1.00 0.00 C ATOM 1427 C GLN B 138 -8.501 4.707 3.988 1.00 0.00 C ATOM 1428 O GLN B 138 -7.345 4.938 3.641 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.389 6.262 3.440 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.306 6.835 2.347 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.865 8.202 2.750 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.022 8.351 3.120 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.070 9.254 2.735 1.00 0.00 N ATOM 0 H GLN B 138 -11.523 4.049 3.238 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.245 5.128 2.015 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -10.984 6.051 4.328 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.655 7.018 3.720 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.750 6.928 1.414 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.128 6.144 2.160 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.101 9.157 2.431 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.424 10.165 3.028 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.794 4.181 5.184 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.791 3.912 6.217 1.00 0.00 C ATOM 1444 C GLN B 139 -6.784 2.832 5.797 1.00 0.00 C ATOM 1445 O GLN B 139 -5.575 3.067 5.840 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.480 3.505 7.531 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.382 4.592 8.133 1.00 0.00 C ATOM 1448 CD GLN B 139 -8.637 5.734 8.831 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -7.414 5.815 8.884 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -9.366 6.678 9.395 1.00 0.00 N ATOM 0 H GLN B 139 -9.742 3.929 5.462 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.230 4.835 6.364 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.077 2.611 7.353 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.716 3.238 8.261 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -10.000 5.012 7.339 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -10.058 4.127 8.850 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -10.384 6.626 9.360 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.912 7.460 9.866 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.261 1.664 5.357 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.413 0.529 4.968 1.00 0.00 C ATOM 1461 C LEU B 140 -5.549 0.849 3.740 1.00 0.00 C ATOM 1462 O LEU B 140 -4.342 0.602 3.750 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.306 -0.702 4.702 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.980 -1.292 5.955 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -9.004 -2.351 5.549 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -6.973 -1.942 6.916 1.00 0.00 C ATOM 0 H LEU B 140 -8.259 1.476 5.259 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.726 0.316 5.787 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.080 -0.424 3.987 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -6.701 -1.478 4.232 1.00 0.00 H new ATOM 0 HG LEU B 140 -8.460 -0.460 6.470 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -9.475 -2.762 6.442 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -9.764 -1.897 4.914 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -8.504 -3.150 5.002 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.502 -2.341 7.782 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -6.452 -2.751 6.404 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -6.250 -1.196 7.245 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.149 1.454 2.705 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.458 1.775 1.458 1.00 0.00 C ATOM 1480 C LEU B 141 -4.435 2.918 1.635 1.00 0.00 C ATOM 1481 O LEU B 141 -3.360 2.878 1.032 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.534 2.035 0.382 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.045 2.018 -1.079 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.456 0.661 -1.465 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.223 