USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=19 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 43 THR OG1 : rot 46:sc= 0.511 USER MOD Set 1.2: A 63 THR OG1 : rot -170:sc= 0.528 USER MOD Set 1.3: A 64 SER OG : rot -148:sc= 0.263 USER MOD Single : A 11 THR OG1 : rot -45:sc= 0.132 USER MOD Single : A 13 GLN : amide:sc= -4.04! C(o=-4!,f=-6!) USER MOD Single : A 14 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 18 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.3) USER MOD Single : A 20 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 1.26 (180deg=1.19) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 1.25 (180deg=0.0317) USER MOD Single : A 29 SER OG : rot 91:sc= 0.351 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00924 USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= 1.32 (180deg=0.899) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.7!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.03 K(o=1,f=-7.6!) USER MOD Single : A 71 ASN : amide:sc=-0.00626 X(o=-0.0063,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.245 X(o=-0.25,f=0) USER MOD Single : A 80 MET CE :methyl 163:sc= -0.106 (180deg=-0.612) USER MOD Single : A 81 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.016) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00323 USER MOD Single : A 86 CYS SG : rot -174:sc= -1.63! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 145:sc= 0 (180deg=-0.79) USER MOD Single : A 90 LYS NZ :NH3+ 152:sc= 1.26 (180deg=-0.0105!) USER MOD Single : A 93 MET CE :methyl 156:sc= -1.96! (180deg=-3.06!) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.323 1.934 -7.128 1.00 0.00 N ATOM 94 CA GLU A 9 4.986 1.621 -7.520 1.00 0.00 C ATOM 95 C GLU A 9 4.902 0.128 -7.853 1.00 0.00 C ATOM 96 O GLU A 9 3.916 -0.540 -7.529 1.00 0.00 O ATOM 97 CB GLU A 9 4.589 2.498 -8.706 1.00 0.00 C ATOM 98 CG GLU A 9 3.098 2.561 -8.982 1.00 0.00 C ATOM 99 CD GLU A 9 2.784 3.365 -10.219 1.00 0.00 C ATOM 100 OE1 GLU A 9 2.697 4.615 -10.139 1.00 0.00 O ATOM 101 OE2 GLU A 9 2.632 2.776 -11.296 1.00 0.00 O ATOM 0 HA GLU A 9 4.286 1.825 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.954 3.510 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.094 2.128 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.708 1.550 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.589 3.002 -8.125 1.00 0.00 H new ATOM 108 N TRP A 10 5.984 -0.391 -8.452 1.00 0.00 N ATOM 109 CA TRP A 10 6.125 -1.808 -8.739 1.00 0.00 C ATOM 110 C TRP A 10 6.063 -2.617 -7.458 1.00 0.00 C ATOM 111 O TRP A 10 5.293 -3.549 -7.352 1.00 0.00 O ATOM 112 CB TRP A 10 7.458 -2.109 -9.466 1.00 0.00 C ATOM 113 CG TRP A 10 7.745 -3.585 -9.644 1.00 0.00 C ATOM 114 CD1 TRP A 10 7.265 -4.387 -10.614 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.570 -4.426 -8.814 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.725 -5.664 -10.463 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.527 -5.718 -9.361 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.337 -4.212 -7.665 1.00 0.00 C ATOM 119 CZ2 TRP A 10 9.208 -6.789 -8.806 1.00 0.00 C ATOM 120 CZ3 TRP A 10 10.016 -5.277 -7.113 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.946 -6.552 -7.684 1.00 0.00 C ATOM 0 H TRP A 10 6.783 0.170 -8.748 1.00 0.00 H new ATOM 0 HA TRP A 10 5.300 -2.090 -9.393 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.441 -1.632 -10.446 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.276 -1.656 -8.906 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.605 -4.063 -11.405 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.505 -6.450 -11.075 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.396 -3.231 -7.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.156 -7.774 -9.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.612 -5.125 -6.225 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.488 -7.366 -7.226 1.00 0.00 H new ATOM 132 N THR A 11 6.856 -2.248 -6.486 1.00 0.00 N ATOM 133 CA THR A 11 6.920 -3.000 -5.258 1.00 0.00 C ATOM 134 C THR A 11 5.562 -3.029 -4.562 1.00 0.00 C ATOM 135 O THR A 11 5.131 -4.074 -4.050 1.00 0.00 O ATOM 136 CB THR A 11 8.010 -2.463 -4.316 1.00 0.00 C ATOM 137 OG1 THR A 11 9.281 -2.417 -5.008 1.00 0.00 O ATOM 138 CG2 THR A 11 8.133 -3.371 -3.118 1.00 0.00 C ATOM 0 H THR A 11 7.467 -1.432 -6.520 1.00 0.00 H new ATOM 0 HA THR A 11 7.190 -4.023 -5.518 1.00 0.00 H new ATOM 0 HB THR A 11 7.737 -1.459 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.411 -3.249 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.906 -2.990 -2.450 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.181 -3.406 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.401 -4.375 -3.448 1.00 0.00 H new ATOM 146 N LEU A 12 4.878 -1.913 -4.610 1.00 0.00 N ATOM 147 CA LEU A 12 3.568 -1.805 -4.031 1.00 0.00 C ATOM 148 C LEU A 12 2.585 -2.724 -4.765 1.00 0.00 C ATOM 149 O LEU A 12 1.914 -3.555 -4.144 1.00 0.00 O ATOM 150 CB LEU A 12 3.065 -0.387 -4.149 1.00 0.00 C ATOM 151 CG LEU A 12 3.848 0.697 -3.434 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.139 2.032 -3.602 1.00 0.00 C ATOM 153 CD2 LEU A 12 4.035 0.353 -1.966 1.00 0.00 C ATOM 0 H LEU A 12 5.215 -1.057 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 12 3.636 -2.094 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.027 -0.131 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.040 -0.362 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 12 4.841 0.770 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.703 2.811 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.068 2.275 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.137 1.968 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.599 1.146 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.060 0.253 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.580 -0.587 -1.879 1.00 0.00 H new ATOM 165 N GLN A 13 2.529 -2.585 -6.108 1.00 0.00 N ATOM 166 CA GLN A 13 1.595 -3.363 -6.925 1.00 0.00 C ATOM 167 C GLN A 13 1.837 -4.847 -6.756 1.00 0.00 C ATOM 168 O GLN A 13 0.916 -5.589 -6.631 1.00 0.00 O ATOM 169 CB GLN A 13 1.641 -2.980 -8.427 1.00 0.00 C ATOM 170 CG GLN A 13 2.939 -3.306 -9.123 1.00 0.00 C ATOM 171 CD GLN A 13 2.938 -3.019 -10.607 1.00 0.00 C ATOM 172 OE1 GLN A 13 3.962 -2.630 -11.165 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.865 -3.331 -11.278 1.00 0.00 N ATOM 0 H GLN A 13 3.119 -1.944 -6.639 1.00 0.00 H new ATOM 0 HA GLN A 13 0.596 -3.118 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.829 -3.493 -8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.453 -1.910 -8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.742 -2.736 -8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.165 -4.361 -8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.031 -3.651 -10.786 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.860 -3.255 -12.295 1.00 0.00 H new ATOM 182 N THR A 14 3.094 -5.240 -6.680 1.00 0.00 N ATOM 183 CA THR A 14 3.466 -6.630 -6.555 1.00 0.00 C ATOM 184 C THR A 14 2.839 -7.265 -5.301 1.00 0.00 C ATOM 185 O THR A 14 2.340 -8.375 -5.349 1.00 0.00 O ATOM 186 CB THR A 14 5.001 -6.778 -6.548 1.00 0.00 C ATOM 187 OG1 THR A 14 5.529 -6.090 -7.684 1.00 0.00 O ATOM 188 CG2 THR A 14 5.401 -8.222 -6.681 1.00 0.00 C ATOM 0 H THR A 14 3.887 -4.599 -6.704 1.00 0.00 H new ATOM 0 HA THR A 14 3.076 -7.166 -7.420 1.00 0.00 H new ATOM 0 HB THR A 14 5.381 -6.374 -5.610 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.747 -5.168 -7.435 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.488 -8.301 -6.674 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.990 -8.792 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.015 -8.622 -7.619 1.00 0.00 H new ATOM 196 N LEU A 15 2.807 -6.517 -4.213 1.00 0.00 N ATOM 197 CA LEU A 15 2.206 -6.995 -2.977 1.00 0.00 C ATOM 198 C LEU A 15 0.687 -7.006 -3.115 1.00 0.00 C ATOM 199 O LEU A 15 0.023 -8.005 -2.839 1.00 0.00 O ATOM 200 CB LEU A 15 2.586 -6.071 -1.828 1.00 0.00 C ATOM 201 CG LEU A 15 4.074 -5.954 -1.513 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.313 -4.790 -0.579 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.583 -7.237 -0.875 1.00 0.00 C ATOM 0 H LEU A 15 3.191 -5.573 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 15 2.568 -8.003 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.205 -5.074 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.073 -6.415 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 15 4.615 -5.786 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.378 -4.713 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.973 -3.869 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.761 -4.948 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.646 -7.138 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.038 -7.424 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.430 -8.070 -1.561 1.00 0.00 H new ATOM 215 N LEU A 16 0.152 -5.907 -3.594 1.00 0.00 N ATOM 216 CA LEU A 16 -1.287 -5.730 -3.727 1.00 0.00 C ATOM 217 C LEU A 16 -1.894 -6.605 -4.847 1.00 0.00 C ATOM 218 O LEU A 16 -3.097 -6.786 -4.927 1.00 0.00 O ATOM 219 CB LEU A 16 -1.655 -4.241 -3.896 1.00 0.00 C ATOM 220 CG LEU A 16 -1.664 -3.345 -2.624 1.00 0.00 C ATOM 221 CD1 LEU A 16 -0.377 -3.401 -1.844 1.00 0.00 C ATOM 222 CD2 LEU A 16 -1.960 -1.921 -2.998 1.00 0.00 C ATOM 0 H LEU A 16 0.699 -5.104 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.735 -6.077 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.957 -3.803 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.646 -4.190 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.447 -3.741 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.452 -2.753 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.191 -4.425 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.446 -3.065 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.964 -1.302 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.195 -1.559 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.936 -1.867 -3.480 1.00 0.00 H new ATOM 234 N GLU A 17 -1.064 -7.121 -5.722 1.00 0.00 N ATOM 235 CA GLU A 17 -1.520 -8.052 -6.734 1.00 0.00 C ATOM 236 C GLU A 17 -1.543 -9.467 -6.187 1.00 0.00 C ATOM 237 O GLU A 17 -2.136 -10.366 -6.777 1.00 0.00 O ATOM 238 CB GLU A 17 -0.719 -7.943 -8.037 1.00 0.00 C ATOM 239 CG GLU A 17 -0.999 -6.639 -8.790 1.00 0.00 C ATOM 240 CD GLU A 17 -0.349 -6.583 -10.145 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.754 -7.360 -11.039 1.00 0.00 O ATOM 242 OE2 GLU A 17 0.546 -5.743 -10.371 1.00 0.00 O ATOM 0 H GLU A 17 -0.066 -6.913 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.543 -7.780 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.346 -8.007 -7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.961 -8.789 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.076 -6.519 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.647 -5.799 -8.191 1.00 0.00 H new ATOM 249 N GLN A 18 -0.931 -9.644 -5.038 1.00 0.00 N ATOM 250 CA GLN A 18 -0.940 -10.910 -4.342 1.00 0.00 C ATOM 251 C GLN A 18 -2.041 -10.894 -3.287 1.00 0.00 C ATOM 252 O GLN A 18 -2.804 -11.856 -3.141 1.00 0.00 O ATOM 253 CB GLN A 18 0.418 -11.169 -3.707 1.00 0.00 C ATOM 254 CG GLN A 18 1.530 -11.310 -4.721 1.00 0.00 C ATOM 255 CD GLN A 18 2.894 -11.458 -4.094 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.046 -12.009 -3.004 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.890 -10.953 -4.765 1.00 0.00 N ATOM 0 H GLN A 18 -0.410 -8.910 -4.558 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.139 -11.716 -5.048 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.656 -10.351 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.364 -12.077 -3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.331 -12.178 -5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.530 -10.437 -5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.723 -10.504 -5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.837 -11.007 -4.390 1.00 0.00 H new ATOM 266 N LEU A 19 -2.139 -9.800 -2.561 1.00 0.00 N ATOM 267 CA LEU A 19 -3.185 -9.637 -1.579 1.00 0.00 C ATOM 268 C LEU A 19 -4.271 -8.766 -2.207 1.00 0.00 C ATOM 269 O LEU A 19 -4.019 -7.638 -2.564 1.00 0.00 O ATOM 270 CB LEU A 19 -2.620 -8.964 -0.292 1.00 0.00 C ATOM 271 CG LEU A 19 -2.450 -7.432 -0.311 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.577 -6.733 0.415 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.105 -6.973 0.159 1.00 0.00 C ATOM 0 H LEU A 19 -1.502 -9.007 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.594 -10.605 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.278 -9.220 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.648 -9.408 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.506 -7.140 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.420 -5.655 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.525 -6.978 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.600 -7.062 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.057 -5.885 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.945 -7.305 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.332 -7.394 -0.484 1.00 0.00 H new ATOM 285 N ASN A 20 -5.436 -9.303 -2.437 1.00 0.00 N ATOM 286 CA ASN A 20 -6.515 -8.485 -2.993 1.00 0.00 C ATOM 287 C ASN A 20 -7.897 -9.049 -2.814 1.00 0.00 C ATOM 288 O ASN A 20 -8.675 -8.417 -2.131 1.00 0.00 O ATOM 289 CB ASN A 20 -6.253 -7.981 -4.433 1.00 0.00 C ATOM 290 CG ASN A 20 -5.833 -9.066 -5.370 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.647 -9.681 -6.060 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.566 -9.345 -5.345 1.00 0.00 N ATOM 0 H ASN A 20 -5.675 -10.278 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.496 -7.596 -2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.158 -7.509 -4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.480 -7.213 -4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.200 -10.107 -5.916 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.936 -8.802 -4.754 1.00 0.00 H new ATOM 299 N GLU A 21 -8.149 -10.290 -3.313 1.00 0.00 N ATOM 300 CA GLU A 21 -9.514 -10.942 -3.358 1.00 0.00 C ATOM 301 C GLU A 21 -10.451 -10.462 -2.291 1.00 0.00 C ATOM 302 O GLU A 21 -11.370 -9.697 -2.561 1.00 0.00 O ATOM 303 CB GLU A 21 -9.377 -12.433 -3.271 1.00 0.00 C ATOM 304 CG GLU A 21 -8.724 -13.002 -4.464 1.00 0.00 C ATOM 305 CD GLU A 21 -9.599 -12.972 -5.699 1.00 0.00 C ATOM 306 OE1 GLU A 21 -9.675 -11.920 -6.378 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.220 -13.995 -6.020 1.00 0.00 O ATOM 0 H GLU A 21 -7.414 -10.881 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.953 -10.652 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.799 -12.692 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.364 -12.881 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.806 -12.450 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.437 -14.033 -4.256 1.00 0.00 H new ATOM 314 N ASP A 22 -10.227 -10.886 -1.081 1.00 0.00 N ATOM 315 CA ASP A 22 -10.977 -10.334 0.006 1.00 0.00 C ATOM 316 C ASP A 22 -10.026 -9.690 0.979 1.00 0.00 C ATOM 317 O ASP A 22 -10.412 -9.122 1.996 1.00 0.00 O ATOM 318 CB ASP A 22 -11.884 -11.349 0.698 1.00 0.00 C ATOM 319 CG ASP A 22 -13.116 -11.696 -0.104 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.053 -12.604 -0.971 1.00 0.00 O ATOM 321 OD2 ASP A 22 -14.178 -11.068 0.113 1.00 0.00 O ATOM 0 H ASP A 22 -9.544 -11.599 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.654 -9.584 -0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.317 -12.260 0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.189 -10.952 1.666 1.00 0.00 H new ATOM 326 N GLU A 23 -8.791 -9.712 0.577 1.00 0.00 N ATOM 327 CA GLU A 23 -7.647 -9.297 1.368 1.00 0.00 C ATOM 328 C GLU A 23 -7.568 -7.787 1.403 1.00 0.00 C ATOM 329 O GLU A 23 -7.270 -7.179 2.429 1.00 0.00 O ATOM 330 CB GLU A 23 -6.373 -9.793 0.684 1.00 0.00 C ATOM 331 CG GLU A 23 -6.486 -11.160 0.009 1.00 0.00 C ATOM 332 CD GLU A 23 -6.833 -12.282 0.952 1.00 0.00 C ATOM 333 OE1 GLU A 23 -5.915 -12.846 1.574 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.020 -12.626 1.061 1.00 0.00 O ATOM 0 H GLU A 23 -8.530 -10.034 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.748 -9.700 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.073 -9.060 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.575 -9.837 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.245 -11.107 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.540 -11.391 -0.482 1.00 0.00 H new ATOM 341 N LEU A 24 -7.871 -7.184 0.269 1.00 0.00 N ATOM 342 CA LEU A 24 -7.719 -5.757 0.083 1.00 0.00 C ATOM 343 C LEU A 24 -8.745 -5.033 0.912 1.00 0.00 C ATOM 344 O LEU A 24 -8.514 -3.944 1.391 1.00 0.00 O ATOM 345 CB LEU A 24 -7.916 -5.405 -1.383 1.00 0.00 C ATOM 346 CG LEU A 24 -7.086 -4.252 -1.916 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.602 -4.605 -1.888 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.515 -3.901 -3.317 1.00 0.00 C ATOM 0 H LEU A 24 -8.230 -7.673 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.718 -5.458 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.695 -6.290 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.969 -5.170 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.247 -3.385 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.021 -3.767 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.298 -4.816 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.425 -5.484 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.911 -3.072 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.380 -4.766 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.566 -3.611 -3.314 1.00 0.00 H new ATOM 360 N LYS A 25 -9.853 -5.694 1.106 1.00 0.00 N ATOM 361 CA LYS A 25 -10.978 -5.185 1.857 1.00 0.00 C ATOM 362 C LYS A 25 -10.571 -4.931 3.313 1.00 0.00 C ATOM 363 O LYS A 25 -11.002 -3.961 3.923 1.00 0.00 O ATOM 364 CB LYS A 25 -12.123 -6.187 1.714 1.00 0.00 C ATOM 365 CG LYS A 25 -12.486 -6.375 0.236 1.00 0.00 C ATOM 366 CD LYS A 25 -13.310 -7.613 -0.056 1.00 0.00 C ATOM 367 CE LYS A 25 -14.675 -7.564 0.564 1.00 0.00 C ATOM 368 NZ LYS A 25 -15.521 -8.671 0.087 1.00 0.00 N ATOM 0 H LYS A 25 -10.007 -6.632 0.736 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.315 -4.222 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.834 -7.144 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.994 -5.835 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.037 -5.498 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.567 -6.420 -0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.410 -7.731 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.780 -8.491 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.586 -7.614 1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.150 -6.612 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.212 -8.921 0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.023 -8.377 -0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.925 -9.497 -0.124 1.00 0.00 H new ATOM 382 N SER A 26 -9.701 -5.772 3.828 