USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 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 Set 1.1: A 44 SER OG : rot 141:sc= 0.902 USER MOD Set 1.2: B 144 SER OG : rot -74:sc= 0.858 USER MOD Single : A 15 SER OG : rot 180:sc= 0.384 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -169:sc= -0.076 (180deg=-0.129) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0.483 K(o=0.48,f=-3.8!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.86 K(o=0.86,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 70:sc= 0.684 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 1.32 (180deg=1.14) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 2.42 (180deg=1.66) USER MOD Single : A 55 ASN : amide:sc=-0.00115 K(o=-0.0011,f=-1.1) USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 120 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : B 122 MET CE :methyl -166:sc= -0.434 (180deg=-0.664) USER MOD Single : B 133 SER OG : rot 35:sc= 0.0595 USER MOD Single : B 134 MET CE :methyl 175:sc= -0.0811 (180deg=-0.0983) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 138 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.25) USER MOD Single : B 139 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 73:sc= 0.519 USER MOD Single : B 149 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.02) USER MOD Single : B 152 LYS NZ :NH3+ -156:sc= 2.17 (180deg=1.72) USER MOD Single : B 155 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1.4) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -10.110 12.419 -0.095 1.00 0.00 N ATOM 115 CA PRO A 10 -10.984 11.374 -0.623 1.00 0.00 C ATOM 116 C PRO A 10 -10.196 10.202 -1.222 1.00 0.00 C ATOM 117 O PRO A 10 -9.012 10.311 -1.547 1.00 0.00 O ATOM 118 CB PRO A 10 -11.849 12.067 -1.684 1.00 0.00 C ATOM 119 CG PRO A 10 -10.922 13.156 -2.212 1.00 0.00 C ATOM 120 CD PRO A 10 -10.152 13.591 -0.965 1.00 0.00 C ATOM 0 HA PRO A 10 -11.587 10.931 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.154 11.378 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.760 12.484 -1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.255 12.777 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.480 13.983 -2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.146 13.923 -1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.647 14.427 -0.471 1.00 0.00 H new ATOM 128 N ILE A 11 -10.889 9.077 -1.425 1.00 0.00 N ATOM 129 CA ILE A 11 -10.333 7.833 -1.976 1.00 0.00 C ATOM 130 C ILE A 11 -9.604 8.019 -3.316 1.00 0.00 C ATOM 131 O ILE A 11 -8.586 7.375 -3.560 1.00 0.00 O ATOM 132 CB ILE A 11 -11.444 6.770 -2.063 1.00 0.00 C ATOM 133 CG1 ILE A 11 -10.839 5.414 -2.472 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.589 7.171 -3.016 1.00 0.00 C ATOM 135 CD1 ILE A 11 -11.669 4.238 -1.974 1.00 0.00 C ATOM 0 H ILE A 11 -11.882 9.003 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.558 7.490 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.890 6.686 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.760 5.366 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.827 5.336 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.340 6.382 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.045 8.098 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.192 7.317 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.202 3.304 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.726 4.268 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.674 4.299 -2.392 1.00 0.00 H new ATOM 147 N ASP A 12 -10.092 8.914 -4.179 1.00 0.00 N ATOM 148 CA ASP A 12 -9.515 9.157 -5.503 1.00 0.00 C ATOM 149 C ASP A 12 -8.095 9.753 -5.422 1.00 0.00 C ATOM 150 O ASP A 12 -7.240 9.439 -6.252 1.00 0.00 O ATOM 151 CB ASP A 12 -10.457 10.090 -6.272 1.00 0.00 C ATOM 152 CG ASP A 12 -10.116 10.194 -7.769 1.00 0.00 C ATOM 153 OD1 ASP A 12 -9.814 9.157 -8.405 1.00 0.00 O ATOM 154 OD2 ASP A 12 -10.223 11.310 -8.333 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.905 9.495 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.414 8.205 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.481 9.733 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.417 11.084 -5.827 1.00 0.00 H new ATOM 159 N GLU A 13 -7.804 10.565 -4.399 1.00 0.00 N ATOM 160 CA GLU A 13 -6.480 11.168 -4.180 1.00 0.00 C ATOM 161 C GLU A 13 -5.461 10.147 -3.648 1.00 0.00 C ATOM 162 O GLU A 13 -4.372 10.041 -4.211 1.00 0.00 O ATOM 163 CB GLU A 13 -6.589 12.374 -3.223 1.00 0.00 C ATOM 164 CG GLU A 13 -7.337 13.574 -3.838 1.00 0.00 C ATOM 165 CD GLU A 13 -6.672 14.172 -5.097 1.00 0.00 C ATOM 166 OE1 GLU A 13 -7.400 14.709 -5.970 1.00 0.00 O ATOM 167 OE2 GLU A 13 -5.423 14.143 -5.225 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.489 10.826 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.116 11.514 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.102 12.062 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.587 12.690 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.350 13.262 -4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.424 14.356 -3.084 1.00 0.00 H new ATOM 174 N LEU A 14 -5.800 9.340 -2.633 1.00 0.00 N ATOM 175 CA LEU A 14 -4.902 8.284 -2.143 1.00 0.00 C ATOM 176 C LEU A 14 -4.709 7.154 -3.179 1.00 0.00 C ATOM 177 O LEU A 14 -3.614 6.592 -3.272 1.00 0.00 O ATOM 178 CB LEU A 14 -5.317 7.783 -0.744 1.00 0.00 C ATOM 179 CG LEU A 14 -6.772 7.303 -0.556 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.938 5.825 -0.901 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.190 7.443 0.906 1.00 0.00 C ATOM 0 H LEU A 14 -6.689 9.398 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.914 8.726 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.655 6.961 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.135 8.588 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.381 7.918 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.977 5.532 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.658 5.661 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.297 5.226 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.218 7.101 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.532 6.840 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.118 8.488 1.206 1.00 0.00 H new ATOM 193 N SER A 15 -5.724 6.879 -4.009 1.00 0.00 N ATOM 194 CA SER A 15 -5.601 5.988 -5.167 1.00 0.00 C ATOM 195 C SER A 15 -4.653 6.569 -6.233 1.00 0.00 C ATOM 196 O SER A 15 -3.727 5.894 -6.681 1.00 0.00 O ATOM 197 CB SER A 15 -6.980 5.676 -5.752 1.00 0.00 C ATOM 198 OG SER A 15 -6.877 4.768 -6.833 1.00 0.00 O ATOM 0 H SER A 15 -6.658 7.272 -3.894 1.00 0.00 H new ATOM 0 HA SER A 15 -5.158 5.052 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.621 5.254 -4.978 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.453 6.598 -6.090 1.00 0.00 H new ATOM 0 HG SER A 15 -7.770 4.582 -7.190 1.00 0.00 H new ATOM 204 N ALA A 16 -4.793 7.849 -6.592 1.00 0.00 N ATOM 205 CA ALA A 16 -3.863 8.517 -7.507 1.00 0.00 C ATOM 206 C ALA A 16 -2.410 8.509 -6.980 1.00 0.00 C ATOM 207 O ALA A 16 -1.481 8.307 -7.765 1.00 0.00 O ATOM 208 CB ALA A 16 -4.364 9.942 -7.770 1.00 0.00 C ATOM 0 H ALA A 16 -5.549 8.448 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.838 7.963 -8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.679 10.449 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.357 9.902 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.413 10.490 -6.829 1.00 0.00 H new ATOM 214 N LEU A 17 -2.208 8.647 -5.665 1.00 0.00 N ATOM 215 CA LEU A 17 -0.895 8.536 -5.015 1.00 0.00 C ATOM 216 C LEU A 17 -0.297 7.126 -5.127 1.00 0.00 C ATOM 217 O LEU A 17 0.827 7.008 -5.613 1.00 0.00 O ATOM 218 CB LEU A 17 -0.988 9.016 -3.548 1.00 0.00 C ATOM 219 CG LEU A 17 -0.489 10.457 -3.329 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.181 11.504 -4.208 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.707 10.861 -1.866 1.00 0.00 C ATOM 0 H LEU A 17 -2.965 8.842 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.203 9.189 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.025 8.947 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.408 8.342 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 17 0.566 10.444 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.771 12.490 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.014 11.265 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.251 11.503 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.353 11.881 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.769 10.806 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.154 10.184 -1.215 1.00 0.00 H new ATOM 233 N LEU A 18 -1.008 6.053 -4.752 1.00 0.00 N ATOM 234 CA LEU A 18 -0.451 4.694 -4.858 1.00 0.00 C ATOM 235 C LEU A 18 -0.212 4.260 -6.311 1.00 0.00 C ATOM 236 O LEU A 18 0.763 3.561 -6.592 1.00 0.00 O ATOM 237 CB LEU A 18 -1.280 3.689 -4.029 1.00 0.00 C ATOM 238 CG LEU A 18 -2.646 3.290 -4.609 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.578 2.068 -5.529 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.611 2.943 -3.481 1.00 0.00 C ATOM 0 H LEU A 18 -1.956 6.096 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 18 0.545 4.708 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.687 2.784 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.440 4.113 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.983 4.150 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.575 