2.276 -2.023 1.00 0.00 C ATOM 0 H LEU B 141 -7.130 1.733 2.714 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.842 0.938 1.129 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.317 1.285 0.491 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -6.991 3.004 0.580 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.280 2.790 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.123 0.691 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.608 0.435 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.216 -0.112 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.872 2.263 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.976 1.500 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.661 3.249 -1.801 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.702 3.884 2.524 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.727 4.895 2.946 1.00 0.00 C ATOM 1499 C ALA B 142 -2.575 4.309 3.785 1.00 0.00 C ATOM 1500 O ALA B 142 -1.436 4.763 3.651 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.446 6.005 3.721 1.00 0.00 C ATOM 0 H ALA B 142 -5.611 3.985 2.975 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.270 5.304 2.045 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.722 6.757 4.035 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.196 6.469 3.080 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.932 5.580 4.599 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.826 3.283 4.617 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.788 2.612 5.420 1.00 0.00 C ATOM 1509 C LYS B 143 -0.774 1.882 4.537 1.00 0.00 C ATOM 1510 O LYS B 143 0.431 2.051 4.734 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.451 1.675 6.447 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.539 1.487 7.662 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.111 0.471 8.656 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.179 0.365 9.871 1.00 0.00 C ATOM 1515 NZ LYS B 143 -1.712 -0.564 10.899 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.759 2.894 4.752 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.222 3.367 5.966 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.408 2.090 6.763 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -2.659 0.709 5.987 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -0.556 1.155 7.329 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.399 2.445 8.163 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.107 0.778 8.974 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.215 -0.503 8.178 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -0.197 0.022 9.546 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.042 1.353 10.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -1.053 -0.607 11.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -2.638 -0.223 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -1.819 -1.513 10.487 1.00 0.00 H new ATOM 1529 N SER B 144 -1.233 1.158 3.512 1.00 0.00 N ATOM 1530 CA SER B 144 -0.338 0.551 2.517 1.00 0.00 C ATOM 1531 C SER B 144 0.469 1.594 1.735 1.00 0.00 C ATOM 1532 O SER B 144 1.676 1.426 1.564 1.00 0.00 O ATOM 1533 CB SER B 144 -1.122 -0.322 1.533 1.00 0.00 C ATOM 1534 OG SER B 144 -1.760 -1.382 2.219 1.00 0.00 O ATOM 0 H SER B 144 -2.223 0.976 3.348 1.00 0.00 H new ATOM 0 HA SER B 144 0.364 -0.066 3.078 1.00 0.00 H new ATOM 0 HB2 SER B 144 -1.865 0.282 1.012 1.00 0.00 H new ATOM 0 HB3 SER B 144 -0.449 -0.723 0.775 1.00 0.00 H new ATOM 0 HG SER B 144 -2.259 -1.932 1.580 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.156 2.703 1.319 1.00 0.00 N ATOM 1541 CA LEU B 145 0.527 3.829 0.659 1.00 0.00 C ATOM 1542 C LEU B 145 1.613 4.454 1.554 1.00 0.00 C ATOM 1543 O LEU B 145 2.735 4.700 1.108 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.551 4.827 0.178 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.103 6.122 -0.531 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.325 7.219 0.443 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.992 