1.00 0.00 N ATOM 383 CA SER A 26 -9.144 -5.607 5.118 1.00 0.00 C ATOM 384 C SER A 26 -8.140 -4.453 5.108 1.00 0.00 C ATOM 385 O SER A 26 -8.226 -3.521 5.913 1.00 0.00 O ATOM 386 CB SER A 26 -8.431 -6.879 5.432 1.00 0.00 C ATOM 387 OG SER A 26 -9.335 -7.973 5.448 1.00 0.00 O ATOM 0 H SER A 26 -9.366 -6.601 3.338 1.00 0.00 H new ATOM 0 HA SER A 26 -9.915 -5.383 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.651 -7.057 4.691 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.938 -6.795 6.400 1.00 0.00 H new ATOM 0 HG SER A 26 -8.847 -8.798 5.654 1.00 0.00 H new ATOM 393 N PHE A 27 -7.224 -4.534 4.159 1.00 0.00 N ATOM 394 CA PHE A 27 -6.141 -3.580 3.951 1.00 0.00 C ATOM 395 C PHE A 27 -6.674 -2.125 3.885 1.00 0.00 C ATOM 396 O PHE A 27 -6.128 -1.230 4.539 1.00 0.00 O ATOM 397 CB PHE A 27 -5.428 -3.989 2.647 1.00 0.00 C ATOM 398 CG PHE A 27 -4.218 -3.180 2.234 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.350 -2.020 1.490 1.00 0.00 C ATOM 400 CD2 PHE A 27 -2.946 -3.603 2.574 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.239 -1.296 1.102 1.00 0.00 C ATOM 402 CE2 PHE A 27 -1.831 -2.887 2.186 1.00 0.00 C ATOM 403 CZ PHE A 27 -1.977 -1.731 1.450 1.00 0.00 C ATOM 0 H PHE A 27 -7.211 -5.297 3.482 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.442 -3.601 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.121 -5.030 2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.156 -3.945 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.335 -1.676 1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.823 -4.507 3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.359 -0.390 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.845 -3.233 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.107 -1.168 1.147 1.00 0.00 H new ATOM 413 N LYS A 28 -7.757 -1.920 3.124 1.00 0.00 N ATOM 414 CA LYS A 28 -8.390 -0.595 2.975 1.00 0.00 C ATOM 415 C LYS A 28 -8.852 -0.060 4.330 1.00 0.00 C ATOM 416 O LYS A 28 -8.575 1.081 4.684 1.00 0.00 O ATOM 417 CB LYS A 28 -9.600 -0.669 2.026 1.00 0.00 C ATOM 418 CG LYS A 28 -9.279 -1.161 0.623 1.00 0.00 C ATOM 419 CD LYS A 28 -10.533 -1.279 -0.232 1.00 0.00 C ATOM 420 CE LYS A 28 -10.235 -1.994 -1.542 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.400 -2.018 -2.454 1.00 0.00 N ATOM 0 H LYS A 28 -8.220 -2.660 2.596 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.644 0.079 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.349 -1.328 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.050 0.321 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.578 -0.475 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.786 -2.131 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.302 -1.823 0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.932 -0.286 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.399 -1.501 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.922 -3.017 -1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.362 -2.874 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.278 -2.021 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.381 -1.176 -3.064 1.00 0.00 H new ATOM 435 N SER A 29 -9.528 -0.908 5.081 1.00 0.00 N ATOM 436 CA SER A 29 -10.047 -0.586 6.360 1.00 0.00 C ATOM 437 C SER A 29 -8.945 -0.241 7.345 1.00 0.00 C ATOM 438 O SER A 29 -9.001 0.769 8.018 1.00 0.00 O ATOM 439 CB SER A 29 -10.775 -1.790 6.843 1.00 0.00 C ATOM 440 OG SER A 29 -11.947 -2.050 6.100 1.00 0.00 O ATOM 0 H SER A 29 -9.728 -1.866 4.792 1.00 0.00 H new ATOM 0 HA SER A 29 -10.697 0.286 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.115 -2.656 6.788 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.037 -1.655 7.892 1.00 0.00 H new ATOM 0 HG SER A 29 -11.736 -2.651 5.356 1.00 0.00 H new ATOM 446 N LEU A 30 -7.966 -1.095 7.410 1.00 0.00 N ATOM 447 CA LEU A 30 -6.824 -0.934 8.293 1.00 0.00 C ATOM 448 C LEU A 30 -6.077 0.372 8.041 1.00 0.00 C ATOM 449 O LEU A 30 -5.652 1.040 8.984 1.00 0.00 O ATOM 450 CB LEU A 30 -5.904 -2.131 8.155 1.00 0.00 C ATOM 451 CG LEU A 30 -6.513 -3.466 8.580 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.628 -4.604 8.146 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.709 -3.510 10.088 1.00 0.00 C ATOM 0 H LEU A 30 -7.928 -1.943 6.844 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.192 -0.881 9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.587 -2.208 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.008 -1.952 8.749 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.486 -3.567 8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.073 -5.550 8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.523 -4.590 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.646 -4.498 8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.144 -4.469 10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.746 -3.388 10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.378 -2.705 10.392 1.00 0.00 H new ATOM 465 N LEU A 31 -5.971 0.777 6.787 1.00 0.00 N ATOM 466 CA LEU A 31 -5.284 2.018 6.480 1.00 0.00 C ATOM 467 C LEU A 31 -6.227 3.207 6.717 1.00 0.00 C ATOM 468 O LEU A 31 -5.829 4.347 6.689 1.00 0.00 O ATOM 469 CB LEU A 31 -4.681 1.986 5.046 1.00 0.00 C ATOM 470 CG LEU A 31 -5.599 2.262 3.843 1.00 0.00 C ATOM 471 CD1 LEU A 31 -5.618 3.740 3.519 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.157 1.467 2.632 1.00 0.00 C ATOM 0 H LEU A 31 -6.344 0.276 5.980 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.436 2.141 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.870 2.713 5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.234 1.003 4.899 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.608 1.948 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.272 3.917 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.987 4.297 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.608 4.073 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.822 1.679 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.138 1.746 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.193 0.402 2.863 1.00 0.00 H new ATOM 484 N TRP A 32 -7.472 2.916 6.970 1.00 0.00 N ATOM 485 CA TRP A 32 -8.425 3.942 7.294 1.00 0.00 C ATOM 486 C TRP A 32 -8.612 3.980 8.803 1.00 0.00 C ATOM 487 O TRP A 32 -9.359 4.796 9.344 1.00 0.00 O ATOM 488 CB TRP A 32 -9.765 3.642 6.638 1.00 0.00 C ATOM 489 CG TRP A 32 -10.337 4.833 5.965 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.404 5.588 6.344 1.00 0.00 C ATOM 491 CD2 TRP A 32 -9.826 5.412 4.788 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.591 6.605 5.436 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.629 6.512 4.467 1.00 0.00 C ATOM 494 CE3 TRP A 32 -8.765 5.082 3.971 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.396 7.299 3.345 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.520 5.859 2.853 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.335 6.958 2.546 1.00 0.00 C ATOM 0 H TRP A 32 -7.853 1.970 6.958 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.056 4.901 6.931 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.640 2.840 5.910 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.465 3.282 7.392 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.010 5.416 7.221 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.325 7.312 5.478 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.137 4.233 4.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.025 8.145 3.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.689 5.616 2.207 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.123 7.546 1.665 1.00 0.00 H new ATOM 508 N ALA A 33 -7.952 3.060 9.477 1.00 0.00 N ATOM 509 CA ALA A 33 -8.076 2.909 10.908 1.00 0.00 C ATOM 510 C ALA A 33 -7.048 3.737 11.641 1.00 0.00 C ATOM 511 O ALA A 33 -7.228 4.059 12.823 1.00 0.00 O ATOM 512 CB ALA A 33 -7.973 1.447 11.302 1.00 0.00 C ATOM 0 H ALA A 33 -7.312 2.394 9.043 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.061 3.275 11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.069 1.354 12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.770 0.883 10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.006 1.053 10.988 1.00 0.00 H new ATOM 518 N PHE A 34 -5.970 4.074 10.966 1.00 0.00 N ATOM 519 CA PHE A 34 -4.975 4.916 11.557 1.00 0.00 C ATOM 520 C PHE A 34 -5.377 6.367 11.234 1.00 0.00 C ATOM 521 O PHE A 34 -6.094 6.590 10.251 1.00 0.00 O ATOM 522 CB PHE A 34 -3.544 4.564 11.014 1.00 0.00 C ATOM 523 CG PHE A 34 -3.172 5.169 9.679 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.649 6.451 9.613 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.350 4.474 8.512 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.323 7.023 8.413 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.023 5.047 7.298 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.515 6.322 7.257 1.00 0.00 C ATOM 0 H PHE A 34 -5.769 3.775 10.012 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.925 4.771 12.636 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.809 4.884 11.752 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.465 3.480 10.934 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.496 7.009 10.525 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.749 3.471 8.541 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.916 8.023 8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.167 4.493 6.382 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.266 6.772 6.307 1.00 0.00 H new ATOM 672 N THR A 43 -7.176 10.917 0.009 1.00 0.00 N ATOM 673 CA THR A 43 -7.255 9.601 -0.613 1.00 0.00 C ATOM 674 C THR A 43 -8.704 9.194 -0.926 1.00 0.00 C ATOM 675 O THR A 43 -9.521 8.994 -0.021 1.00 0.00 O ATOM 676 CB THR A 43 -6.571 8.537 0.257 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.260 9.009 0.632 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.415 7.255 -0.527 1.00 0.00 C ATOM 0 HA THR A 43 -6.723 9.667 -1.562 1.00 0.00 H new ATOM 0 HB THR A 43 -7.179 8.353 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.321 9.940 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.929 6.504 0.096 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.397 6.893 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.806 7.441 -1.412 1.00 0.00 H new ATOM 686 N PRO A 44 -9.036 9.125 -2.222 1.00 0.00 N ATOM 687 CA PRO A 44 -10.383 8.840 -2.671 1.00 0.00 C ATOM 688 C PRO A 44 -10.804 7.403 -2.396 1.00 0.00 C ATOM 689 O PRO A 44 -10.437 6.487 -3.134 1.00 0.00 O ATOM 690 CB PRO A 44 -10.329 9.116 -4.182 1.00 0.00 C ATOM 691 CG PRO A 44 -8.893 8.941 -4.557 1.00 0.00 C ATOM 692 CD PRO A 44 -8.099 9.339 -3.357 1.00 0.00 C ATOM 0 HA PRO A 44 -11.120 9.447 -2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.967 8.425 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.677 10.123 -4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.686 7.908 -4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.637 9.560 -5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.200 8.731 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.776 10.378 -3.418 1.00 0.00 H new ATOM 700 N TRP A 45 -11.559 7.202 -1.329 1.00 0.00 N ATOM 701 CA TRP A 45 -12.047 5.878 -0.981 1.00 0.00 C ATOM 702 C TRP A 45 -12.970 5.369 -2.083 1.00 0.00 C ATOM 703 O TRP A 45 -12.971 4.194 -2.399 1.00 0.00 O ATOM 704 CB TRP A 45 -12.763 5.871 0.393 1.00 0.00 C ATOM 705 CG TRP A 45 -13.336 4.519 0.779 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.475 3.956 0.293 1.00 0.00 C ATOM 707 CD2 TRP A 45 -12.812 3.576 1.725 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.672 2.729 0.830 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.684 2.468 1.727 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.702 3.549 2.559 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.476 1.352 2.529 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.496 2.440 3.359 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.379 1.357 3.338 1.00 0.00 C ATOM 0 H TRP A 45 -11.848 7.941 -0.687 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.191 5.208 -0.893 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.058 6.189 1.161 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.569 6.605 0.376 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.133 4.424 -0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.440 2.100 0.598 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.012 4.379 2.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.157 0.514 2.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.637 2.410 4.012 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.188 0.507 3.976 1.00 0.00 H new ATOM 724 N SER A 46 -13.712 6.272 -2.684 1.00 0.00 N ATOM 725 CA SER A 46 -14.599 5.943 -3.787 1.00 0.00 C ATOM 726 C SER A 46 -13.808 5.285 -4.945 1.00 0.00 C ATOM 727 O SER A 46 -14.322 4.419 -5.666 1.00 0.00 O ATOM 728 CB SER A 46 -15.278 7.220 -4.237 1.00 0.00 C ATOM 729 OG SER A 46 -15.862 7.879 -3.114 1.00 0.00 O ATOM 0 H SER A 46 -13.720 7.258 -2.424 1.00 0.00 H new ATOM 0 HA SER A 46 -15.351 5.222 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.554 7.877 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.046 6.993 -4.977 1.00 0.00 H new ATOM 0 HG SER A 46 -16.298 8.705 -3.410 1.00 0.00 H new ATOM 735 N GLU A 47 -12.548 5.677 -5.081 1.00 0.00 N ATOM 736 CA GLU A 47 -11.670 5.086 -6.057 1.00 0.00 C ATOM 737 C GLU A 47 -11.083 3.808 -5.524 1.00 0.00 C ATOM 738 O GLU A 47 -11.053 2.810 -6.231 1.00 0.00 O ATOM 739 CB GLU A 47 -10.559 6.047 -6.457 1.00 0.00 C ATOM 740 CG GLU A 47 -11.044 7.210 -7.288 1.00 0.00 C ATOM 741 CD GLU A 47 -11.587 6.752 -8.615 1.00 0.00 C ATOM 742 OE1 GLU A 47 -12.785 6.427 -8.713 1.00 0.00 O ATOM 743 OE2 GLU A 47 -10.817 6.695 -9.592 1.00 0.00 O ATOM 0 H GLU A 47 -12.117 6.410 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.260 4.864 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.077 6.429 -5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.800 5.501 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.819 7.749 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.224 7.909 -7.451 1.00 0.00 H new ATOM 750 N VAL A 48 -10.657 3.823 -4.245 1.00 0.00 N ATOM 751 CA VAL A 48 -10.041 2.641 -3.626 1.00 0.00 C ATOM 752 C VAL A 48 -11.030 1.473 -3.610 1.00 0.00 C ATOM 753 O VAL A 48 -10.632 0.321 -3.671 1.00 0.00 O ATOM 754 CB VAL A 48 -9.493 2.881 -2.160 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.704 4.154 -2.024 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.541 2.731 -1.066 1.00 0.00 C ATOM 0 H VAL A 48 -10.729 4.633 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.175 2.409 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.792 2.062 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.357 4.259 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.846 4.124 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.336 5.003 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.081 2.912 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.342 3.452 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.951 1.721 -1.091 1.00 0.00 H new ATOM 766 N GLU A 49 -12.322 1.793 -3.528 1.00 0.00 N ATOM 767 CA GLU A 49 -13.375 0.832 -3.528 1.00 0.00 C ATOM 768 C GLU A 49 -13.358 -0.036 -4.751 1.00 0.00 C ATOM 769 O GLU A 49 -13.330 -1.259 -4.648 1.00 0.00 O ATOM 770 CB GLU A 49 -14.725 1.506 -3.395 1.00 0.00 C ATOM 771 CG GLU A 49 -15.235 1.545 -2.014 1.00 0.00 C ATOM 772 CD GLU A 49 -16.680 1.947 -1.934 1.00 0.00 C ATOM 773 OE1 GLU A 49 -16.988 3.151 -1.928 1.00 0.00 O ATOM 774 OE2 GLU A 49 -17.538 1.042 -1.853 1.00 0.00 O ATOM 0 H GLU A 49 -12.651 2.756 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.207 0.190 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.651 2.525 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.445 0.983 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.111 0.562 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.636 2.244 -1.431 1.00 0.00 H new ATOM 781 N GLU A 50 -13.316 0.577 -5.892 1.00 0.00 N ATOM 782 CA GLU A 50 -13.398 -0.162 -7.119 1.00 0.00 C ATOM 783 C GLU A 50 -12.015 -0.410 -7.718 1.00 0.00 C ATOM 784 O GLU A 50 -11.876 -0.765 -8.880 1.00 0.00 O ATOM 785 CB GLU A 50 -14.308 0.543 -8.103 1.00 0.00 C ATOM 786 CG GLU A 50 -15.747 0.665 -7.616 1.00 0.00 C ATOM 787 CD GLU A 50 -16.675 1.225 -8.658 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.829 2.461 -8.740 1.00 0.00 O ATOM 789 OE2 GLU A 50 -17.270 0.430 -9.426 1.00 0.00 O ATOM 0 H GLU A 50 -13.225 1.587 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.829 -1.138 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.914 1.540 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.297 0.002 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.105 -0.318 -7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.773 1.304 -6.733 1.00 0.00 H new ATOM 796 N ALA A 51 -11.018 -0.232 -6.910 1.00 0.00 N ATOM 797 CA ALA A 51 -9.645 -0.448 -7.293 1.00 0.00 C ATOM 798 C ALA A 51 -9.101 -1.659 -6.604 1.00 0.00 C ATOM 799 O ALA A 51 -9.334 -1.868 -5.410 1.00 0.00 O ATOM 800 CB ALA A 51 -8.809 0.745 -6.926 1.00 0.00 C ATOM 0 H ALA A 51 -11.131 0.074 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.609 -0.597 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.774 0.569 -7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.188 1.627 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.857 0.906 -5.849 1.00 0.00 H new ATOM 806 N ASP A 52 -8.376 -2.447 -7.340 1.00 0.00 N ATOM 807 CA ASP A 52 -7.762 -3.614 -6.789 1.00 0.00 C ATOM 808 C ASP A 52 -6.315 -3.630 -7.174 1.00 0.00 C ATOM 809 O ASP A 52 -5.945 -3.040 -8.197 1.00 0.00 O ATOM 810 CB ASP A 52 -8.441 -4.923 -7.245 1.00 0.00 C ATOM 811 CG ASP A 52 -8.103 -5.378 -8.666 1.00 0.00 C ATOM 812 OD1 ASP A 52 -7.117 -6.137 -8.858 1.00 0.00 O ATOM 813 OD2 ASP A 52 -8.829 -5.019 -9.613 1.00 0.00 O ATOM 0 H ASP A 52 -8.195 -2.299 -8.333 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.874 -3.565 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.163 -5.717 -6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.521 -4.797 -7.169 1.00 0.00 H new ATOM 818 N GLY A 53 -5.506 -4.224 -6.316 1.00 0.00 N ATOM 819 CA GLY A 53 -4.099 -4.442 -6.571 1.00 0.00 C ATOM 820 C GLY A 53 -3.322 -3.208 -6.984 1.00 0.00 C ATOM 821 O GLY A 53 -3.114 -2.285 -6.183 1.00 0.00 O ATOM 0 H GLY A 53 -5.816 -4.573 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.642 -4.856 -5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.000 -5.194 -7.354 1.00 0.00 H new ATOM 825 N LYS A 54 -2.941 -3.182 -8.258 1.00 0.00 N ATOM 826 CA LYS A 54 -2.140 -2.119 -8.834 1.00 0.00 C ATOM 827 C LYS A 54 -2.872 -0.820 -8.744 1.00 0.00 C ATOM 828 O LYS A 54 -2.273 0.211 -8.483 1.00 0.00 O ATOM 829 CB LYS A 54 -1.847 -2.370 -10.305 1.00 0.00 C ATOM 830 CG LYS A 54 -0.745 -1.465 -10.833 1.00 0.00 C ATOM 831 CD LYS A 54 -1.054 -0.844 -12.177 1.00 0.00 C ATOM 832 CE LYS A 54 -2.003 0.318 -12.001 1.00 0.00 C ATOM 833 NZ LYS A 54 -2.202 1.078 -13.246 1.00 0.00 N ATOM 0 H LYS A 54 -3.187 -3.913 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.206 -2.088 -8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.557 -3.412 -10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.755 -2.212 -10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.563 -0.670 -10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.177 -2.040 -10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.133 -0.504 -12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.496 -1.589 -12.838 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.965 -0.053 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.617 0.985 -11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.501 2.047 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.311 1.108 -13.