1.839 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.914 2.280 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.196 1.213 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.576 2.662 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.210 2.110 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.737 3.809 -2.831 1.00 0.00 H new ATOM 252 N ARG A 19 -1.046 4.732 -7.250 1.00 0.00 N ATOM 253 CA ARG A 19 -0.847 4.548 -8.700 1.00 0.00 C ATOM 254 C ARG A 19 0.431 5.254 -9.167 1.00 0.00 C ATOM 255 O ARG A 19 1.281 4.618 -9.789 1.00 0.00 O ATOM 256 CB ARG A 19 -2.100 5.034 -9.450 1.00 0.00 C ATOM 257 CG ARG A 19 -3.287 4.081 -9.242 1.00 0.00 C ATOM 258 CD ARG A 19 -4.585 4.741 -9.718 1.00 0.00 C ATOM 259 NE ARG A 19 -5.750 3.870 -9.489 1.00 0.00 N ATOM 260 CZ ARG A 19 -6.126 2.836 -10.214 1.00 0.00 C ATOM 261 NH1 ARG A 19 -5.453 2.428 -11.256 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -7.223 2.204 -9.923 1.00 0.00 N ATOM 0 H ARG A 19 -1.889 5.259 -7.023 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.712 3.490 -8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.368 6.032 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.879 5.115 -10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.119 3.154 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.370 3.817 -8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.727 5.686 -9.193 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.507 4.974 -10.780 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.330 4.092 -8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.601 2.915 -11.536 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.779 1.623 -11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.793 2.508 -9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.515 1.404 -10.484 1.00 0.00 H new ATOM 276 N GLN A 20 0.626 6.515 -8.776 1.00 0.00 N ATOM 277 CA GLN A 20 1.820 7.300 -9.071 1.00 0.00 C ATOM 278 C GLN A 20 3.099 6.693 -8.465 1.00 0.00 C ATOM 279 O GLN A 20 4.139 6.678 -9.127 1.00 0.00 O ATOM 280 CB GLN A 20 1.564 8.738 -8.584 1.00 0.00 C ATOM 281 CG GLN A 20 2.776 9.653 -8.778 1.00 0.00 C ATOM 282 CD GLN A 20 2.422 11.144 -8.715 1.00 0.00 C ATOM 283 OE1 GLN A 20 2.829 11.944 -9.549 1.00 0.00 O ATOM 284 NE2 GLN A 20 1.645 11.588 -7.746 1.00 0.00 N ATOM 0 H GLN A 20 -0.064 7.030 -8.230 1.00 0.00 H new ATOM 0 HA GLN A 20 2.002 7.298 -10.146 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.711 9.153 -9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.295 8.717 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.518 9.430 -8.012 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.237 9.436 -9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.293 10.943 -7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.397 12.576 -7.704 1.00 0.00 H new ATOM 293 N GLU A 21 3.034 6.121 -7.258 1.00 0.00 N ATOM 294 CA GLU A 21 4.157 5.395 -6.643 1.00 0.00 C ATOM 295 C GLU A 21 4.546 4.126 -7.427 1.00 0.00 C ATOM 296 O GLU A 21 5.729 3.777 -7.471 1.00 0.00 O ATOM 297 CB GLU A 21 3.846 5.018 -5.178 1.00 0.00 C ATOM 298 CG GLU A 21 3.818 6.198 -4.188 1.00 0.00 C ATOM 299 CD GLU A 21 5.145 6.969 -4.054 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.129 8.071 -3.459 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.202 6.483 -4.516 1.00 0.00 O1- ATOM 0 H GLU A 21 2.198 6.147 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 21 5.005 6.079 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.879 4.515 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.591 4.298 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.040 6.895 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.534 5.821 -3.205 1.00 0.00 H new ATOM 308 N MET A 22 3.589 3.470 -8.092 1.00 0.00 N ATOM 309 CA MET A 22 3.814 2.357 -9.028 1.00 0.00 C ATOM 310 C MET A 22 4.088 2.803 -10.485 1.00 0.00 C ATOM 311 O MET A 22 4.224 1.961 -11.378 1.00 0.00 O ATOM 312 CB MET A 22 2.640 1.372 -8.934 1.00 0.00 C ATOM 313 CG MET A 22 2.695 0.605 -7.606 1.00 0.00 C ATOM 314 SD MET A 22 1.422 -0.669 -7.421 1.00 0.00 S ATOM 315 CE MET A 22 0.025 0.355 -6.900 1.00 0.00 C ATOM 0 H MET A 22 2.602 3.705 -7.992 1.00 0.00 H new ATOM 0 HA MET A 22 4.734 1.857 -8.725 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.696 1.912 -9.011 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.676 0.672 -9.768 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.675 0.138 -7.511 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.601 1.317 -6.786 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.787 -0.285 -6.554 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.338 1.013 -6.089 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.320 0.955 -7.742 1.00 0.00 H new ATOM 325 N GLY A 23 4.181 4.115 -10.746 1.00 0.00 N ATOM 326 CA GLY A 23 4.443 4.698 -12.072 1.00 0.00 C ATOM 327 C GLY A 23 3.241 4.727 -13.033 1.00 0.00 C ATOM 328 O GLY A 23 3.398 5.105 -14.198 1.00 0.00 O ATOM 0 H GLY A 23 4.073 4.822 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.802 5.718 -11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.249 4.136 -12.544 1.00 0.00 H new ATOM 420 N MET A 34 -16.717 -4.954 -3.783 1.00 0.00 N ATOM 421 CA MET A 34 -15.779 -5.892 -3.135 1.00 0.00 C ATOM 422 C MET A 34 -14.635 -6.374 -4.045 1.00 0.00 C ATOM 423 O MET A 34 -13.496 -6.514 -3.593 1.00 0.00 O ATOM 424 CB MET A 34 -16.534 -7.084 -2.526 1.00 0.00 C ATOM 425 CG MET A 34 -16.898 -6.782 -1.064 1.00 0.00 C ATOM 426 SD MET A 34 -15.461 -6.828 0.054 1.00 0.00 S ATOM 427 CE MET A 34 -16.056 -5.761 1.394 1.00 0.00 C ATOM 0 HA MET A 34 -15.298 -5.323 -2.340 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.438 -7.285 -3.101 1.00 0.00 H new ATOM 0 HB3 MET A 34 -15.917 -7.981 -2.578 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.363 -5.798 -1.008 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.639 -7.505 -0.723 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.290 -5.684 2.165 1.00 0.00 H new ATOM 0 HE2 MET A 34 -16.275 -4.769 0.999 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.962 -6.188 1.824 1.00 0.00 H new ATOM 437 N GLN A 35 -14.897 -6.553 -5.335 1.00 0.00 N ATOM 438 CA GLN A 35 -13.883 -6.926 -6.326 1.00 0.00 C ATOM 439 C GLN A 35 -12.898 -5.790 -6.644 1.00 0.00 C ATOM 440 O GLN A 35 -11.731 -6.047 -6.947 1.00 0.00 O ATOM 441 CB GLN A 35 -14.576 -7.396 -7.618 1.00 0.00 C ATOM 442 CG GLN A 35 -15.562 -8.556 -7.388 1.00 0.00 C ATOM 443 CD GLN A 35 -17.004 -8.133 -7.068 1.00 0.00 C ATOM 444 OE1 GLN A 35 -17.324 -6.981 -6.778 1.00 0.00 O ATOM 445 NE2 GLN A 35 -17.942 -9.057 -7.092 1.00 0.00 N ATOM 0 H GLN A 35 -15.830 -6.443 -5.731 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.295 -7.734 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.110 -6.556 -8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.818 -7.708 -8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.573 -9.184 -8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.190 -9.171 -6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.703 -10.020 -7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.907 -8.810 -6.873 1.00 0.00 H new ATOM 454 N ASP A 36 -13.341 -4.533 -6.562 1.00 0.00 N ATOM 455 CA ASP A 36 -12.498 -3.347 -6.778 1.00 0.00 C ATOM 456 C ASP A 36 -11.519 -3.161 -5.609 1.00 0.00 C ATOM 457 O ASP A 36 -10.324 -2.954 -5.832 1.00 0.00 O ATOM 458 CB ASP A 36 -13.357 -2.084 -6.959 1.00 0.00 C ATOM 459 CG ASP A 36 -14.488 -2.212 -7.990 1.00 0.00 C ATOM 460 OD1 ASP A 36 -15.554 -1.592 -7.765 1.00 0.00 O ATOM 461 OD2 ASP A 36 -14.313 -2.900 -9.027 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.310 -4.304 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.926 -3.504 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.792 -1.817 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.707 -1.260 -7.255 1.00 0.00 H new ATOM 466 N ILE A 37 -12.008 -3.287 -4.368 1.00 0.00 N ATOM 467 CA ILE A 37 -11.186 -3.149 -3.154 1.00 0.00 C ATOM 468 C ILE A 37 -10.204 -4.315 -2.998 1.00 0.00 C ATOM 469 O ILE A 37 -9.040 -4.073 -2.693 1.00 0.00 O ATOM 470 CB ILE A 37 -12.046 -2.903 -1.883 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.162 -2.748 -0.624 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.110 -3.987 -1.678 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.944 -2.373 0.645 1.00 0.00 C ATOM 0 H ILE A 37 -12.989 -3.488 -4.175 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.579 -2.252 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.575 -1.963 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.631 -3.683 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.408 -1.984 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.683 -3.768 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.779 -4.007 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.625 -4.958 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.254 -2.283 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.454 -1.422 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.679 -3.148 0.861 1.00 0.00 H new ATOM 485 N GLN A 38 -10.614 -5.563 -3.271 1.00 0.00 N ATOM 486 CA GLN A 38 -9.709 -6.720 -3.229 1.00 0.00 C ATOM 487 C GLN A 38 -8.525 -6.568 -4.195 1.00 0.00 C ATOM 488 O GLN A 38 -7.394 -6.869 -3.813 1.00 0.00 O ATOM 489 CB GLN A 38 -10.467 -8.025 -3.529 1.00 0.00 C ATOM 490 CG GLN A 38 -11.222 -8.562 -2.307 1.00 0.00 C ATOM 491 CD GLN A 38 -11.987 -9.843 -2.632 1.00 0.00 C ATOM 492 OE1 GLN A 38 -13.194 -9.858 -2.848 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.323 -10.981 -2.703 1.00 0.00 N ATOM 0 H GLN A 38 -11.574 -5.797 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.308 -6.765 -2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.173 -7.852 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.761 -8.780 -3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.516 -8.755 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.918 -7.804 -1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.318 -10.997 -2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.814 -11.845 -2.933 1.00 0.00 H new ATOM 502 N GLN A 39 -8.750 -6.070 -5.414 1.00 0.00 N ATOM 503 CA GLN A 39 -7.678 -5.815 -6.384 1.00 0.00 C ATOM 504 C GLN A 39 -6.808 -4.613 -5.971 1.00 0.00 C ATOM 505 O GLN A 39 -5.584 -4.736 -5.891 1.00 0.00 O ATOM 506 CB GLN A 39 -8.274 -5.609 -7.785 1.00 0.00 C ATOM 507 CG GLN A 39 -8.803 -6.922 -8.376 1.00 0.00 C ATOM 508 CD GLN A 39 -9.534 -6.700 -9.702 1.00 0.00 C ATOM 509 OE1 GLN A 39 -9.008 -6.915 -10.791 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.772 -6.251 -9.660 1.00 0.00 N ATOM 0 H GLN A 39 -9.680 -5.832 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.026 -6.688 -6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.084 -4.881 -7.732 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.514 -5.193 -8.446 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.972 -7.611 -8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.480 -7.394 -7.663 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.218 -6.069 -8.761 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.284 -6.085 -10.526 1.00 0.00 H new ATOM 519 N LEU A 40 -7.417 -3.458 -5.672 1.00 0.00 N ATOM 520 CA LEU A 40 -6.693 -2.202 -5.420 1.00 0.00 C ATOM 521 C LEU A 40 -5.861 -2.252 -4.123 1.00 0.00 C ATOM 522 O LEU A 40 -4.716 -1.796 -4.117 1.00 0.00 O ATOM 523 CB LEU A 40 -7.714 -1.053 -5.441 1.00 0.00 C ATOM 524 CG LEU A 40 -7.138 0.372 -5.362 1.00 0.00 C ATOM 525 CD1 LEU A 40 -6.218 0.688 -6.542 1.00 0.00 C ATOM 526 CD2 LEU A 40 -8.283 1.384 -5.375 1.00 0.00 C ATOM 0 H LEU A 40 -8.430 -3.367 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.955 -2.036 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.302 -1.134 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.402 -1.191 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.559 0.435 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.835 1.704 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.384 -0.014 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.777 0.600 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.877 2.394 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.856 1.274 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.935 1.207 -4.519 1.00 0.00 H new ATOM 538 N LEU A 41 -6.391 -2.858 -3.055 1.00 0.00 N ATOM 539 CA LEU A 41 -5.704 -3.029 -1.771 1.00 0.00 C ATOM 540 C LEU A 41 -4.607 -4.121 -1.819 1.00 0.00 C ATOM 541 O LEU A 41 -3.623 -4.042 -1.083 1.00 0.00 O ATOM 542 CB LEU A 41 -6.768 -3.286 -0.681 1.00 0.00 C ATOM 543 CG LEU A 41 -6.268 -3.227 0.772 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.671 -1.867 1.128 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.434 -3.487 1.729 1.00 0.00 C ATOM 0 H LEU A 41 -7.332 -3.252 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.161 -2.116 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.567 -2.554 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.208 -4.268 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.493 -3.987 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.333 -1.878 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.825 -1.658 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.428 -1.093 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.077 -3.445 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.203 -2.729 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.854 -4.473 1.531 1.00 0.00 H new ATOM 557 N ALA A 42 -4.736 -5.117 -2.703 1.00 0.00 N ATOM 558 CA ALA A 42 -3.654 -6.062 -2.999 1.00 0.00 C ATOM 559 C ALA A 42 -2.538 -5.421 -3.854 1.00 0.00 C ATOM 560 O ALA A 42 -1.364 -5.768 -3.696 1.00 0.00 O ATOM 561 CB ALA A 42 -4.247 -7.291 -3.698 1.00 0.00 C ATOM 0 H ALA A 42 -5.591 -5.290 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.187 -6.361 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.451 -8.001 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.980 -7.763 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.732 -6.984 -4.625 1.00 0.00 H new ATOM 567 N LYS A 43 -2.864 -4.467 -4.739 1.00 0.00 N ATOM 568 CA LYS A 43 -1.899 -3.787 -5.611 1.00 0.00 C ATOM 569 C LYS A 43 -0.875 -2.961 -4.827 1.00 0.00 C ATOM 570 O LYS A 43 0.323 -3.119 -5.054 1.00 0.00 O ATOM 571 CB LYS A 43 -2.662 -2.930 -6.642 1.00 0.00 C ATOM 572 CG LYS A 43 -1.841 -2.719 -7.917 1.00 0.00 C ATOM 573 CD LYS A 43 -2.522 -1.734 -8.879 1.00 0.00 C ATOM 574 CE LYS A 43 -1.670 -1.434 -10.114 1.00 0.00 C ATOM 575 NZ LYS A 43 -1.568 -2.603 -11.029 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.822 -4.142 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.318 -4.545 -6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.606 -3.415 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.907 -1.963 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.852 -2.345 -7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.697 -3.676 -8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.481 -2.145 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.732 -0.803 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.101 -0.590 -10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.671 -1.134 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.982 -2.351 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.133 -3.402 -10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.518 -2.875 -11.353 1.00 0.00 H new ATOM 589 N SER A 44 -1.327 -2.158 -3.862 1.00 0.00 N ATOM 590 CA SER A 44 -0.446 -1.428 -2.936 1.00 0.00 C ATOM 591 C SER A 44 0.372 -2.371 -2.036 1.00 0.00 C ATOM 592 O SER A 44 1.571 -2.142 -1.860 1.00 0.00 O ATOM 593 CB SER A 44 -1.260 -0.451 -2.077 1.00 0.00 C ATOM 594 OG SER A 44 -2.249 -1.138 -1.342 1.00 0.00 O ATOM 0 H SER A 44 -2.320 -1.992 -3.696 1.00 0.00 H new ATOM 0 HA SER A 44 0.262 -0.868 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.597 0.081 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.729 0.298 -2.715 1.00 0.00 H new ATOM 0 HG SER A 44 -2.323 -0.745 -0.447 1.00 0.00 H new ATOM 600 N LEU A 45 -0.208 -3.470 -1.534 1.00 0.00 N ATOM 601 CA LEU A 45 0.516 -4.497 -0.774 1.00 0.00 C ATOM 602 C LEU A 45 1.657 -5.117 -1.601 1.00 0.00 C ATOM 603 O LEU A 45 2.788 -5.220 -1.122 1.00 0.00 O ATOM 604 CB LEU A 45 -0.489 -5.530 -0.219 1.00 0.00 C ATOM 605 CG LEU A 45 0.053 -6.708 0.624 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.591 -7.876 -0.208 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.107 -6.297 1.649 1.00 0.00 C ATOM 0 H LEU A 45 -1.202 -3.672 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 45 1.012 -4.039 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.214 -4.992 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.033 -5.950 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.833 -7.052 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.952 -8.661 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.206 -8.272 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.411 -7.528 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.439 -7.176 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.957 -5.848 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.678 -5.574 2.342 1.00 0.00 H new ATOM 619 N THR A 46 1.408 -5.456 -2.865 1.00 0.00 N ATOM 620 CA THR A 46 2.436 -6.040 -3.752 1.00 0.00 C ATOM 621 C THR A 46 3.608 -5.078 -3.987 1.00 0.00 C ATOM 622 O THR A 46 4.753 -5.520 -4.083 1.00 0.00 O ATOM 623 CB THR A 46 1.822 -6.483 -5.094 1.00 0.00 C ATOM 624 OG1 THR A 46 0.763 -7.391 -4.869 1.00 0.00 O ATOM 625 CG2 THR A 46 2.825 -7.218 -5.985 1.00 0.00 C ATOM 0 H THR A 46 0.497 -5.338 -3.309 1.00 0.00 H new ATOM 0 HA THR A 46 2.831 -6.920 -3.244 1.00 0.00 H new ATOM 0 HB THR A 46 1.488 -5.568 -5.584 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.004 -6.916 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.340 -7.507 -6.917 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.667 -6.562 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.184 -8.110 -5.471 1.00 0.00 H new ATOM 633 N GLU A 47 3.383 -3.761 -4.006 1.00 0.00 N ATOM 634 CA GLU A 47 4.471 -2.775 -4.083 1.00 0.00 C ATOM 635 C GLU A 47 5.348 -2.732 -2.815 1.00 0.00 C ATOM 636 O GLU A 47 6.564 -2.559 -2.928 1.00 0.00 O ATOM 637 CB GLU A 47 3.889 -1.398 -4.441 1.00 0.00 C ATOM 638 CG GLU A 47 4.931 -0.287 -4.668 1.00 0.00 C ATOM 639 CD GLU A 47 5.876 -0.519 -5.866 1.00 0.00 C ATOM 640 OE1 GLU A 47 5.684 -1.487 -6.640 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.808 0.300 -6.057 1.00 0.00 O1- ATOM 0 H GLU A 47 2.451 -3.348 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 47 5.151 -3.088 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.286 -1.499 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.217 -1.086 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.408 0.658 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.532 -0.182 -3.765 1.00 0.00 H new ATOM 648 N ILE A 48 4.780 -2.965 -1.623 1.00 0.00 N ATOM 649 CA ILE A 48 5.555 -3.135 -0.370 1.00 0.00 C ATOM 650 C ILE A 48 6.477 -4.357 -0.484 1.00 0.00 C ATOM 651 O ILE A 48 7.672 -4.265 -0.187 1.00 0.00 O ATOM 652 CB ILE A 48 4.632 -3.265 0.868 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.677 -2.060 1.026 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.461 -3.462 2.150 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.514 -2.346 1.988 1.00 0.00 C ATOM 0 H ILE A 48 3.771 -3.042 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 48 6.160 -2.240 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 48 4.013 -4.147 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.240 -1.201 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.277 -1.789 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.792 -3.551 3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.059 -4.369 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.120 -2.606 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.876 -1.465 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.930 -3.187 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.909 -2.589 2.974 1.00 0.00 H new ATOM 667 N LYS A 49 5.942 -5.491 -0.968 1.00 0.00 N ATOM 668 CA LYS A 49 6.702 -6.735 -1.207 1.00 0.00 C ATOM 669 C LYS A 49 7.863 -6.501 -2.178 1.00 0.00 C ATOM 670 O LYS A 49 8.989 -6.889 -1.874 1.00 0.00 O ATOM 671 CB LYS A 49 5.780 -7.851 -1.751 1.00 0.00 C ATOM 672 CG LYS A 49 4.579 -8.232 -0.863 1.00 0.00 C ATOM 673 CD LYS A 49 4.979 -8.940 0.431 1.00 0.00 C ATOM 674 CE LYS A 49 3.727 -9.344 1.226 1.00 0.00 C ATOM 675 NZ LYS A 49 4.081 -10.144 2.422 1.00 0.00 N1+ ATOM 0 H LYS A 49 4.954 -5.573 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 49 7.112 -7.053 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.402 -7.539 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.383 -8.744 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.019 -7.330 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.909 -8.878 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.573 -9.824 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.605 -8.283 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.184 -8.450 1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.058 -9.920 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.214 -10.515 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.693 -10.937 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.585 -9.543 3.105 1.00 0.00 H new ATOM 689 N ARG A 50 7.627 -5.801 -3.301 1.00 0.00 N ATOM 690 CA ARG A 50 8.660 -5.418 -4.281 1.00 0.00 C ATOM 691 C ARG A 50 9.737 -4.506 -3.688 1.00 0.00 C ATOM 692 O ARG A 50 10.924 -4.752 -3.920 1.00 0.00 O ATOM 693 CB ARG A 50 8.022 -4.773 -5.525 1.00 0.00 C ATOM 694 CG ARG A 50 7.314 -5.804 -6.421 1.00 0.00 C ATOM 695 CD ARG A 50 6.895 -5.212 -7.775 1.00 0.00 C ATOM 696 NE ARG A 50 5.862 -4.165 -7.638 1.00 0.00 N ATOM 697 CZ ARG A 50 4.611 -4.191 -8.053 1.00 0.00 C ATOM 698 NH1 ARG A 50 4.074 -5.210 -8.665 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 3.870 -3.149 -7.844 1.00 0.00 N ATOM 0 H ARG A 50 6.694 -5.479 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 50 9.162 -6.339 -4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.304 -4.015 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.793 -4.262 -6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.977 -6.653 -6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.432 -6.185 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.770 -4.792 -8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.517 -6.009 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 50 6.154 -3.312 -7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.629 -6.047 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.099 -5.170 -8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.258 -2.334 -7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.899 -3.143 -8.155 1.00 0.00 H new ATOM 713 N LEU A 51 9.361 -3.512 -2.883 1.00 0.00 N ATOM 714 CA LEU A 51 10.306 -2.615 -2.203 1.00 0.00 C ATOM 715 C LEU A 51 11.240 -3.382 -1.256 1.00 0.00 C ATOM 716 O LEU A 51 12.458 -3.207 -1.306 1.00 0.00 O ATOM 717 CB LEU A 51 9.544 -1.517 -1.426 1.00 0.00 C ATOM 718 CG LEU A 51 9.744 -0.081 -1.940 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.219 0.331 -1.892 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.199 0.098 -3.354 1.00 0.00 C ATOM 0 H LEU A 51 8.384 -3.302 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 51 10.923 -2.148 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.479 -1.749 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.851 -1.556 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 51 9.179 0.570 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.324 1.351 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.578 0.279 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.806 -0.344 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.360 1.126 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.715 -0.582 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.131 -0.122 -3.363 1.00 0.00 H new ATOM 732 N LYS A 52 10.671 -4.249 -0.410 1.00 0.00 N ATOM 733 CA LYS A 52 11.420 -5.032 0.584 1.00 0.00 C ATOM 734 C LYS A 52 12.311 -6.091 -0.073 1.00 0.00 C ATOM 735 O LYS A 52 13.437 -6.295 0.377 1.00 0.00 O ATOM 736 CB LYS A 52 10.439 -5.612 1.618 1.00 0.00 C ATOM 737 CG LYS A 52 9.876 -4.473 2.484 1.00 0.00 C ATOM 738 CD LYS A 52 8.855 -4.961 3.514 1.00 0.00 C ATOM 739 CE LYS A 52 8.364 -3.751 4.312 1.00 0.00 C ATOM 740 NZ LYS A 52 7.500 -4.140 5.449 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.667 -4.430 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 52 12.112 -4.377 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.627 -6.134 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.946 -6.344 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.697 -3.975 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.408 -3.730 1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.019 -5.453 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.308 -5.696 4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.222 -3.193 4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.812 -3.083 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.954 -3.315 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.847 -4.892 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.091 -4.487 6.231 1.00 0.00 H new ATOM 754 N ALA A 53 11.863 -6.695 -1.177 1.00 0.00 N ATOM 755 CA ALA A 53 12.678 -7.605 -1.985 1.00 0.00 C ATOM 756 C ALA A 53 13.874 -6.892 -2.648 1.00 0.00 C ATOM 757 O ALA A 53 15.001 -7.391 -2.582 1.00 0.00 O ATOM 758 CB ALA A 53 11.772 -8.281 -3.024 1.00 0.00 C ATOM 0 H ALA A 53 10.918 -6.565 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 53 13.114 -8.361 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.364 -8.963 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.987 -8.839 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.321 -7.521 -3.662 1.00 0.00 H new ATOM 764 N ALA A 54 13.669 -5.703 -3.228 1.00 0.00 N ATOM 765 CA ALA A 54 14.743 -4.888 -3.808 1.00 0.00 C ATOM 766 C ALA A 54 15.760 -4.408 -2.755 1.00 0.00 C ATOM 767 O ALA A 54 16.971 -4.490 -2.984 1.00 0.00 O ATOM 768 CB ALA A 54 14.111 -3.710 -4.561 1.00 0.00 C ATOM 0 H ALA A 54 12.746 -5.276 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 54 15.313 -5.506 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.897 -3.094 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.464 -4.089 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.522 -3.109 -3.868 1.00 0.00 H new ATOM 774 N ASN A 55 15.288 -3.974 -1.579 1.00 0.00 N ATOM 775 CA ASN A 55 16.135 -3.576 -0.445 1.00 0.00 C ATOM 776 C ASN A 55 16.980 -4.763 0.067 1.00 0.00 C ATOM 777 O ASN A 55 18.191 -4.645 0.248 1.00 0.00 O ATOM 778 CB ASN A 55 15.218 -2.970 0.639 1.00 0.00 C ATOM 779 CG ASN A 55 15.968 -2.150 1.678 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.985 -2.551 2.219 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.499 -0.962 1.987 1.00 0.00 N ATOM 0 H ASN A 55 14.290 -3.888 -1.385 1.00 0.00 H new ATOM 0 HA ASN A 55 16.861 -2.822 -0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.470 -2.338 0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.681 -3.775 1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.985 -0.385 2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.649 -0.617 1.540 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.366 -14.029 -0.167 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.376 -13.126 0.383 1.00 0.00 C ATOM 1056 C PRO B 110 -9.776 -11.858 1.005 1.00 0.00 C ATOM 1057 O PRO B 110 -8.592 -11.795 1.354 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.164 -13.958 1.408 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.149 -14.994 1.874 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.346 -15.270 0.606 1.00 0.00 C ATOM 0 HA PRO B 110 -11.023 -12.748 -0.408 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.521 -13.344 2.235 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.039 -14.427 0.958 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.519 -14.611 2.677 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.633 -15.895 2.251 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.324 -15.562 0.848 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.785 -16.090 0.038 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.620 -10.837 1.173 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.221 -9.496 1.632 1.00 0.00 C ATOM 1070 C ILE B 111 -9.591 -9.481 3.037 1.00 0.00 C ATOM 1071 O ILE B 111 -8.702 -8.674 3.314 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.419 -8.529 1.525 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.925 -7.087 1.748 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.574 -8.885 2.481 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.923 -6.041 1.262 1.00 0.00 C ATOM 0 H ILE B 111 -11.621 -10.917 0.991 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.426 -9.154 0.970 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.836 -8.623 0.523 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.732 -6.934 2.810 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.977 -6.948 1.228 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.384 -8.167 2.356 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.939 -9.887 2.254 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.217 -8.854 3.510 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.523 -5.044 1.444 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -12.097 -6.173 0.194 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.864 -6.158 1.800 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.986 -10.406 3.907 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.414 -10.528 5.253 1.00 0.00 C ATOM 1089 C ASP B 112 -7.954 -11.008 5.239 1.00 0.00 C ATOM 1090 O ASP B 112 -7.180 -10.618 6.112 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.284 -11.459 6.110 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.736 -10.980 6.299 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.031 -9.777 6.108 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.594 -11.826 6.657 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.711 -11.094 3.703 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.406 -9.531 5.693 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.298 -12.448 5.651 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.820 -11.569 7.090 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.552 -11.802 4.235 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.180 -12.304 4.090 1.00 0.00 C ATOM 1101 C GLU B 113 -5.225 -11.247 3.514 1.00 0.00 C ATOM 1102 O GLU B 113 -4.149 -11.051 4.070 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.156 -13.583 3.233 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.803 -14.791 3.931 1.00 0.00 C ATOM 1105 CD GLU B 113 -6.092 -15.230 5.228 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -4.841 -15.148 5.318 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -6.784 -15.701 6.163 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.178 -12.116 3.494 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.822 -12.544 5.091 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.675 -13.393 2.294 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -5.123 -13.826 2.983 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.840 -14.549 4.163 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.819 -15.631 3.237 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.612 -10.512 2.461 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.793 -9.393 1.955 1.00 0.00 C ATOM 1116 C LEU B 114 -4.725 -8.233 2.967 1.00 0.00 C ATOM 1117 O LEU B 114 -3.663 -7.619 3.111 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.237 -8.972 0.544 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.660 -8.402 0.428 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.671 -6.873 0.448 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.316 -8.849 -0.880 1.00 0.00 C ATOM 0 H LEU B 114 -6.478 -10.667 1.945 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.765 -9.738 1.849 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.536 -8.225 0.172 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.159 -9.838 -0.114 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.210 -8.781 1.289 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.697 -6.515 0.364 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.239 -6.518 1.384 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.085 -6.494 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.322 -8.435 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.724 -8.494 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.369 -9.937 -0.907 1.00 0.00 H new ATOM 1133 N SER B 115 -5.791 -8.002 3.747 1.00 0.00 N ATOM 1134 CA SER B 115 -5.769 -7.103 4.914 1.00 0.00 C ATOM 1135 C SER B 115 -4.796 -7.599 6.000 1.00 0.00 C ATOM 1136 O SER B 115 -3.957 -6.837 6.470 1.00 0.00 O ATOM 1137 CB SER B 115 -7.189 -6.943 5.484 1.00 0.00 C ATOM 1138 OG SER B 115 -7.193 -6.119 6.641 1.00 0.00 O ATOM 0 H SER B 115 -6.700 -8.436 3.586 1.00 0.00 H new ATOM 0 HA SER B 115 -5.409 -6.130 4.581 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.841 -6.510 4.725 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.596 -7.923 5.732 1.00 0.00 H new ATOM 0 HG SER B 115 -8.109 -6.035 6.979 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.827 -8.888 6.355 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.869 -9.475 7.302 1.00 0.00 C ATOM 1146 C ALA B 116 -2.408 -9.375 6.817 1.00 0.00 C ATOM 1147 O ALA B 116 -1.514 -9.146 7.631 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.274 -10.925 7.591 1.00 0.00 C ATOM 0 H ALA B 116 -5.513 -9.552 5.997 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.906 -8.898 8.226 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.567 -11.367 8.293 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.275 -10.944 8.023 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.268 -11.496 6.663 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.151 -9.484 5.507 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.814 -9.335 4.920 1.00 0.00 C ATOM 1156 C LEU B 117 -0.277 -7.899 5.038 1.00 0.00 C ATOM 1157 O LEU B 117 0.837 -7.733 5.527 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.823 -9.832 3.456 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.260 -11.255 3.271 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -0.914 -12.324 4.150 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.450 -11.687 1.814 1.00 0.00 C ATOM 0 H LEU B 117 -2.876 -9.681 4.817 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.124 -9.956 5.492 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.846 -9.806 3.081 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.242 -9.141 2.845 1.00 0.00 H new ATOM 0 HG LEU B 117 0.788 -11.190 3.565 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.453 -13.291 3.950 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.776 -12.066 5.200 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.980 -12.377 3.927 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.053 -12.693 1.678 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.512 -11.679 1.568 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.080 -10.996 1.158 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.030 -6.863 4.657 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.562 -5.475 4.829 1.00 0.00 C ATOM 1175 C LEU B 118 -0.421 -5.081 6.316 1.00 0.00 C ATOM 1176 O LEU B 118 0.531 -4.391 6.679 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.412 -4.499 3.982 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.881 -4.298 4.397 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -3.079 -3.150 5.386 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.731 -3.976 3.177 1.00 0.00 C ATOM 0 H LEU B 118 -1.954 -6.951 4.233 1.00 0.00 H new ATOM 0 HA LEU B 118 0.453 -5.403 4.438 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.922 -3.526 3.996 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.398 -4.848 2.950 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.179 -5.232 4.873 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -4.136 -3.064 5.636 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.507 -3.348 6.292 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.735 -2.219 4.936 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.768 -3.836 3.483 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.364 -3.063 2.709 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.671 -4.798 2.464 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.303 -5.587 7.188 1.00 0.00 N ATOM 1193 CA ARG B 119 -1.202 -5.436 8.653 1.00 0.00 C ATOM 1194 C ARG B 119 0.058 -6.096 9.214 1.00 0.00 C ATOM 1195 O ARG B 119 0.760 -5.475 10.012 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.478 -6.006 9.297 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.655 -5.034 9.135 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.989 -5.714 9.455 1.00 0.00 C ATOM 1199 NE ARG B 119 -6.051 -4.713 9.660 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.457 -4.213 10.815 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -5.969 -4.593 11.961 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -7.381 -3.294 10.841 1.00 0.00 N ATOM 0 H ARG B 119 -2.121 -6.122 6.895 1.00 0.00 H new ATOM 0 HA ARG B 119 -1.116 -4.377 8.895 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.726 -6.963 8.838 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -2.302 -6.197 10.356 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.514 -4.177 9.794 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.675 -4.652 8.114 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -5.266 -6.383 8.640 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.884 -6.328 10.350 1.00 0.00 H new ATOM 0 HE ARG B 119 -6.522 -4.370 8.823 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.241 -5.306 11.994 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -6.315 -4.177 12.826 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -7.792 -2.959 9.970 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -7.693 -2.910 11.733 1.00 0.00 H new ATOM 1216 N GLN B 120 0.390 -7.307 8.766 1.00 0.00 N ATOM 1217 CA GLN B 120 1.610 -8.028 9.123 1.00 0.00 C ATOM 1218 C GLN B 120 2.878 -7.331 8.606 1.00 0.00 C ATOM 1219 O GLN B 120 3.868 -7.254 9.333 1.00 0.00 O ATOM 1220 CB GLN B 120 1.458 -9.461 8.592 1.00 0.00 C ATOM 1221 CG GLN B 120 2.686 -10.341 8.847 1.00 0.00 C ATOM 1222 CD GLN B 120 2.484 -11.841 8.608 1.00 0.00 C ATOM 1223 OE1 GLN B 120 3.332 -12.660 8.942 1.00 0.00 O ATOM 1224 NE2 GLN B 120 1.377 -12.280 8.039 1.00 0.00 N ATOM 0 H GLN B 120 -0.204 -7.830 8.123 1.00 0.00 H new ATOM 0 HA GLN B 120 1.737 -8.044 10.205 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.587 -9.922 9.058 1.00 0.00 H new ATOM 0 HB3 GLN B 120 1.264 -9.424 7.520 1.00 0.00 H new ATOM 0 HG2 GLN B 120 3.498 -9.995 8.208 1.00 0.00 H new ATOM 0 HG3 GLN B 120 3.008 -10.195 9.878 1.00 0.00 H new ATOM 0 HE21 GLN B 120 0.655 -11.620 7.751 1.00 0.00 H new ATOM 0 HE22 GLN B 120 1.244 -13.280 7.887 1.00 0.00 H new ATOM 1233 N GLU B 121 2.863 -6.752 7.400 1.00 0.00 N ATOM 1234 CA GLU B 121 3.981 -5.946 6.879 1.00 0.00 C ATOM 1235 C GLU B 121 4.265 -4.687 7.716 1.00 0.00 C ATOM 1236 O GLU B 121 5.431 -4.342 7.925 1.00 0.00 O ATOM 1237 CB GLU B 121 3.713 -5.535 5.410 1.00 0.00 C ATOM 1238 CG GLU B 121 3.927 -6.659 4.386 1.00 0.00 C ATOM 1239 CD GLU B 121 5.342 -7.256 4.426 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.504 -8.452 4.092 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.294 -6.527 4.793 1.00 0.00 O1- ATOM 0 H GLU B 121 2.077 -6.827 6.755 1.00 0.00 H new ATOM 0 HA GLU B 121 4.865 -6.581 6.939 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.687 -5.176 5.328 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.365 -4.699 5.155 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.201 -7.451 4.569 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.732 -6.272 3.386 1.00 0.00 H new ATOM 1248 N MET B 122 3.217 -4.038 8.234 1.00 0.00 N ATOM 1249 CA MET B 122 3.311 -2.901 9.162 1.00 0.00 C ATOM 1250 C MET B 122 3.493 -3.296 10.645 1.00 0.00 C ATOM 1251 O MET B 122 3.653 -2.417 11.497 1.00 0.00 O ATOM 1252 CB MET B 122 2.086 -1.994 8.962 1.00 0.00 C ATOM 1253 CG MET B 122 2.180 -1.249 7.627 1.00 0.00 C ATOM 1254 SD MET B 122 0.787 -0.157 7.249 1.00 0.00 S ATOM 1255 CE MET B 122 -0.408 -1.388 6.665 1.00 0.00 C ATOM 0 H MET B 122 2.254 -4.294 8.015 1.00 0.00 H new ATOM 0 HA MET B 122 4.226 -2.361 8.918 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.175 -2.593 8.987 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.019 -1.278 9.781 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.095 -0.657 7.624 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.272 -1.983 6.826 1.00 0.00 H new ATOM 0 HE1 MET B 122 -1.231 -0.884 6.158 1.00 0.00 H new ATOM 0 HE2 MET B 122 0.082 -2.070 5.971 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.795 -1.951 7.514 1.00 0.00 H new ATOM 1349 N SER B 133 -17.137 -0.380 4.421 1.00 0.00 N ATOM 1350 CA SER B 133 -17.597 1.019 4.538 1.00 0.00 C ATOM 1351 C SER B 133 -16.584 2.013 3.943 1.00 0.00 C ATOM 1352 O SER B 133 -15.380 1.755 3.945 1.00 0.00 O ATOM 1353 CB SER B 133 -17.870 1.377 6.006 1.00 0.00 C ATOM 1354 OG SER B 133 -18.854 0.524 6.576 1.00 0.00 O ATOM 0 HA SER B 133 -18.521 1.098 3.966 1.00 0.00 H new ATOM 0 HB2 SER B 133 -16.945 1.301 6.578 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.202 2.413 6.073 1.00 0.00 H new ATOM 0 HG SER B 133 -18.768 -0.375 6.195 1.00 0.00 H new ATOM 1360 N MET B 134 -17.055 3.167 3.453 1.00 0.00 N ATOM 1361 CA MET B 134 -16.241 4.091 2.644 1.00 0.00 C ATOM 1362 C MET B 134 -15.070 4.755 3.397 1.00 0.00 C ATOM 1363 O MET B 134 -14.082 5.161 2.783 1.00 0.00 O ATOM 1364 CB MET B 134 -17.148 5.143 1.989 1.00 0.00 C ATOM 1365 CG MET B 134 -16.564 5.612 0.652 1.00 0.00 C ATOM 1366 SD MET B 134 -16.669 4.370 -0.669 1.00 0.00 S ATOM 1367 CE MET B 134 -15.503 5.105 -1.839 1.00 0.00 C ATOM 0 H MET B 134 -18.011 3.489 3.605 1.00 0.00 H new ATOM 0 HA MET B 134 -15.761 3.480 1.880 1.00 0.00 H new ATOM 0 HB2 MET B 134 -18.141 4.724 1.829 1.00 0.00 H new ATOM 0 HB3 MET B 134 -17.265 5.995 2.658 1.00 0.00 H new ATOM 0 HG2 MET B 134 -17.088 6.513 0.333 1.00 0.00 H new ATOM 0 HG3 MET B 134 -15.519 5.886 0.798 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.365 4.433 -2.686 1.00 0.00 H new ATOM 0 HE2 MET B 134 -15.895 6.059 -2.192 1.00 0.00 H new ATOM 0 HE3 MET B 134 -14.545 5.267 -1.345 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.131 4.828 4.731 1.00 0.00 N ATOM 1378 CA GLN B 135 -14.000 5.259 5.565 1.00 0.00 C ATOM 1379 C GLN B 135 -12.950 4.142 5.774 1.00 0.00 C ATOM 1380 O GLN B 135 -11.750 4.410 5.771 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.556 5.774 6.903 1.00 0.00 C ATOM 1382 CG GLN B 135 -13.470 6.417 7.783 1.00 0.00 C ATOM 1383 CD GLN B 135 -14.031 7.075 9.048 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -15.126 6.782 9.520 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -13.297 7.986 9.658 1.00 0.00 N ATOM 0 H GLN B 135 -15.967 4.590 5.265 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.468 6.059 5.050 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.342 6.504 6.709 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.016 4.947 7.444 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -12.744 5.655 8.068 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -12.934 7.165 7.199 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -12.385 8.242 9.281 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -13.642 8.434 10.507 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.381 2.886 5.918 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.488 1.745 6.194 1.00 0.00 C ATOM 1396 C ASP B 136 -11.591 1.405 4.990 1.00 0.00 C ATOM 1397 O ASP B 136 -10.400 1.121 5.161 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.310 0.510 6.617 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.135 0.687 7.907 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.061 -0.132 8.128 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -13.852 1.602 8.719 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.364 2.625 5.847 1.00 0.00 H new ATOM 0 HA ASP B 136 -11.832 2.037 7.014 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -13.987 0.247 5.804 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.630 -0.332 6.751 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.132 1.493 3.770 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.346 1.369 2.529 1.00 0.00 C ATOM 1408 C ILE B 137 -10.275 2.464 2.429 1.00 0.00 C ATOM 1409 O ILE B 137 -9.122 2.153 2.140 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.270 1.323 1.286 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.440 1.133 -0.002 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.188 2.545 1.175 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.282 0.848 -1.257 1.00 0.00 C ATOM 0 H ILE B 137 -13.127 1.652 3.611 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.812 0.419 2.561 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.925 0.461 1.414 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.845 2.030 -0.173 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.741 0.310 0.148 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.810 2.453 0.285 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.825 2.603 2.058 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.583 3.449 1.104 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.624 0.727 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.857 -0.066 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.963 1.680 -1.435 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.610 3.719 2.759 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.643 4.817 2.764 1.00 0.00 C ATOM 1427 C GLN B 138 -8.547 4.608 3.827 1.00 0.00 C ATOM 1428 O GLN B 138 -7.375 4.824 3.533 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.346 6.167 2.978 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.157 6.606 1.746 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.804 7.992 1.859 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -12.637 8.377 1.045 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.449 8.820 2.824 1.00 0.00 N ATOM 0 H GLN B 138 -11.554 3.997 3.028 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.161 4.826 1.786 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.009 6.096 3.840 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.602 6.929 3.210 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.501 6.597 0.875 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.940 5.870 1.563 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.759 8.530 3.517 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.865 