USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 180:sc= -0.942 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.94,f=-2!) USER MOD Single : A 11 CYS SG : rot -165:sc= -7.74! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.163 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 32 SER OG : rot -160:sc= -0.783 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 44 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.3!) USER MOD Single : A 58 LYS NZ :NH3+ -121:sc=-0.000539 (180deg=-0.242) USER MOD Single : A 59 CYS SG : rot -78:sc= -0.0463 USER MOD Single : A 60 THR OG1 : rot 170:sc= -0.454 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.627 -4.101 -9.752 1.00 0.00 N ATOM 102 CA ASP A 7 91.079 -4.790 -8.502 1.00 0.00 C ATOM 103 C ASP A 7 90.163 -4.415 -7.333 1.00 0.00 C ATOM 104 O ASP A 7 89.966 -5.196 -6.419 1.00 0.00 O ATOM 105 CB ASP A 7 92.509 -4.299 -8.250 1.00 0.00 C ATOM 106 CG ASP A 7 93.425 -4.750 -9.393 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.149 -5.783 -9.983 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.389 -4.051 -9.660 1.00 0.00 O ATOM 0 HA ASP A 7 91.044 -5.875 -8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.521 -3.212 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.876 -4.692 -7.302 1.00 0.00 H new ATOM 113 N TRP A 8 89.605 -3.229 -7.358 1.00 0.00 N ATOM 114 CA TRP A 8 88.719 -2.788 -6.236 1.00 0.00 C ATOM 115 C TRP A 8 87.321 -3.406 -6.344 1.00 0.00 C ATOM 116 O TRP A 8 86.560 -3.366 -5.400 1.00 0.00 O ATOM 117 CB TRP A 8 88.633 -1.268 -6.339 1.00 0.00 C ATOM 118 CG TRP A 8 89.692 -0.557 -5.562 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.388 0.514 -6.012 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.188 -0.839 -4.218 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.288 0.917 -5.037 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.217 0.125 -3.912 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.861 -1.832 -3.219 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.906 0.112 -2.661 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.551 -1.849 -1.959 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.573 -0.879 -1.683 1.00 0.00 C ATOM 0 H TRP A 8 89.725 -2.547 -8.107 1.00 0.00 H new ATOM 0 HA TRP A 8 89.126 -3.110 -5.277 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.706 -0.978 -7.387 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.654 -0.943 -5.986 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.262 0.981 -6.978 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.926 1.706 -5.140 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.094 -2.565 -3.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.672 0.844 -2.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.300 -2.593 -1.218 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.092 -0.897 -0.736 1.00 0.00 H new ATOM 137 N ILE A 9 86.965 -3.983 -7.473 1.00 0.00 N ATOM 138 CA ILE A 9 85.549 -4.449 -7.668 1.00 0.00 C ATOM 139 C ILE A 9 85.142 -5.408 -6.534 1.00 0.00 C ATOM 140 O ILE A 9 85.870 -6.319 -6.183 1.00 0.00 O ATOM 141 CB ILE A 9 85.529 -5.164 -9.035 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.923 -4.188 -10.162 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.124 -5.714 -9.317 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.972 -2.983 -10.189 1.00 0.00 C ATOM 0 H ILE A 9 87.589 -4.150 -8.262 1.00 0.00 H new ATOM 0 HA ILE A 9 84.840 -3.621 -7.647 1.00 0.00 H new ATOM 0 HB ILE A 9 86.247 -5.983 -9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.947 -3.847 -10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.895 -4.702 -11.123 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.118 -6.217 -10.284 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.848 -6.423 -8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.408 -4.893 -9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.266 -2.305 -10.991 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.952 -3.328 -10.361 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.022 -2.459 -9.235 