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.935 0.616 -13.821 1.00 0.00 H new ATOM 847 N LYS A 55 -4.173 -0.863 -8.952 1.00 0.00 N ATOM 848 CA LYS A 55 -4.950 0.343 -8.916 1.00 0.00 C ATOM 849 C LYS A 55 -4.929 0.968 -7.555 1.00 0.00 C ATOM 850 O LYS A 55 -4.825 2.167 -7.435 1.00 0.00 O ATOM 851 CB LYS A 55 -6.381 0.165 -9.409 1.00 0.00 C ATOM 852 CG LYS A 55 -6.542 0.160 -10.913 1.00 0.00 C ATOM 853 CD LYS A 55 -6.055 1.473 -11.556 1.00 0.00 C ATOM 854 CE LYS A 55 -6.891 2.692 -11.145 1.00 0.00 C ATOM 855 NZ LYS A 55 -8.224 2.695 -11.771 1.00 0.00 N ATOM 0 H LYS A 55 -4.702 -1.713 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.468 1.021 -9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.772 -0.773 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.994 0.966 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.984 -0.677 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.591 0.002 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.015 1.643 -11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.082 1.371 -12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.002 2.704 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.360 3.603 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.750 3.537 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.122 2.710 -12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.743 1.840 -11.487 1.00 0.00 H new ATOM 869 N LEU A 56 -4.981 0.148 -6.536 1.00 0.00 N ATOM 870 CA LEU A 56 -4.930 0.652 -5.193 1.00 0.00 C ATOM 871 C LEU A 56 -3.554 1.258 -4.918 1.00 0.00 C ATOM 872 O LEU A 56 -3.449 2.324 -4.333 1.00 0.00 O ATOM 873 CB LEU A 56 -5.266 -0.427 -4.174 1.00 0.00 C ATOM 874 CG LEU A 56 -5.363 0.071 -2.722 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.466 1.099 -2.569 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.580 -1.066 -1.775 1.00 0.00 C ATOM 0 H LEU A 56 -5.058 -0.866 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.686 1.431 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.215 -0.887 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.507 -1.207 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.414 0.547 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.511 1.433 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.261 1.952 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.420 0.653 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.645 -0.684 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.507 -1.579 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.747 -1.765 -1.848 1.00 0.00 H new ATOM 888 N ALA A 57 -2.506 0.591 -5.403 1.00 0.00 N ATOM 889 CA ALA A 57 -1.129 1.086 -5.272 1.00 0.00 C ATOM 890 C ALA A 57 -0.998 2.466 -5.942 1.00 0.00 C ATOM 891 O ALA A 57 -0.329 3.372 -5.428 1.00 0.00 O ATOM 892 CB ALA A 57 -0.160 0.103 -5.919 1.00 0.00 C ATOM 0 H ALA A 57 -2.583 -0.300 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.887 1.181 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.859 0.477 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.242 -0.866 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.403 -0.006 -6.976 1.00 0.00 H new ATOM 898 N GLU A 58 -1.704 2.617 -7.056 1.00 0.00 N ATOM 899 CA GLU A 58 -1.734 3.838 -7.861 1.00 0.00 C ATOM 900 C GLU A 58 -2.436 4.968 -7.080 1.00 0.00 C ATOM 901 O GLU A 58 -2.168 6.165 -7.281 1.00 0.00 O ATOM 902 CB GLU A 58 -2.462 3.525 -9.188 1.00 0.00 C ATOM 903 CG GLU A 58 -2.495 4.633 -10.225 1.00 0.00 C ATOM 904 CD GLU A 58 -3.282 4.230 -11.462 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.728 3.535 -12.344 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.469 4.581 -11.565 1.00 0.00 O ATOM 0 H GLU A 58 -2.289 1.874 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.722 4.178 -8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.989 2.652 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.490 3.246 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.940 5.527 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.476 4.892 -10.512 1.00 0.00 H new ATOM 913 N ILE A 59 -3.316 4.583 -6.189 1.00 0.00 N ATOM 914 CA ILE A 59 -4.005 5.517 -5.337 1.00 0.00 C ATOM 915 C ILE A 59 -3.131 5.846 -4.104 1.00 0.00 C ATOM 916 O ILE A 59 -3.092 6.988 -3.656 1.00 0.00 O ATOM 917 CB ILE A 59 -5.393 4.958 -4.941 1.00 0.00 C ATOM 918 CG1 ILE A 59 -6.207 4.718 -6.219 1.00 0.00 C ATOM 919 CG2 ILE A 59 -6.125 5.943 -4.037 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.326 3.736 -6.072 1.00 0.00 C ATOM 0 H ILE A 59 -3.575 3.609 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.177 6.449 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.268 4.022 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.619 5.670 -6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.534 4.367 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.099 5.535 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.540 6.111 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.260 6.888 -4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.845 3.630 -7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.924 2.769 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.025 4.092 -5.316 1.00 0.00 H new ATOM 932 N LEU A 60 -2.395 4.850 -3.595 1.00 0.00 N ATOM 933 CA LEU A 60 -1.448 5.078 -2.483 1.00 0.00 C ATOM 934 C LEU A 60 -0.354 6.063 -2.879 1.00 0.00 C ATOM 935 O LEU A 60 -0.026 6.978 -2.123 1.00 0.00 O ATOM 936 CB LEU A 60 -0.785 3.772 -1.962 1.00 0.00 C ATOM 937 CG LEU A 60 -1.493 2.989 -0.830 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.683 3.853 0.411 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.805 2.391 -1.279 1.00 0.00 C ATOM 0 H LEU A 60 -2.432 3.886 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.049 5.494 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.669 3.097 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.217 4.024 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.836 2.160 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.183 3.272 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.711 4.184 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.291 4.722 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.262 1.852 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.474 3.186 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.627 1.702 -2.105 1.00 0.00 H new ATOM 951 N VAL A 61 0.184 5.903 -4.087 1.00 0.00 N ATOM 952 CA VAL A 61 1.271 6.765 -4.561 1.00 0.00 C ATOM 953 C VAL A 61 0.744 8.183 -4.896 1.00 0.00 C ATOM 954 O VAL A 61 1.504 9.144 -5.019 1.00 0.00 O ATOM 955 CB VAL A 61 2.014 6.112 -5.778 1.00 0.00 C ATOM 956 CG1 VAL A 61 1.113 5.971 -6.981 1.00 0.00 C ATOM 957 CG2 VAL A 61 3.293 6.845 -6.149 1.00 0.00 C ATOM 0 H VAL A 61 -0.111 5.190 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 61 2.000 6.872 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 61 2.299 5.113 -5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.669 5.514 -7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.261 5.342 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.758 6.955 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.764 6.348 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.057 7.875 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.976 6.838 -5.299 1.00 0.00 H new ATOM 967 N ASN A 62 -0.567 8.300 -4.985 1.00 0.00 N ATOM 968 CA ASN A 62 -1.227 9.570 -5.272 1.00 0.00 C ATOM 969 C ASN A 62 -1.097 10.501 -4.076 1.00 0.00 C ATOM 970 O ASN A 62 -0.821 11.691 -4.231 1.00 0.00 O ATOM 971 CB ASN A 62 -2.720 9.313 -5.618 1.00 0.00 C ATOM 972 CG ASN A 62 -3.569 10.544 -5.971 1.00 0.00 C ATOM 973 OD1 ASN A 62 -3.367 11.660 -5.487 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.534 10.333 -6.812 1.00 0.00 N ATOM 0 H ASN A 62 -1.210 7.518 -4.861 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.750 10.047 -6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.760 8.620 -6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.184 8.812 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.147 11.100 -7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.679 9.400 -7.198 1.00 0.00 H new ATOM 981 N THR A 63 -1.243 9.962 -2.893 1.00 0.00 N ATOM 982 CA THR A 63 -1.220 10.785 -1.717 1.00 0.00 C ATOM 983 C THR A 63 0.059 10.635 -0.897 1.00 0.00 C ATOM 984 O THR A 63 0.565 11.608 -0.342 1.00 0.00 O ATOM 985 CB THR A 63 -2.452 10.498 -0.837 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.575 9.084 -0.610 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.710 11.013 -1.505 1.00 0.00 C ATOM 0 H THR A 63 -1.378 8.966 -2.721 1.00 0.00 H new ATOM 0 HA THR A 63 -1.247 11.818 -2.065 1.00 0.00 H new ATOM 0 HB THR A 63 -2.322 11.009 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.439 8.894 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.571 10.802 -0.871 