5.901 -1.580 1.00 0.00 C ATOM 0 H LEU B 145 -1.159 2.848 1.431 1.00 0.00 H new ATOM 0 HA LEU B 145 1.080 3.480 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.216 4.293 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.145 5.115 1.046 1.00 0.00 H new ATOM 0 HG LEU B 145 -0.997 6.459 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.629 8.104 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.510 7.472 1.096 1.00 0.00 H new ATOM 0 HD13 LEU B 145 1.162 6.865 1.045 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.256 6.855 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.872 5.471 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.627 5.220 -2.349 1.00 0.00 H new ATOM 1559 N THR B 146 1.321 4.638 2.844 1.00 0.00 N ATOM 1560 CA THR B 146 2.301 5.120 3.834 1.00 0.00 C ATOM 1561 C THR B 146 3.498 4.167 3.964 1.00 0.00 C ATOM 1562 O THR B 146 4.644 4.619 4.009 1.00 0.00 O ATOM 1563 CB THR B 146 1.626 5.328 5.202 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.602 6.290 5.104 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.584 5.836 6.286 1.00 0.00 C ATOM 0 H THR B 146 0.397 4.458 3.237 1.00 0.00 H new ATOM 0 HA THR B 146 2.682 6.077 3.479 1.00 0.00 H new ATOM 0 HB THR B 146 1.250 4.344 5.483 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.163 5.906 4.626 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.041 5.960 7.223 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.390 5.115 6.426 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.004 6.794 5.981 1.00 0.00 H new ATOM 1573 N GLU B 147 3.267 2.851 3.956 1.00 0.00 N ATOM 1574 CA GLU B 147 4.340 1.853 4.019 1.00 0.00 C ATOM 1575 C GLU B 147 5.191 1.802 2.738 1.00 0.00 C ATOM 1576 O GLU B 147 6.410 1.660 2.832 1.00 0.00 O ATOM 1577 CB GLU B 147 3.739 0.484 4.383 1.00 0.00 C ATOM 1578 CG GLU B 147 4.745 -0.661 4.599 1.00 0.00 C ATOM 1579 CD GLU B 147 5.638 -0.534 5.854 1.00 0.00 C ATOM 1580 OE1 GLU B 147 5.653 0.530 6.521 1.00 0.00 O ATOM 1581 OE2 GLU B 147 6.329 -1.527 6.190 1.00 0.00 O1- ATOM 0 H GLU B 147 2.332 2.447 3.906 1.00 0.00 H new ATOM 0 HA GLU B 147 5.038 2.150 4.802 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.149 0.599 5.293 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.050 0.190 3.591 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.193 -1.599 4.660 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.388 -0.726 3.722 1.00 0.00 H new ATOM 1588 N ILE B 148 4.599 1.996 1.547 1.00 0.00 N ATOM 1589 CA ILE B 148 5.352 2.164 0.285 1.00 0.00 C ATOM 1590 C ILE B 148 6.318 3.350 0.402 1.00 0.00 C ATOM 1591 O ILE B 148 7.521 3.197 0.161 1.00 0.00 O ATOM 1592 CB ILE B 148 4.409 2.326 -0.937 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.608 1.032 -1.205 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.185 2.729 -2.209 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.391 1.242 -2.116 1.00 0.00 C ATOM 0 H ILE B 148 3.587 2.041 1.429 1.00 0.00 H new ATOM 0 HA ILE B 148 5.931 1.256 0.116 1.00 0.00 H new ATOM 0 HB ILE B 148 3.712 3.127 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.268 0.293 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.273 0.618 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.490 2.832 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.693 3.679 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.922 1.961 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.877 0.292 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.710 1.957 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.721 1.626 -3.081 1.00 0.00 H new ATOM 1607 N LYS B 149 5.821 4.523 0.819 1.00 0.00 N ATOM 1608 CA LYS B 149 6.635 5.738 1.013 1.00 0.00 C ATOM 1609 C LYS B 149 7.731 5.546 2.069 1.00 0.00 C ATOM 1610 O LYS B 149 8.860 5.983 1.850 1.00 0.00 O ATOM 1611 CB LYS B 149 5.727 6.928 1.364 1.00 0.00 C ATOM 1612 CG LYS B 149 4.907 7.402 0.156 1.00 0.00 C ATOM 1613 CD LYS B 149 4.007 8.585 