1.00 0.00 H new ATOM 156 N GLY A 10 83.979 -5.197 -5.970 1.00 0.00 N ATOM 157 CA GLY A 10 83.516 -6.042 -4.829 1.00 0.00 C ATOM 158 C GLY A 10 84.057 -5.536 -3.480 1.00 0.00 C ATOM 159 O GLY A 10 83.756 -6.116 -2.450 1.00 0.00 O ATOM 0 H GLY A 10 83.325 -4.468 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.426 -6.050 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.839 -7.071 -4.986 1.00 0.00 H new ATOM 163 N CYS A 11 84.847 -4.475 -3.456 1.00 0.00 N ATOM 164 CA CYS A 11 85.322 -3.931 -2.137 1.00 0.00 C ATOM 165 C CYS A 11 84.267 -2.982 -1.535 1.00 0.00 C ATOM 166 O CYS A 11 83.466 -2.410 -2.248 1.00 0.00 O ATOM 167 CB CYS A 11 86.687 -3.237 -2.416 1.00 0.00 C ATOM 168 SG CYS A 11 86.511 -1.567 -3.130 1.00 0.00 S ATOM 0 H CYS A 11 85.176 -3.972 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 11 85.460 -4.714 -1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.250 -3.170 -1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.270 -3.857 -3.097 1.00 0.00 H new ATOM 0 HG CYS A 11 87.649 -1.187 -3.630 1.00 0.00 H new ATOM 174 N ALA A 12 84.271 -2.821 -0.235 1.00 0.00 N ATOM 175 CA ALA A 12 83.222 -1.982 0.429 1.00 0.00 C ATOM 176 C ALA A 12 83.686 -0.525 0.515 1.00 0.00 C ATOM 177 O ALA A 12 84.705 -0.235 1.112 1.00 0.00 O ATOM 178 CB ALA A 12 83.074 -2.579 1.830 1.00 0.00 C ATOM 0 H ALA A 12 84.956 -3.235 0.397 1.00 0.00 H new ATOM 0 HA ALA A 12 82.280 -1.983 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.321 -2.020 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.767 -3.622 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.029 -2.521 2.353 1.00 0.00 H new ATOM 184 N VAL A 13 82.945 0.385 -0.073 1.00 0.00 N ATOM 185 CA VAL A 13 83.369 1.822 -0.064 1.00 0.00 C ATOM 186 C VAL A 13 82.177 2.738 0.233 1.00 0.00 C ATOM 187 O VAL A 13 81.031 2.347 0.093 1.00 0.00 O ATOM 188 CB VAL A 13 83.931 2.090 -1.466 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.129 1.176 -1.713 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.857 1.815 -2.526 1.00 0.00 C ATOM 0 H VAL A 13 82.068 0.195 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 13 84.110 2.021 0.710 1.00 0.00 H new ATOM 0 HB VAL A 13 84.240 3.133 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.531 1.364 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.899 1.376 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.814 0.135 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.266 2.008 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.540 0.774 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.000 2.467 -2.354 1.00 0.00 H new ATOM 200 N SER A 14 82.448 3.953 0.640 1.00 0.00 N ATOM 201 CA SER A 14 81.353 4.929 0.905 1.00 0.00 C ATOM 202 C SER A 14 81.609 6.211 0.117 1.00 0.00 C ATOM 203 O SER A 14 82.733 6.665 0.013 1.00 0.00 O ATOM 204 CB SER A 14 81.408 5.198 2.409 1.00 0.00 C ATOM 205 OG SER A 14 80.510 6.251 2.732 1.00 0.00 O ATOM 0 H SER A 14 83.390 4.311 0.801 1.00 0.00 H new ATOM 0 HA SER A 14 80.375 4.553 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.143 4.296 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.422 5.466 2.705 1.00 0.00 H new ATOM 0 HG SER A 14 80.542 6.424 3.696 1.00 0.00 H new ATOM 211 N ILE A 15 80.575 6.793 -0.435 1.00 0.00 N ATOM 212 CA ILE A 15 80.765 7.986 -1.316 1.00 0.00 C ATOM 213 C ILE A 15 80.028 9.187 -0.728 1.00 0.00 C ATOM 214 O ILE A 15 78.831 9.141 -0.509 1.00 0.00 O ATOM 215 CB ILE A 15 80.155 7.614 -2.684 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.644 6.229 -3.177 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.556 8.678 -3.709 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.175 6.145 -3.155 1.00 0.00 C ATOM 0 H ILE A 15 79.607 6.494 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 15 81.818 8.251 -1.408 1.00 0.00 H new ATOM 0 HB ILE A 15 79.072 7.567 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.224 5.446 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.281 6.051 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.131 8.426 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.181 