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.626 12.089 -1.658 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.839 10.519 -2.468 1.00 0.00 H new ATOM 995 N SER A 64 0.597 9.454 -0.847 1.00 0.00 N ATOM 996 CA SER A 64 1.696 9.193 0.029 1.00 0.00 C ATOM 997 C SER A 64 3.049 9.117 -0.701 1.00 0.00 C ATOM 998 O SER A 64 3.132 8.717 -1.876 1.00 0.00 O ATOM 999 CB SER A 64 1.409 7.901 0.742 1.00 0.00 C ATOM 1000 OG SER A 64 0.120 7.932 1.316 1.00 0.00 O ATOM 0 H SER A 64 0.292 8.656 -1.404 1.00 0.00 H new ATOM 0 HA SER A 64 1.788 10.023 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.483 7.068 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.156 7.733 1.518 1.00 0.00 H new ATOM 0 HG SER A 64 0.116 7.400 2.139 1.00 0.00 H new ATOM 1006 N SER A 65 4.092 9.512 0.002 1.00 0.00 N ATOM 1007 CA SER A 65 5.450 9.442 -0.480 1.00 0.00 C ATOM 1008 C SER A 65 5.964 8.012 -0.312 1.00 0.00 C ATOM 1009 O SER A 65 5.504 7.290 0.576 1.00 0.00 O ATOM 1010 CB SER A 65 6.330 10.424 0.327 1.00 0.00 C ATOM 1011 OG SER A 65 7.708 10.308 -0.017 1.00 0.00 O ATOM 0 H SER A 65 4.013 9.898 0.943 1.00 0.00 H new ATOM 0 HA SER A 65 5.489 9.717 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.995 11.445 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.204 10.232 1.393 1.00 0.00 H new ATOM 0 HG SER A 65 8.232 10.945 0.512 1.00 0.00 H new ATOM 1017 N GLU A 66 6.916 7.612 -1.148 1.00 0.00 N ATOM 1018 CA GLU A 66 7.508 6.272 -1.104 1.00 0.00 C ATOM 1019 C GLU A 66 8.026 5.907 0.290 1.00 0.00 C ATOM 1020 O GLU A 66 7.785 4.805 0.788 1.00 0.00 O ATOM 1021 CB GLU A 66 8.646 6.144 -2.123 1.00 0.00 C ATOM 1022 CG GLU A 66 9.737 7.186 -2.001 1.00 0.00 C ATOM 1023 CD GLU A 66 10.911 6.858 -2.860 1.00 0.00 C ATOM 1024 OE1 GLU A 66 11.803 6.146 -2.389 1.00 0.00 O ATOM 1025 OE2 GLU A 66 10.972 7.295 -4.012 1.00 0.00 O ATOM 0 H GLU A 66 7.303 8.208 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 66 6.710 5.574 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.095 5.156 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.223 6.199 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.341 8.162 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.056 7.259 -0.961 1.00 0.00 H new ATOM 1032 N ASN A 67 8.660 6.868 0.942 1.00 0.00 N ATOM 1033 CA ASN A 67 9.280 6.641 2.243 1.00 0.00 C ATOM 1034 C ASN A 67 8.207 6.488 3.332 1.00 0.00 C ATOM 1035 O ASN A 67 8.464 5.975 4.415 1.00 0.00 O ATOM 1036 CB ASN A 67 10.260 7.791 2.570 1.00 0.00 C ATOM 1037 CG ASN A 67 11.109 7.526 3.803 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.408 6.389 4.121 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.509 8.563 4.491 1.00 0.00 N ATOM 0 H ASN A 67 8.761 7.820 0.591 1.00 0.00 H new ATOM 0 HA ASN A 67 9.849 5.712 2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.915 7.955 1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.694 8.710 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.089 8.432 5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.242 9.503 4.199 1.00 0.00 H new ATOM 1046 N TRP A 68 7.006 6.898 3.006 1.00 0.00 N ATOM 1047 CA TRP A 68 5.884 6.801 3.900 1.00 0.00 C ATOM 1048 C TRP A 68 5.190 5.458 3.665 1.00 0.00 C ATOM 1049 O TRP A 68 4.976 4.675 4.601 1.00 0.00 O ATOM 1050 CB TRP A 68 4.912 7.950 3.605 1.00 0.00 C ATOM 1051 CG TRP A 68 3.763 8.073 4.558 1.00 0.00 C ATOM 1052 CD1 TRP A 68 3.693 8.905 5.619 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.525 7.345 4.540 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.479 8.776 6.243 1.00 0.00 N ATOM 1055 CE2 TRP A 68 1.754 7.814 5.608 1.00 0.00 C ATOM 1056 CE3 TRP A 68 1.996 6.350 3.721 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.489 7.323 5.877 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.747 5.865 3.989 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.005 6.347 5.051 1.00 0.00 C ATOM 0 H TRP A 68 6.780 7.313 2.102 1.00 0.00 H new ATOM 0 HA TRP A 68 6.213 6.867 4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.469 8.887 3.610 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.516 7.820 2.598 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.480 9.576 5.931 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.169 9.314 7.052 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.565 5.968 2.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.093 7.696 6.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.332 5.091 3.360 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.980 5.943 5.232 1.00 0.00 H new ATOM 1070 N ILE A 69 4.891 5.177 2.387 1.00 0.00 N ATOM 1071 CA ILE A 69 4.136 3.977 1.994 1.00 0.00 C ATOM 1072 C ILE A 69 4.869 2.721 2.403 1.00 0.00 C ATOM 1073 O ILE A 69 4.245 1.741 2.811 1.00 0.00 O ATOM 1074 CB ILE A 69 3.872 3.898 0.464 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.311 5.206 -0.055 1.00 0.00 C ATOM 1076 CG2 ILE A 69 2.859 2.787 0.184 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.179 5.267 -1.562 1.00 0.00 C ATOM 0 H ILE A 69 5.163 5.770 1.603 1.00 0.00 H new ATOM 0 HA ILE A 69 3.179 4.054 2.510 1.00 0.00 H new ATOM 0 HB ILE A 69 4.817 3.692 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.331 5.371 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.954 6.022 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.671 2.728 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.257 1.835 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.927 3.005 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.771 6.235 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.160 5.135 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.511 4.475 -1.901 1.00 0.00 H new ATOM 1089 N ARG A 70 6.189 2.761 2.324 1.00 0.00 N ATOM 1090 CA ARG A 70 7.001 1.608 2.661 1.00 0.00 C ATOM 1091 C ARG A 70 6.787 1.167 4.112 1.00 0.00 C ATOM 1092 O ARG A 70 6.808 -0.015 4.408 1.00 0.00 O ATOM 1093 CB ARG A 70 8.479 1.848 2.363 1.00 0.00 C ATOM 1094 CG ARG A 70 9.192 2.851 3.241 1.00 0.00 C ATOM 1095 CD ARG A 70 10.644 2.920 2.839 1.00 0.00 C ATOM 1096 NE ARG A 70 11.456 3.724 3.744 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.565 3.288 4.344 1.00 0.00 C ATOM 1098 NH1 ARG A 70 12.864 1.992 4.343 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.348 4.138 4.986 1.00 0.00 N ATOM 0 H ARG A 70 6.719 3.581 2.029 1.00 0.00 H new ATOM 0 HA ARG A 70 6.671 0.790 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.002 0.895 2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.569 2.177 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.728 3.833 3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.106 2.561 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.051 1.910 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.716 3.334 1.833 1.00 0.00 H new ATOM 0 HE ARG A 70 11.157 4.681 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.244 1.326 3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.713 1.664 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.104 5.128 5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.196 3.804 5.445 1.00 0.00 H new ATOM 1113 N ASN A 71 6.546 2.127 4.993 1.00 0.00 N ATOM 1114 CA ASN A 71 6.260 1.827 6.393 1.00 0.00 C ATOM 1115 C ASN A 71 4.835 1.347 6.488 1.00 0.00 C ATOM 1116 O ASN A 71 4.543 0.306 7.083 1.00 0.00 O ATOM 1117 CB ASN A 71 6.432 3.092 7.270 1.00 0.00 C ATOM 1118 CG ASN A 71 6.104 2.864 8.756 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.969 2.494 9.541 1.00 0.00 O ATOM 1120 ND2 ASN A 71 4.863 3.109 9.153 1.00 0.00 N ATOM 0 H ASN A 71 6.542 3.121 4.766 1.00 0.00 H new ATOM 0 HA ASN A 71 6.952 1.065 6.750 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.459 3.446 7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.789 3.882 6.882 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.608 2.991 10.134 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.163 3.416 8.478 1.00 0.00 H new ATOM 1127 N ALA A 72 3.965 2.096 5.828 1.00 0.00 N ATOM 1128 CA ALA A 72 2.537 1.872 5.840 1.00 0.00 C ATOM 1129 C ALA A 72 2.156 0.470 5.412 1.00 0.00 C ATOM 1130 O ALA A 72 1.550 -0.257 6.177 1.00 0.00 O ATOM 1131 CB ALA A 72 1.847 2.875 4.957 1.00 0.00 C ATOM 0 H ALA A 72 4.244 2.894 5.257 1.00 0.00 H new ATOM 0 HA ALA A 72 2.211 1.994 6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.772 2.696 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.053 3.882 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.215 2.775 3.936 1.00 0.00 H new ATOM 1137 N THR A 73 2.562 0.076 4.213 1.00 0.00 N ATOM 1138 CA THR A 73 2.156 -1.202 3.656 1.00 0.00 C ATOM 1139 C THR A 73 2.648 -2.380 4.499 1.00 0.00 C ATOM 1140 O THR A 73 1.949 -3.377 4.615 1.00 0.00 O ATOM 1141 CB THR A 73 2.557 -1.369 2.150 1.00 0.00 C ATOM 1142 OG1 THR A 73 2.004 -2.580 1.621 1.00 0.00 O ATOM 1143 CG2 THR A 73 4.078 -1.388 1.959 1.00 0.00 C ATOM 0 H THR A 73 3.173 0.625 3.608 1.00 0.00 H new ATOM 0 HA THR A 73 1.067 -1.207 3.689 1.00 0.00 H new ATOM 0 HB THR A 73 2.156 -0.508 1.615 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.260 -2.673 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.310 -1.505 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.502 -0.452 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.505 -2.220 2.519 1.00 0.00 H new ATOM 1151 N VAL A 74 3.819 -2.248 5.109 1.00 0.00 N ATOM 1152 CA VAL A 74 4.327 -3.298 5.966 1.00 0.00 C ATOM 1153 C VAL A 74 3.470 -3.373 7.220 1.00 0.00 C ATOM 1154 O VAL A 74 2.943 -4.415 7.542 1.00 0.00 O ATOM 1155 CB VAL A 74 5.824 -3.092 6.331 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.297 -4.144 7.326 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.680 -3.157 5.077 1.00 0.00 C ATOM 0 H VAL A 74 4.425 -1.432 5.025 1.00 0.00 H new ATOM 0 HA VAL A 74 4.271 -4.240 5.421 1.00 0.00 H new ATOM 0 HB VAL A 74 5.925 -2.110 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.347 -3.975 7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.704 -4.075 8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.179 -5.136 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.727 -3.012 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.558 -4.131 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.370 -2.375 4.384 1.00 0.00 H new ATOM 1167 N ASN A 75 3.276 -2.228 7.853 1.00 0.00 N ATOM 1168 CA ASN A 75 2.461 -2.099 9.075 1.00 0.00 C ATOM 1169 C ASN A 75 1.045 -2.640 8.855 1.00 0.00 C ATOM 1170 O ASN A 75 0.511 -3.357 9.705 1.00 0.00 O ATOM 1171 CB ASN A 75 2.414 -0.622 9.488 1.00 0.00 C ATOM 1172 CG ASN A 75 1.565 -0.302 10.723 1.00 0.00 C ATOM 1173 OD1 ASN A 75 1.009 0.797 10.819 1.00 0.00 O ATOM 1174 ND2 ASN A 75 1.493 -1.197 11.679 1.00 0.00 N ATOM 0 H ASN A 75 3.679 -1.345 7.539 1.00 0.00 H new ATOM 0 HA ASN A 75 2.916 -2.689 9.870 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.433 -0.283 9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.033 -0.041 8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.968 -0.994 12.529 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.962 -2.096 11.572 1.00 0.00 H new ATOM 1181 N ILE A 76 0.458 -2.319 7.713 1.00 0.00 N ATOM 1182 CA ILE A 76 -0.875 -2.816 7.390 1.00 0.00 C ATOM 1183 C ILE A 76 -0.851 -4.349 7.255 1.00 0.00 C ATOM 1184 O ILE A 76 -1.733 -5.040 7.777 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.466 -2.198 6.086 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.428 -0.654 6.106 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -2.901 -2.674 5.885 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.224 0.009 7.213 1.00 0.00 C ATOM 0 H ILE A 76 0.876 -1.723 6.999 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.521 -2.512 8.214 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.845 -2.535 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.389 -0.336 6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.797 -0.287 5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.305 -2.237 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.916 -3.761 5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.509 -2.365 6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.127 1.092 7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.274 -0.269 7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.844 -0.318 8.181 1.00 0.00 H new ATOM 1200 N LEU A 77 0.177 -4.890 6.600 1.00 0.00 N ATOM 1201 CA LEU A 77 0.256 -6.338 6.429 1.00 0.00 C ATOM 1202 C LEU A 77 0.551 -7.022 7.754 1.00 0.00 C ATOM 1203 O LEU A 77 0.066 -8.120 8.014 1.00 0.00 O ATOM 1204 CB LEU A 77 1.261 -6.767 5.355 1.00 0.00 C ATOM 1205 CG LEU A 77 1.037 -6.193 3.963 1.00 0.00 C ATOM 1206 CD1 LEU A 77 1.927 -6.833 2.919 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -0.422 -6.169 3.544 1.00 0.00 C ATOM 0 H LEU A 77 0.947 -4.362 6.189 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.723 -6.660 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.260 -6.484 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.245 -7.855 5.285 1.00 0.00 H new ATOM 0 HG LEU A 77 1.338 -5.148 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.725 -6.386 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.972 -6.671 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.725 -7.903 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.506 -5.748 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.818 -7.185 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.991 -5.557 4.244 1.00 0.00 H new ATOM 1219 N GLU A 78 1.326 -6.348 8.598 1.00 0.00 N ATOM 1220 CA GLU A 78 1.618 -6.808 9.958 1.00 0.00 C ATOM 1221 C GLU A 78 0.326 -6.923 10.753 1.00 0.00 C ATOM 1222 O GLU A 78 0.140 -7.854 11.540 1.00 0.00 O ATOM 1223 CB GLU A 78 2.574 -5.828 10.675 1.00 0.00 C ATOM 1224 CG GLU A 78 3.968 -5.741 10.081 1.00 0.00 C ATOM 1225 CD GLU A 78 4.688 -7.060 10.053 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.446 -7.859 9.160 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.551 -7.311 10.919 1.00 0.00 O ATOM 0 H GLU A 78 1.773 -5.463 8.360 1.00 0.00 H new ATOM 0 HA GLU A 78 2.099 -7.784 9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.127 -4.834 10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.659 -6.126 11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.898 -5.352 9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.556 -5.026 10.657 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.586 -5.998 10.504 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.855 -5.971 11.188 1.00 0.00 C ATOM 1236 C GLU A 79 -2.744 -7.108 10.658 1.00 0.00 C ATOM 1237 O GLU A 79 -3.580 -7.661 11.375 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.535 -4.614 10.986 1.00 0.00 C ATOM 1239 CG GLU A 79 -3.528 -4.270 12.076 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.857 -4.169 13.427 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.671 -5.215 14.102 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -2.489 -3.050 13.838 1.00 0.00 O ATOM 0 H GLU A 79 -0.462 -5.249 9.823 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.695 -6.115 12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.772 -3.837 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.048 -4.613 10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.016 -3.324 11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.308 -5.031 12.112 1.00 0.00 H new ATOM 1249 N MET A 80 -2.512 -7.487 9.408 1.00 0.00 N ATOM 1250 CA MET A 80 -3.238 -8.594 8.774 1.00 0.00 C ATOM 1251 C MET A 80 -2.585 -9.930 9.124 1.00 0.00 C ATOM 1252 O MET A 80 -3.078 -10.993 8.739 1.00 0.00 O ATOM 1253 CB MET A 80 -3.268 -8.448 7.243 1.00 0.00 C ATOM 1254 CG MET A 80 -4.004 -7.226 6.733 1.00 0.00 C ATOM 1255 SD MET A 80 -4.039 -7.102 4.927 1.00 0.00 S ATOM 1256 CE MET A 80 -4.964 -8.576 4.494 1.00 0.00 C ATOM 0 H MET A 80 -1.821 -7.043 8.803 1.00 0.00 H new ATOM 0 HA MET A 80 -4.260 -8.565 9.152 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.242 -8.416 6.876 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.732 -9.338 6.817 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.028 -7.246 7.107 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.533 -6.332 7.141 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.327 -8.490 3.470 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.317 -9.449 4.578 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.811 -8.686 5.171 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.460 -9.851 9.835 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.653 -11.011 10.270 1.00 0.00 C ATOM 1268 C ASN A 81 -0.028 -11.698 9.043 1.00 0.00 C ATOM 1269 O ASN A 81 0.223 -12.902 9.013 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.497 -11.990 11.133 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.668 -12.972 11.936 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.196 -12.662 13.029 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -0.551 -14.153 11.465 1.00 0.00 N ATOM 0 H ASN A 81 -1.067 -8.959 10.136 1.00 0.00 H new ATOM 0 HA ASN A 81 0.160 -10.664 10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.120 -11.412 11.816 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.170 -12.546 10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.056 -14.868 11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.953 -14.382 10.556 1.00 0.00 H new ATOM 1280 N LEU A 82 0.243 -10.897 8.045 1.00 0.00 N ATOM 1281 CA LEU A 82 0.862 -11.336 6.830 1.00 0.00 C ATOM 1282 C LEU A 82 2.355 -11.485 7.006 1.00 0.00 C ATOM 1283 O LEU A 82 3.010 -10.631 7.571 1.00 0.00 O ATOM 1284 CB LEU A 82 0.529 -10.362 5.693 1.00 0.00 C ATOM 1285 CG LEU A 82 -0.765 -10.652 4.935 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.220 -9.447 4.139 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -0.491 -11.736 3.970 1.00 0.00 C ATOM 0 H LEU A 82 0.033 -9.899 8.059 1.00 0.00 H new ATOM 0 HA LEU A 82 0.467 -12.318 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.469 -9.355 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.355 -10.366 4.982 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.538 -10.918 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.143 -9.687 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.395 -8.610 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.450 -9.176 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.399 -11.965 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.289 -11.418 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.160 -12.625 4.506 1.00 0.00 H new ATOM 1299 N THR A 83 2.869 -12.585 6.559 1.00 0.00 N ATOM 1300 CA THR A 83 4.276 -12.848 6.599 1.00 0.00 C ATOM 1301 C THR A 83 4.787 -13.034 5.204 1.00 0.00 C ATOM 1302 O THR A 83 5.594 -12.257 4.733 1.00 0.00 O ATOM 1303 CB THR A 83 4.592 -14.102 7.429 1.00 0.00 C ATOM 1304 OG1 THR A 83 3.579 -15.107 7.218 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.726 -13.780 8.890 1.00 0.00 C ATOM 0 H THR A 83 2.317 -13.339 6.149 1.00 0.00 H new ATOM 0 HA THR A 83 4.766 -11.997 7.071 1.00 0.00 H new ATOM 0 HB THR A 83 5.552 -14.493 7.093 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.791 -15.902 7.750 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.949 -14.691 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.534 -13.062 9.032 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.792 -13.353 9.256 1.00 0.00 H new ATOM 1313 N GLU A 84 4.207 -14.006 4.534 1.00 0.00 N ATOM 1314 CA GLU A 84 4.570 -14.455 3.196 1.00 0.00 C ATOM 1315 C GLU A 84 4.957 -13.316 2.238 1.00 0.00 C ATOM 1316 O GLU A 84 6.106 -13.230 1.820 1.00 0.00 O ATOM 1317 CB GLU A 84 3.462 -15.357 2.601 1.00 0.00 C ATOM 1318 CG GLU A 84 2.011 -14.868 2.827 1.00 0.00 C ATOM 1319 CD GLU A 84 1.442 -15.218 4.190 1.00 0.00 C ATOM 1320 OE1 GLU A 84 0.879 -16.319 4.347 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.516 -14.392 5.121 1.00 0.00 O ATOM 0 H GLU A 84 3.428 -14.536 4.924 1.00 0.00 H new ATOM 0 HA GLU A 84 5.478 -15.048 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.632 -15.452 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.561 -16.355 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.980 -13.786 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.370 -15.298 2.057 1.00 0.00 H new ATOM 1328 N LEU A 85 4.042 -12.434 1.922 1.00 0.00 N ATOM 1329 CA LEU A 85 4.382 -11.334 1.052 1.00 0.00 C ATOM 1330 C LEU A 85 4.842 -10.107 1.830 1.00 0.00 C ATOM 1331 O LEU A 85 5.469 -9.231 1.278 1.00 0.00 O ATOM 1332 CB LEU A 85 3.258 -10.967 0.084 1.00 0.00 C ATOM 1333 CG LEU A 85 1.898 -10.638 0.685 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.225 -9.597 -0.155 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.024 -11.881 0.710 1.00 0.00 C ATOM 0 H LEU A 85 3.075 -12.453 2.246 1.00 0.00 H new ATOM 0 HA LEU A 85 5.220 -11.688 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.585 -10.108 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.128 -11.796 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 85 2.040 -10.271 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.251 -9.359 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.840 -8.697 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.094 -9.976 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.054 -11.635 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.886 -12.249 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.504 -12.652 1.313 1.00 0.00 H new ATOM 1347 N CYS A 86 4.583 -10.064 3.114 1.00 0.00 N ATOM 1348 CA CYS A 86 4.991 -8.909 3.910 1.00 0.00 C ATOM 1349 C CYS A 86 6.512 -8.898 4.040 1.00 0.00 C ATOM 1350 O CYS A 86 7.145 -7.856 4.051 1.00 0.00 O ATOM 1351 CB CYS A 86 4.351 -8.948 5.275 1.00 0.00 C ATOM 1352 SG CYS A 86 4.672 -7.493 6.292 1.00 0.00 S ATOM 0 H CYS A 86 4.100 -10.797 3.633 1.00 0.00 H new ATOM 0 HA CYS A 86 4.662 -7.999 3.409 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.274 -9.061 5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.707 -9.832 5.804 1.00 0.00 H new ATOM 0 HG CYS A 86 4.178 -7.677 7.480 1.00 0.00 H new ATOM 1358 N LYS A 87 7.084 -10.079 4.074 1.00 0.00 N ATOM 1359 CA LYS A 87 8.522 -10.264 4.115 1.00 0.00 C ATOM 1360 C LYS A 87 9.155 -9.811 2.812 1.00 0.00 C ATOM 1361 O LYS A 87 10.328 -9.435 2.774 1.00 0.00 O ATOM 1362 CB LYS A 87 8.822 -11.721 4.388 1.00 0.00 C ATOM 1363 CG LYS A 87 8.507 -12.144 5.819 1.00 0.00 C ATOM 1364 CD LYS A 87 8.341 -13.650 5.945 1.00 0.00 C ATOM 1365 CE LYS A 87 9.491 -14.392 5.320 1.00 0.00 C ATOM 1366 NZ LYS A 87 9.372 -15.851 5.485 1.00 0.00 N ATOM 0 H LYS A 87 6.559 -10.953 4.074 1.00 0.00 H new ATOM 0 HA LYS A 87 8.947 -9.656 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.246 -12.339 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.875 -11.912 4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.307 -11.811 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.594 -11.650 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.263 -13.920 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.409 -13.954 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.541 -14.152 4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.425 -14.053 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.187 -16.318 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.351 -16.085 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.494 -16.181 5.035 1.00 0.00 H new ATOM 1380 N MET A 88 8.363 -9.816 1.754 1.00 0.00 N ATOM 1381 CA MET A 88 8.799 -9.351 0.470 1.00 0.00 C ATOM 1382 C MET A 88 8.854 -7.843 0.534 1.00 0.00 C ATOM 1383 O MET A 88 9.766 -7.226 0.045 1.00 0.00 O ATOM 1384 CB MET A 88 7.813 -9.799 -0.599 1.00 0.00 C ATOM 1385 CG MET A 88 8.229 -9.486 -2.018 1.00 0.00 C ATOM 1386 SD MET A 88 9.765 -10.303 -2.489 1.00 0.00 S ATOM 1387 CE MET A 88 9.887 -9.810 -4.208 1.00 0.00 C ATOM 0 H MET A 88 7.398 -10.146 1.772 1.00 0.00 H new ATOM 0 HA MET A 88 9.779 -9.757 0.218 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.665 -10.875 -0.508 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.850 -9.327 -0.405 1.00 0.00 H new ATOM 0 HG2 MET A 88 7.436 -9.791 -2.700 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.347 -8.408 -2.128 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.934 -9.662 -4.471 1.00 0.00 H new ATOM 0 HE2 MET A 88 9.461 -10.588 -4.841 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.340 -8.879 -4.359 1.00 0.00 H new ATOM 1397 N ALA A 89 7.885 -7.266 1.208 1.00 0.00 N ATOM 1398 CA ALA A 89 7.827 -5.830 1.400 1.00 0.00 C ATOM 1399 C ALA A 89 8.966 -5.365 2.302 1.00 0.00 C ATOM 1400 O ALA A 89 9.579 -4.332 2.066 1.00 0.00 O ATOM 1401 CB ALA A 89 6.502 -5.441 1.987 1.00 0.00 C ATOM 0 H ALA A 89 7.114 -7.776 1.639 1.00 0.00 H new ATOM 0 HA ALA A 89 7.937 -5.344 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.469 -4.361 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.702 -5.744 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.371 -5.936 2.949 1.00 0.00 H new ATOM 1407 N LYS A 90 9.258 -6.160 3.318 1.00 0.00 N ATOM 1408 CA LYS A 90 10.364 -5.891 4.247 1.00 0.00 C ATOM 1409 C LYS A 90 11.720 -6.006 3.543 1.00 0.00 C ATOM 1410 O LYS A 90 12.733 -5.526 4.039 1.00 0.00 O ATOM 1411 CB LYS A 90 10.298 -6.837 5.451 1.00 0.00 C ATOM 1412 CG LYS A 90 9.049 -6.646 6.294 1.00 0.00 C ATOM 1413 CD LYS A 90 8.959 -7.646 7.433 1.00 0.00 C ATOM 1414 CE LYS A 90 7.703 -7.399 8.249 1.00 0.00 C ATOM 1415 NZ LYS A 90 7.553 -8.336 9.381 1.00 0.00 N ATOM 0 H LYS A 90 8.740 -7.013 3.530 1.00 0.00 H new ATOM 0 HA LYS A 90 10.260 -4.867 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.336 -7.867 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.178 -6.681 6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.040 -5.635 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.168 -6.742 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.950 -8.661 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.839 -7.562 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.720 -6.378 8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.832 -7.482 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.010 -7.879 10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.051 -9.189 9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.493 -8.601 9.739 1.00 0.00 H new ATOM 1429 N ALA A 91 11.720 -6.649 2.403 1.00 0.00 N ATOM 1430 CA ALA A 91 12.904 -6.781 1.591 1.00 0.00 C ATOM 1431 C ALA A 91 12.970 -5.644 0.578 1.00 0.00 C ATOM 1432 O ALA A 91 13.883 -4.827 0.576 1.00 0.00 O ATOM 1433 CB ALA A 91 12.889 -8.135 0.875 1.00 0.00 C ATOM 0 H ALA A 91 10.894 -7.099 2.009 1.00 0.00 H new ATOM 0 HA ALA A 91 13.787 -6.729 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.785 -8.232 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.866 -8.937 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.006 -8.201 0.240 1.00 0.00 H new ATOM 1439 N GLU A 92 11.948 -5.583 -0.210 1.00 0.00 N ATOM 1440 CA GLU A 92 11.808 -4.681 -1.338 1.00 0.00 C ATOM 1441 C GLU A 92 11.485 -3.237 -0.947 1.00 0.00 C ATOM 1442 O GLU A 92 12.245 -2.319 -1.258 1.00 0.00 O ATOM 1443 CB GLU A 92 10.712 -5.232 -2.188 1.00 0.00 C ATOM 1444 CG GLU A 92 11.053 -6.547 -2.843 1.00 0.00 C ATOM 1445 CD GLU A 92 11.963 -6.391 -4.049 1.00 0.00 C ATOM 1446 OE1 GLU A 92 12.554 -5.306 -4.235 1.00 0.00 O ATOM 1447 OE2 GLU A 92 12.096 -7.333 -4.841 1.00 0.00 O ATOM 0 H GLU A 92 11.136 -6.189 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 92 12.764 -4.628 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.820 -5.362 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.464 -4.505 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.535 -7.196 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.132 -7.043 -3.151 1.00 0.00 H new ATOM 1454 N MET A 93 10.364 -3.033 -0.272 1.00 0.00 N ATOM 1455 CA MET A 93 9.939 -1.681 0.107 1.00 0.00 C ATOM 1456 C MET A 93 10.797 -1.103 1.204 1.00 0.00 C ATOM 1457 O MET A 93 10.890 0.109 1.366 1.00 0.00 O ATOM 1458 CB MET A 93 8.423 -1.572 0.404 1.00 0.00 C ATOM 1459 CG MET A 93 7.572 -0.985 -0.728 1.00 0.00 C ATOM 1460 SD MET A 93 7.647 0.827 -0.923 1.00 0.00 S ATOM 1461 CE MET A 93 9.323 1.139 -1.504 1.00 0.00 C ATOM 0 H MET A 93 9.732 -3.776 0.026 1.00 0.00 H new ATOM 0 HA MET A 93 10.099 -1.058 -0.773 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.044 -2.566 0.643 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.288 -0.957 1.294 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.882 -1.445 -1.666 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.533 -1.270 -0.561 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.351 2.086 -2.044 1.00 0.00 H new ATOM 0 HE2 MET A 93 10.000 1.187 -0.652 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.634 0.333 -2.169 1.00 0.00 H new