0.548 1.00 0.00 C ATOM 1614 CE LYS B 149 3.141 9.081 -0.617 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.940 9.738 -1.683 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.833 4.659 1.034 1.00 0.00 H new ATOM 0 HA LYS B 149 7.147 5.947 0.074 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.052 6.643 2.171 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.337 7.752 1.734 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.576 7.698 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.296 6.582 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.361 8.287 1.374 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.628 9.405 0.909 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.595 8.239 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.398 9.784 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 3.357 10.453 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.772 10.197 -1.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.251 9.025 -2.373 1.00 0.00 H new ATOM 1629 N ARG B 150 7.436 4.856 3.180 1.00 0.00 N ATOM 1630 CA ARG B 150 8.407 4.528 4.247 1.00 0.00 C ATOM 1631 C ARG B 150 9.577 3.678 3.730 1.00 0.00 C ATOM 1632 O ARG B 150 10.735 4.015 3.988 1.00 0.00 O ATOM 1633 CB ARG B 150 7.669 3.849 5.415 1.00 0.00 C ATOM 1634 CG ARG B 150 8.584 3.597 6.626 1.00 0.00 C ATOM 1635 CD ARG B 150 7.828 2.963 7.799 1.00 0.00 C ATOM 1636 NE ARG B 150 6.843 3.893 8.393 1.00 0.00 N ATOM 1637 CZ ARG B 150 5.533 3.735 8.506 1.00 0.00 C ATOM 1638 NH1 ARG B 150 4.886 2.705 8.034 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 4.826 4.647 9.115 1.00 0.00 N ATOM 0 H ARG B 150 6.499 4.501 3.371 1.00 0.00 H new ATOM 0 HA ARG B 150 8.855 5.455 4.606 1.00 0.00 H new ATOM 0 HB2 ARG B 150 6.830 4.473 5.722 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.253 2.901 5.075 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.405 2.944 6.330 1.00 0.00 H new ATOM 0 HG3 ARG B 150 9.026 4.540 6.948 1.00 0.00 H new ATOM 0 HD2 ARG B 150 7.316 2.064 7.456 1.00 0.00 H new ATOM 0 HD3 ARG B 150 8.540 2.653 8.564 1.00 0.00 H new ATOM 0 HE ARG B 150 7.220 4.766 8.762 1.00 0.00 H new ATOM 0 HH11 ARG B 150 5.391 1.965 7.546 1.00 0.00 H new ATOM 0 HH12 ARG B 150 3.875 2.640 8.153 1.00 0.00 H new ATOM 0 HH21 ARG B 150 5.283 5.474 9.500 1.00 0.00 H new ATOM 0 HH22 ARG B 150 3.817 4.533 9.206 1.00 0.00 H new ATOM 1653 N LEU B 151 9.296 2.614 2.974 1.00 0.00 N ATOM 1654 CA LEU B 151 10.335 1.747 2.397 1.00 0.00 C ATOM 1655 C LEU B 151 11.143 2.456 1.298 1.00 0.00 C ATOM 1656 O LEU B 151 12.373 2.333 1.273 1.00 0.00 O ATOM 1657 CB LEU B 151 9.694 0.443 1.862 1.00 0.00 C ATOM 1658 CG LEU B 151 9.634 -0.735 2.860 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.036 -1.297 3.136 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.000 -0.375 4.207 1.00 0.00 C ATOM 0 H LEU B 151 8.345 2.327 2.743 1.00 0.00 H new ATOM 0 HA LEU B 151 11.041 1.500 3.190 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.680 0.668 1.533 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.251 0.121 0.982 1.00 0.00 H new ATOM 0 HG LEU B 151 9.001 -1.478 2.374 1.00 0.00 H new ATOM 0 HD11 LEU B 151 10.964 -2.125 3.842 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.476 -1.652 2.204 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.665 -0.514 3.559 1.00 0.00 H new ATOM 0 HD21 LEU B 151 8.994 -1.253 4.853 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.577 0.419 4.680 1.00 0.00 H new ATOM 0 HD23 LEU B 151 7.977 -0.035 4.048 1.00 0.00 H new ATOM 1672 N LYS B 152 10.498 3.261 0.437 1.00 0.00 N ATOM 1673 CA LYS B 152 11.194 4.100 -0.554 1.00 0.00 C ATOM 1674 C LYS B 152 12.126 5.119 0.110 1.00 0.00 C ATOM 1675 O LYS B 152 13.266 5.271 -0.326 1.00 0.00 O ATOM 1676 CB LYS B 152 10.178 4.804 -1.464 1.00 0.00 C ATOM 1677 CG LYS B 152 9.598 3.846 -2.513 1.00 0.00 C ATOM 1678 CD LYS B 152 8.757 4.611 -3.535 1.00 0.00 C ATOM 1679 CE LYS B 152 8.195 3.671 -4.605 