9.650 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.642 8.716 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.491 5.162 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.591 6.914 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.533 6.299 -2.137 1.00 0.00 H new ATOM 230 N ALA A 16 80.739 10.257 -0.475 1.00 0.00 N ATOM 231 CA ALA A 16 80.087 11.494 0.045 1.00 0.00 C ATOM 232 C ALA A 16 79.886 12.489 -1.097 1.00 0.00 C ATOM 233 O ALA A 16 80.838 13.023 -1.637 1.00 0.00 O ATOM 234 CB ALA A 16 81.063 12.052 1.081 1.00 0.00 C ATOM 0 H ALA A 16 81.748 10.326 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 16 79.106 11.300 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.654 12.966 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.216 11.316 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.017 12.272 0.601 1.00 0.00 H new ATOM 240 N CYS A 17 78.657 12.733 -1.470 1.00 0.00 N ATOM 241 CA CYS A 17 78.366 13.751 -2.523 1.00 0.00 C ATOM 242 C CYS A 17 78.017 15.084 -1.859 1.00 0.00 C ATOM 243 O CYS A 17 77.773 15.140 -0.668 1.00 0.00 O ATOM 244 CB CYS A 17 77.162 13.218 -3.309 1.00 0.00 C ATOM 245 SG CYS A 17 77.540 11.590 -4.014 1.00 0.00 S ATOM 0 H CYS A 17 77.835 12.266 -1.087 1.00 0.00 H new ATOM 0 HA CYS A 17 79.221 13.916 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.294 13.145 -2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.902 13.915 -4.106 1.00 0.00 H new ATOM 0 HG CYS A 17 76.509 11.153 -4.674 1.00 0.00 H new ATOM 251 N ASP A 18 77.990 16.154 -2.616 1.00 0.00 N ATOM 252 CA ASP A 18 77.701 17.499 -2.017 1.00 0.00 C ATOM 253 C ASP A 18 76.322 17.484 -1.339 1.00 0.00 C ATOM 254 O ASP A 18 75.543 16.570 -1.522 1.00 0.00 O ATOM 255 CB ASP A 18 77.729 18.492 -3.182 1.00 0.00 C ATOM 256 CG ASP A 18 79.133 18.533 -3.798 1.00 0.00 C ATOM 257 OD1 ASP A 18 80.089 18.302 -3.073 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.228 18.797 -4.985 1.00 0.00 O ATOM 0 H ASP A 18 78.155 16.156 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 18 78.430 17.772 -1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 18 76.999 18.201 -3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.447 19.485 -2.832 1.00 0.00 H new ATOM 263 N GLU A 19 76.026 18.494 -0.559 1.00 0.00 N ATOM 264 CA GLU A 19 74.862 18.430 0.385 1.00 0.00 C ATOM 265 C GLU A 19 73.564 18.015 -0.322 1.00 0.00 C ATOM 266 O GLU A 19 72.737 17.329 0.252 1.00 0.00 O ATOM 267 CB GLU A 19 74.728 19.852 0.932 1.00 0.00 C ATOM 268 CG GLU A 19 74.013 19.800 2.277 1.00 0.00 C ATOM 269 CD GLU A 19 73.730 21.218 2.807 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.054 22.181 2.125 1.00 0.00 O ATOM 271 OE2 GLU A 19 73.190 21.316 3.897 1.00 0.00 O ATOM 0 H GLU A 19 76.546 19.371 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 19 75.029 17.684 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 19 75.712 20.306 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 19 74.169 20.474 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 19 73.076 19.253 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 19 74.623 19.254 2.996 1.00 0.00 H new ATOM 278 N VAL A 20 73.380 18.421 -1.555 1.00 0.00 N ATOM 279 CA VAL A 20 72.093 18.120 -2.263 1.00 0.00 C ATOM 280 C VAL A 20 72.047 16.642 -2.682 1.00 0.00 C ATOM 281 O VAL A 20 70.982 16.072 -2.840 1.00 0.00 O ATOM 282 CB VAL A 20 72.083 19.041 -3.492 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.804 18.813 -4.305 1.00 0.00 C ATOM 284 CG2 VAL A 20 72.135 20.502 -3.037 1.00 0.00 C ATOM 0 H VAL A 20 74.062 18.946 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 20 71.224 18.291 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 20 72.951 18.816 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.804 19.470 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.762 17.775 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.935 19.032 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 20 72.128 21.155 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.268 20.720 