9.750 2.877 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.895 4.137 5.032 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.930 3.831 6.108 1.00 0.00 C ATOM 1444 C GLN B 139 -6.922 2.741 5.701 1.00 0.00 C ATOM 1445 O GLN B 139 -5.712 2.967 5.756 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.668 3.414 7.398 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.372 4.579 8.114 1.00 0.00 C ATOM 1448 CD GLN B 139 -8.441 5.465 8.941 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -7.221 5.451 8.834 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -8.991 6.285 9.811 1.00 0.00 N ATOM 0 H GLN B 139 -9.864 3.954 5.294 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.365 4.745 6.294 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.407 2.651 7.152 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.954 2.957 8.083 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -9.875 5.196 7.370 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -10.145 4.174 8.768 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -10.005 6.312 9.916 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.403 6.893 10.381 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.395 1.575 5.249 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.538 0.453 4.834 1.00 0.00 C ATOM 1461 C LEU B 140 -5.636 0.834 3.646 1.00 0.00 C ATOM 1462 O LEU B 140 -4.439 0.526 3.637 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.430 -0.756 4.478 1.00 0.00 C ATOM 1464 CG LEU B 140 -8.164 -1.405 5.670 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -9.227 -2.380 5.159 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -7.209 -2.189 6.576 1.00 0.00 C ATOM 0 H LEU B 140 -8.392 1.379 5.159 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.878 0.192 5.662 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.172 -0.437 3.746 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -6.812 -1.514 3.996 1.00 0.00 H new ATOM 0 HG LEU B 140 -8.614 -0.595 6.243 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -9.741 -2.834 6.006 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -9.948 -1.842 4.543 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -8.750 -3.159 4.564 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.769 -2.628 7.401 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -6.729 -2.981 6.001 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -6.448 -1.516 6.971 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.195 1.542 2.663 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.499 1.919 1.433 1.00 0.00 C ATOM 1480 C LEU B 141 -4.508 3.089 1.639 1.00 0.00 C ATOM 1481 O LEU B 141 -3.486 3.146 0.960 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.568 2.178 0.353 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.061 2.172 -1.102 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.484 0.813 -1.492 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.229 2.456 -2.049 1.00 0.00 C ATOM 0 H LEU B 141 -7.159 1.874 2.700 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.854 1.106 1.099 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.347 1.422 0.450 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.034 3.143 0.552 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.285 2.933 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.137 0.848 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.648 0.571 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.255 0.049 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.872 2.452 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.992 1.687 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.657 3.431 -1.817 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.747 3.973 2.618 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.785 4.987 3.065 1.00 0.00 C ATOM 1499 C ALA B 142 -2.605 4.372 3.850 1.00 0.00 C ATOM 1500 O ALA B 142 -1.454 4.767 3.637 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.506 6.035 3.922 1.00 0.00 C ATOM 0 H ALA B 142 -5.629 4.003 3.129 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.364 5.459 2.178 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.791 6.788 4.254 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.288 6.512 3.332 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.952 5.550 4.791 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.864 3.393 4.734 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.816 2.721 5.529 1.00 0.00 C ATOM 1509 C LYS B 143 -0.817 1.963 4.645 1.00 0.00 C ATOM 1510 O LYS B 143 0.392 2.175 4.760 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.448 1.778 6.566 1.00 0.00 C ATOM 1512 CG LYS B 143 -3.030 2.504 7.788 1.00 0.00 C ATOM 1513 CD LYS B 143 -3.658 1.529 8.799 1.00 0.00 C ATOM 1514 CE LYS B 143 -2.624 0.573 9.416 1.00 0.00 C ATOM 1515 NZ LYS B 143 -3.233 -0.303 10.446 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.804 3.044 4.919 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.258 3.497 6.052 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.239 1.202 6.086 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -1.695 1.066 6.903 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -2.242 3.075 8.278 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -3.784 3.219 7.459 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -4.142 2.097 9.593 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -4.435 0.947 8.303 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -2.182 -0.041 8.631 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.815 1.151 9.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -2.506 -0.934 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -3.633 0.282 11.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -3.989 -0.873 10.015 1.00 0.00 H new ATOM 1529 N SER B 144 -1.311 1.142 3.712 1.00 0.00 N ATOM 1530 CA SER B 144 -0.456 0.423 2.747 1.00 0.00 C ATOM 1531 C SER B 144 0.338 1.371 1.828 1.00 0.00 C ATOM 1532 O SER B 144 1.521 1.137 1.593 1.00 0.00 O ATOM 1533 CB SER B 144 -1.278 -0.579 1.926 1.00 0.00 C ATOM 1534 OG SER B 144 -2.349 0.055 1.246 1.00 0.00 O ATOM 0 H SER B 144 -2.307 0.954 3.600 1.00 0.00 H new ATOM 0 HA SER B 144 0.279 -0.128 3.333 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.631 -1.075 1.203 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.672 -1.353 2.585 1.00 0.00 H new ATOM 0 HG SER B 144 -3.054 0.283 1.887 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.245 2.496 1.388 1.00 0.00 N ATOM 1541 CA LEU B 145 0.466 3.565 0.661 1.00 0.00 C ATOM 1542 C LEU B 145 1.589 4.208 1.505 1.00 0.00 C ATOM 1543 O LEU B 145 2.705 4.396 1.018 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.593 4.556 0.132 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.134 5.812 -0.635 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.254 6.974 0.277 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.986 5.546 -1.640 1.00 0.00 C ATOM 0 H LEU B 145 -1.236 2.694 1.527 1.00 0.00 H new ATOM 0 HA LEU B 145 1.007 3.156 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.264 4.000 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.184 4.891 0.985 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.021 6.105 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.567 7.824 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.603 7.259 0.887 1.00 0.00 H new ATOM 0 HD13 LEU B 145 1.076 6.669 0.925 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.255 6.477 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.857 5.150 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.646 4.822 -2.380 1.00 0.00 H new ATOM 1559 N THR B 146 1.342 4.473 2.789 1.00 0.00 N ATOM 1560 CA THR B 146 2.358 5.010 3.724 1.00 0.00 C ATOM 1561 C THR B 146 3.543 4.048 3.904 1.00 0.00 C ATOM 1562 O THR B 146 4.695 4.480 3.938 1.00 0.00 O ATOM 1563 CB THR B 146 1.724 5.342 5.090 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.723 6.326 4.925 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.728 5.912 6.094 1.00 0.00 C ATOM 0 H THR B 146 0.430 4.324 3.221 1.00 0.00 H new ATOM 0 HA THR B 146 2.745 5.928 3.282 1.00 0.00 H new ATOM 0 HB THR B 146 1.328 4.401 5.472 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.063 5.925 4.499 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.221 6.125 7.035 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.522 5.186 6.266 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.157 6.832 5.697 1.00 0.00 H new ATOM 1573 N GLU B 147 3.291 2.739 3.946 1.00 0.00 N ATOM 1574 CA GLU B 147 4.338 1.713 4.059 1.00 0.00 C ATOM 1575 C GLU B 147 5.243 1.630 2.810 1.00 0.00 C ATOM 1576 O GLU B 147 6.450 1.436 2.950 1.00 0.00 O ATOM 1577 CB GLU B 147 3.669 0.373 4.409 1.00 0.00 C ATOM 1578 CG GLU B 147 4.609 -0.825 4.652 1.00 0.00 C ATOM 1579 CD GLU B 147 5.525 -0.723 5.881 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.368 -1.639 6.055 1.00 0.00 O ATOM 1581 OE2 GLU B 147 5.388 0.231 6.681 1.00 0.00 O1- ATOM 0 H GLU B 147 2.347 2.354 3.902 1.00 0.00 H new ATOM 0 HA GLU B 147 5.022 1.990 4.861 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.063 0.518 5.304 1.00 0.00 H new ATOM 0 HB3 GLU B 147 2.986 0.112 3.601 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.001 -1.724 4.750 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.233 -0.957 3.768 1.00 0.00 H new ATOM 1588 N ILE B 148 4.711 1.869 1.600 1.00 0.00 N