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.678 4.458 -5.747 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.482 3.349 0.408 1.00 0.00 H new ATOM 0 HA LYS B 152 11.817 3.444 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.370 5.214 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.659 5.644 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.407 3.321 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.985 3.090 -2.023 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.937 5.120 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.366 5.381 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS B 152 8.973 2.988 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS B 152 7.397 3.060 -4.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 6.938 3.915 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.278 5.353 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.454 4.660 -6.409 1.00 0.00 H new ATOM 1694 N ALA B 153 11.688 5.788 1.181 1.00 0.00 N ATOM 1695 CA ALA B 153 12.496 6.760 1.918 1.00 0.00 C ATOM 1696 C ALA B 153 13.736 6.120 2.567 1.00 0.00 C ATOM 1697 O ALA B 153 14.834 6.671 2.461 1.00 0.00 O ATOM 1698 CB ALA B 153 11.605 7.463 2.947 1.00 0.00 C ATOM 0 H ALA B 153 10.750 5.667 1.564 1.00 0.00 H new ATOM 0 HA ALA B 153 12.886 7.498 1.217 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.196 8.191 3.503 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.790 7.974 2.434 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.194 6.726 3.637 1.00 0.00 H new ATOM 1704 N ALA B 154 13.594 4.938 3.179 1.00 0.00 N ATOM 1705 CA ALA B 154 14.716 4.203 3.769 1.00 0.00 C ATOM 1706 C ALA B 154 15.751 3.756 2.711 1.00 0.00 C ATOM 1707 O ALA B 154 16.956 3.957 2.884 1.00 0.00 O ATOM 1708 CB ALA B 154 14.144 3.011 4.549 1.00 0.00 C ATOM 0 H ALA B 154 12.696 4.465 3.278 1.00 0.00 H new ATOM 0 HA ALA B 154 15.263 4.861 4.444 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.960 2.446 4.999 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.479 3.374 5.332 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.587 2.366 3.870 1.00 0.00 H new ATOM 1714 N ASN B 155 15.272 3.209 1.589 1.00 0.00 N ATOM 1715 CA ASN B 155 16.094 2.782 0.452 1.00 0.00 C ATOM 1716 C ASN B 155 16.849 3.980 -0.169 1.00 0.00 C ATOM 1717 O ASN B 155 18.063 3.925 -0.371 1.00 0.00 O ATOM 1718 CB ASN B 155 15.153 2.059 -0.534 1.00 0.00 C ATOM 1719 CG ASN B 155 15.842 1.329 -1.678 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.950 1.637 -2.091 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.198 0.333 -2.242 1.00 0.00 N ATOM 0 H ASN B 155 14.276 3.047 1.443 1.00 0.00 H new ATOM 0 HA ASN B 155 16.881 2.093 0.758 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.553 1.340 0.024 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.464 2.791 -0.955 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.623 -0.175 -3.017 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.273 0.068 -1.905 1.00 0.00 H new ATOM 1728 N GLN B 156 16.166 5.107 -0.394 1.00 0.00 N ATOM 1729 CA GLN B 156 16.774 6.328 -0.941 1.00 0.00 C ATOM 1730 C GLN B 156 17.832 6.935 -0.001 1.00 0.00 C ATOM 1731 O GLN B 156 18.903 7.348 -0.456 1.00 0.00 O ATOM 1732 CB GLN B 156 15.661 7.326 -1.293 1.00 0.00 C ATOM 1733 CG GLN B 156 16.207 8.605 -1.955 1.00 0.00 C ATOM 1734 CD GLN B 156 15.120 9.516 -2.537 1.00 0.00 C ATOM 1735 OE1 GLN B 156 13.919 9.362 -2.321 1.00 0.00 O ATOM 1736 NE2 GLN B 156 15.494 10.522 -3.305 1.00 0.00 N ATOM 0 H GLN B 156 15.169 5.200 -0.201 1.00 0.00 H new ATOM 0 HA GLN B 156 17.318 6.071 -1.850 1.00 0.00 H new ATOM 0 HB2 GLN B 156 14.948 6.849 -1.965 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.116 7.593 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.782 9.166 -1.219 1.00 0.00 H new ATOM 0 HG3 GLN B 156 16.897 8.324 -2.751 1.00 0.00 H new ATOM 0 HE21 GLN B 156 16.483 10.674 -3.501 1.00 0.00 H new ATOM 0 HE22 GLN B 156 14.794 11.148 -3.703 1.00 0.00 H new