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 20 73.046 20.672 -2.464 1.00 0.00 H new ATOM 294 N LEU A 21 73.188 16.023 -2.862 1.00 0.00 N ATOM 295 CA LEU A 21 73.222 14.591 -3.290 1.00 0.00 C ATOM 296 C LEU A 21 73.249 13.638 -2.082 1.00 0.00 C ATOM 297 O LEU A 21 73.006 12.453 -2.223 1.00 0.00 O ATOM 298 CB LEU A 21 74.510 14.473 -4.096 1.00 0.00 C ATOM 299 CG LEU A 21 74.374 15.260 -5.401 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.754 15.428 -6.041 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.456 14.502 -6.365 1.00 0.00 C ATOM 0 H LEU A 21 74.104 16.452 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 21 72.336 14.316 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.350 14.854 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.721 13.426 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 21 73.947 16.240 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.658 15.989 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.409 15.968 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.179 14.447 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.360 15.064 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.881 13.521 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.472 14.381 -5.911 1.00 0.00 H new ATOM 313 N GLY A 22 73.543 14.140 -0.902 1.00 0.00 N ATOM 314 CA GLY A 22 73.586 13.260 0.309 1.00 0.00 C ATOM 315 C GLY A 22 74.719 12.236 0.183 1.00 0.00 C ATOM 316 O GLY A 22 75.694 12.453 -0.516 1.00 0.00 O ATOM 0 H GLY A 22 73.755 15.122 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.733 13.867 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.633 12.745 0.427 1.00 0.00 H new ATOM 320 N VAL A 23 74.597 11.120 0.862 1.00 0.00 N ATOM 321 CA VAL A 23 75.709 10.113 0.875 1.00 0.00 C ATOM 322 C VAL A 23 75.148 8.709 0.638 1.00 0.00 C ATOM 323 O VAL A 23 74.088 8.369 1.133 1.00 0.00 O ATOM 324 CB VAL A 23 76.331 10.200 2.277 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.538 9.258 2.359 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.790 11.635 2.562 1.00 0.00 C ATOM 0 H VAL A 23 73.775 10.862 1.408 1.00 0.00 H new ATOM 0 HA VAL A 23 76.442 10.311 0.093 1.00 0.00 H new ATOM 0 HB VAL A 23 75.584 9.910 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.980 9.319 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.215 8.235 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.278 9.550 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.229 11.685 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.533 11.933 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.934 12.308 2.508 1.00 0.00 H new ATOM 336 N PHE A 24 75.855 7.894 -0.110 1.00 0.00 N ATOM 337 CA PHE A 24 75.422 6.473 -0.288 1.00 0.00 C ATOM 338 C PHE A 24 76.602 5.525 -0.050 1.00 0.00 C ATOM 339 O PHE A 24 77.749 5.904 -0.177 1.00 0.00 O ATOM 340 CB PHE A 24 74.916 6.358 -1.733 1.00 0.00 C ATOM 341 CG PHE A 24 75.984 6.550 -2.789 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.730 5.419 -3.263 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.258 7.858 -3.314 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.747 5.596 -4.262 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.276 8.030 -4.309 1.00 0.00 C ATOM 346 CZ PHE A 24 78.018 6.902 -4.784 1.00 0.00 C ATOM 0 H PHE A 24 76.710 8.152 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 24 74.643 6.200 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.461 5.377 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.131 7.098 -1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.527 4.434 -2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.698 8.711 -2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.307 4.745 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.484 9.014 -4.702 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.782 7.036 -5.536 1.00 0.00 H new ATOM 356 N GLN A 25 76.317 4.296 0.294 1.00 0.00 N ATOM 357 CA GLN A 25 77.402 3.298 0.537 1.00 0.00 C ATOM 358 C GLN A 25 77.021 1.958 -0.095 1.00 0.00 C ATOM 359 O GLN A 25 75.854 1.614 -0.171 1.00 0.00 