ATOM 1589 CA ILE B 148 5.526 2.013 0.375 1.00 0.00 C ATOM 1590 C ILE B 148 6.488 3.202 0.518 1.00 0.00 C ATOM 1591 O ILE B 148 7.699 3.057 0.315 1.00 0.00 O ATOM 1592 CB ILE B 148 4.656 2.191 -0.897 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.727 0.982 -1.148 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.531 2.447 -2.142 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.576 1.302 -2.116 1.00 0.00 C ATOM 0 H ILE B 148 3.708 1.968 1.440 1.00 0.00 H new ATOM 0 HA ILE B 148 6.093 1.090 0.256 1.00 0.00 H new ATOM 0 HB ILE B 148 4.028 3.064 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.314 0.156 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.313 0.645 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.892 2.568 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE B 148 6.118 3.353 -1.994 1.00 0.00 H new ATOM 0 HG23 ILE B 148 6.201 1.601 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.958 0.414 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.968 2.108 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.985 1.611 -3.078 1.00 0.00 H new ATOM 1607 N LYS B 149 5.968 4.378 0.896 1.00 0.00 N ATOM 1608 CA LYS B 149 6.748 5.624 1.036 1.00 0.00 C ATOM 1609 C LYS B 149 7.859 5.491 2.088 1.00 0.00 C ATOM 1610 O LYS B 149 8.977 5.949 1.850 1.00 0.00 O ATOM 1611 CB LYS B 149 5.814 6.798 1.372 1.00 0.00 C ATOM 1612 CG LYS B 149 4.936 7.220 0.183 1.00 0.00 C ATOM 1613 CD LYS B 149 3.986 8.345 0.607 1.00 0.00 C ATOM 1614 CE LYS B 149 3.097 8.830 -0.543 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.854 9.604 -1.560 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.979 4.496 1.117 1.00 0.00 H new ATOM 0 HA LYS B 149 7.235 5.821 0.081 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.174 6.519 2.209 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.411 7.650 1.697 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.564 7.555 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.363 6.366 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.357 7.995 1.425 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.569 9.183 0.989 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.626 7.971 -1.021 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.296 9.450 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 3.194 10.185 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.542 10.222 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.356 8.948 -2.192 1.00 0.00 H new ATOM 1629 N ARG B 150 7.587 4.811 3.212 1.00 0.00 N ATOM 1630 CA ARG B 150 8.572 4.527 4.278 1.00 0.00 C ATOM 1631 C ARG B 150 9.774 3.737 3.745 1.00 0.00 C ATOM 1632 O ARG B 150 10.922 4.115 3.973 1.00 0.00 O ATOM 1633 CB ARG B 150 7.889 3.751 5.422 1.00 0.00 C ATOM 1634 CG ARG B 150 8.710 3.780 6.726 1.00 0.00 C ATOM 1635 CD ARG B 150 8.466 2.561 7.636 1.00 0.00 C ATOM 1636 NE ARG B 150 7.042 2.220 7.787 1.00 0.00 N ATOM 1637 CZ ARG B 150 6.118 2.793 8.531 1.00 0.00 C ATOM 1638 NH1 ARG B 150 6.357 3.814 9.306 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 4.913 2.308 8.492 1.00 0.00 N ATOM 0 H ARG B 150 6.661 4.434 3.414 1.00 0.00 H new ATOM 0 HA ARG B 150 8.947 5.479 4.654 1.00 0.00 H new ATOM 0 HB2 ARG B 150 6.903 4.177 5.608 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.737 2.716 5.115 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.770 3.831 6.477 1.00 0.00 H new ATOM 0 HG3 ARG B 150 8.468 4.689 7.277 1.00 0.00 H new ATOM 0 HD2 ARG B 150 8.997 1.701 7.228 1.00 0.00 H new ATOM 0 HD3 ARG B 150 8.891 2.761 8.620 1.00 0.00 H new ATOM 0 HE ARG B 150 6.724 1.423 7.235 1.00 0.00 H new ATOM 0 HH11 ARG B 150 7.297 4.207 9.357 1.00 0.00 H new ATOM 0 HH12 ARG B 150 5.604 4.220 9.862 1.00 0.00 H new ATOM 0 HH21 ARG B 150 4.705 1.506 7.897 1.00 0.00 H new ATOM 0 HH22 ARG B 150 4.175 2.729 9.056 1.00 0.00 H new ATOM 1653 N LEU B 151 9.515 2.658 3.000 1.00 0.00 N ATOM 1654 CA LEU B 151 10.553 1.780 2.456 1.00 0.00 C ATOM 1655 C LEU B 151 11.323 2.426 1.294 1.00 0.00 C ATOM 1656 O LEU B 151 12.538 2.237 1.210 1.00 0.00 O ATOM 1657 CB LEU B 151 9.931 0.425 2.058 1.00 0.00 C ATOM 1658 CG LEU B 151 9.873 -0.629 3.182 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.269 -1.152 3.530 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.201 -0.141 4.466 1.00 0.00 C ATOM 0 H LEU B 151 8.568 2.367 2.756 1.00 0.00 H new ATOM 0 HA LEU B 151 11.294 1.608 3.236 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.918 0.601 1.695 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.501 0.013 1.225 1.00 0.00 H new ATOM 0 HG LEU B 151 9.256 -1.429 2.773 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.192 -1.893 4.326 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.716 -1.611 2.648 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.895 -0.324 3.864 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.202 -0.943 5.205 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.748 0.716 4.860 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.174 0.152 4.250 1.00 0.00 H new ATOM 1672 N LYS B 152 10.675 3.247 0.453 1.00 0.00 N ATOM 1673 CA LYS B 152 11.374 4.074 -0.548 1.00 0.00 C ATOM 1674 C LYS B 152 12.341 5.068 0.096 1.00 0.00 C ATOM 1675 O LYS B 152 13.482 5.169 -0.353 1.00 0.00 O ATOM 1676 CB LYS B 152 10.367 4.801 -1.449 1.00 0.00 C ATOM 1677 CG LYS B 152 9.745 3.862 -2.487 1.00 0.00 C ATOM 1678 CD LYS B 152 8.894 4.650 -3.479 1.00 0.00 C ATOM 1679 CE LYS B 152 8.352 3.735 -4.584 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.777 4.546 -5.680 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.661 3.357 0.445 1.00 0.00 H new ATOM 0 HA LYS B 152 11.970 3.399 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.579 5.236 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.865 5.626 -1.958 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.531 3.326 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS B 152 9.131 3.113 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS B 152 8.064 5.125 -2.955 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.490 5.448 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.153 3.104 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS B 152 7.591 3.070 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 7.077 3.980 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.314 5.388 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.535 4.841 -6.328 1.00 0.00 H new ATOM 1694 N ALA B 153 11.927 5.743 1.172 1.00 0.00 N ATOM 1695 CA ALA B 153 12.796 6.656 1.916 1.00 0.00 C ATOM 1696 C ALA B 153 14.015 5.933 2.521 1.00 0.00 C ATOM 1697 O ALA B 153 15.143 6.406 2.374 1.00 0.00 O ATOM 1698 CB ALA B 153 11.964 7.369 2.986 1.00 0.00 C ATOM 0 H ALA B 153 10.982 5.672 1.550 1.00 0.00 H new ATOM 0 HA ALA B 153 13.204 7.396 1.228 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.601 8.052 3.547 1.00 0.00 H new ATOM 0 HB2 ALA B 153 11.162 7.931 2.508 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.536 6.632 3.665 1.00 0.00 H new ATOM 1704 N ALA B 154 13.824 4.755 3.129 1.00 0.00 N ATOM 1705 CA ALA B 154 14.911 3.942 3.686 1.00 0.00 C ATOM 1706 C ALA B 154 15.889 3.414 2.610 1.00 0.00 C ATOM 1707 O ALA B 154 17.110 3.502 2.771 1.00 0.00 O ATOM 1708 CB ALA B 154 14.281 2.793 4.480 1.00 0.00 C ATOM 0 H ALA B 154 12.902 4.336 3.249 1.00 0.00 H new ATOM 0 HA ALA B 154 15.519 4.570 4.337 1.00 0.00 H new ATOM 0 HB1 ALA B 154 15.068 2.171 4.906 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.665 3.200 5.282 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.661 2.190 3.817 1.00 0.00 H new ATOM 1714 N ASN B 155 15.361 2.915 1.484 1.00 0.00 N ATOM 1715 CA ASN B 155 16.133 2.429 0.339 1.00 0.00 C ATOM 1716 C ASN B 155 16.979 3.558 -0.290 1.00 0.00 C ATOM 1717 O ASN B 155 18.178 3.382 -0.505 1.00 0.00 O ATOM 1718 CB ASN B 155 15.132 1.800 -0.655 1.00 0.00 C ATOM 1719 CG ASN B 155 15.770 1.059 -1.818 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.609 1.576 -2.545 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.378 -0.174 -2.050 1.00 0.00 N ATOM 0 H ASN B 155 14.354 2.837 1.344 1.00 0.00 H new ATOM 0 HA ASN B 155 16.856 1.674 0.648 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.488 1.109 -0.112 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.492 2.588 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.772 -0.696 -2.833 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.679 -0.609 -1.447 1.00 0.00 H new ATOM 1728 N GLN B 156 16.394 4.740 -0.507 1.00 0.00 N ATOM 1729 CA GLN B 156 17.118 5.909 -1.017 1.00 0.00 C ATOM 1730 C GLN B 156 18.207 6.388 -0.032 1.00 0.00 C ATOM 1731 O GLN B 156 19.336 6.664 -0.447 1.00 0.00 O ATOM 1732 CB GLN B 156 16.111 7.025 -1.335 1.00 0.00 C ATOM 1733 CG GLN B 156 16.764 8.223 -2.048 1.00 0.00 C ATOM 1734 CD GLN B 156 15.915 9.487 -1.914 1.00 0.00 C ATOM 1735 OE1 GLN B 156 14.829 9.605 -2.476 1.00 0.00 O ATOM 1736 NE2 GLN B 156 16.368 10.476 -1.172 1.00 0.00 N ATOM 0 H GLN B 156 15.404 4.914 -0.334 1.00 0.00 H new ATOM 0 HA GLN B 156 17.640 5.628 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.315 6.624 -1.962 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.647 7.366 -0.409 1.00 0.00 H new ATOM 0 HG2 GLN B 156 17.754 8.402 -1.628 1.00 0.00 H new ATOM 0 HG3 GLN B 156 16.904 7.988 -3.103 1.00 0.00 H new ATOM 0 HE21 GLN B 156 17.268 10.389 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN B 156 15.818 11.329 -1.068 1.00 0.00 H new