O ATOM 360 CB GLN A 25 77.494 3.174 2.060 1.00 0.00 C ATOM 361 CG GLN A 25 77.881 4.531 2.657 1.00 0.00 C ATOM 362 CD GLN A 25 77.954 4.439 4.187 1.00 0.00 C ATOM 363 OE1 GLN A 25 77.750 3.388 4.764 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.237 5.512 4.875 1.00 0.00 N ATOM 0 H GLN A 25 75.370 3.938 0.418 1.00 0.00 H new ATOM 0 HA GLN A 25 78.355 3.599 0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.539 2.844 2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.234 2.421 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.844 4.850 2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.150 5.286 2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.409 6.395 4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.286 5.467 5.893 1.00 0.00 H new ATOM 373 N GLY A 26 77.993 1.205 -0.549 1.00 0.00 N ATOM 374 CA GLY A 26 77.687 -0.075 -1.258 1.00 0.00 C ATOM 375 C GLY A 26 78.988 -0.802 -1.603 1.00 0.00 C ATOM 376 O GLY A 26 80.068 -0.254 -1.472 1.00 0.00 O ATOM 0 H GLY A 26 78.985 1.422 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.062 -0.709 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.122 0.129 -2.167 1.00 0.00 H new ATOM 380 N LEU A 27 78.888 -2.034 -2.037 1.00 0.00 N ATOM 381 CA LEU A 27 80.090 -2.746 -2.564 1.00 0.00 C ATOM 382 C LEU A 27 80.223 -2.497 -4.068 1.00 0.00 C ATOM 383 O LEU A 27 79.259 -2.572 -4.809 1.00 0.00 O ATOM 384 CB LEU A 27 79.833 -4.228 -2.286 1.00 0.00 C ATOM 385 CG LEU A 27 79.862 -4.479 -0.777 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.277 -5.860 -0.478 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.312 -4.421 -0.279 1.00 0.00 C ATOM 0 H LEU A 27 78.024 -2.577 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 27 81.013 -2.403 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.867 -4.523 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.589 -4.838 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 27 79.271 -3.716 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.298 -6.039 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.248 -5.904 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.868 -6.623 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.335 -4.600 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.902 -5.184 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.731 -3.438 -0.492 1.00 0.00 H new ATOM 399 N ILE A 28 81.415 -2.203 -4.516 1.00 0.00 N ATOM 400 CA ILE A 28 81.621 -1.826 -5.951 1.00 0.00 C ATOM 401 C ILE A 28 81.323 -3.016 -6.870 1.00 0.00 C ATOM 402 O ILE A 28 81.705 -4.138 -6.599 1.00 0.00 O ATOM 403 CB ILE A 28 83.098 -1.403 -6.047 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.332 -0.190 -5.133 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.460 -1.038 -7.497 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.814 0.198 -5.143 1.00 0.00 C ATOM 0 H ILE A 28 82.262 -2.207 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 28 80.953 -1.024 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 28 83.730 -2.233 -5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.726 0.651 -5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 28 83.016 -0.424 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.508 -0.741 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.296 -1.902 -8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.833 -0.212 -7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.969 1.059 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.412 -0.640 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.117 0.452 -6.159 1.00 0.00 H new ATOM 418 N LYS A 29 80.636 -2.764 -7.955 1.00 0.00 N ATOM 419 CA LYS A 29 80.442 -3.816 -8.995 1.00 0.00 C ATOM 420 C LYS A 29 81.287 -3.487 -10.228 1.00 0.00 C ATOM 421 O LYS A 29 81.790 -4.369 -10.898 1.00 0.00 O ATOM 422 CB LYS A 29 78.953 -3.774 -9.338 1.00 0.00 C ATOM 423 CG LYS A 29 78.627 -4.890 -10.333 1.00 0.00 C ATOM 424 CD LYS A 29 77.156 -4.796 -10.742 1.00 0.00 C ATOM 425 CE LYS A 29 76.789 -5.997 -11.614 1.00 0.00 C ATOM 426 NZ LYS A 29 76.368 -7.055 -10.654 1.00 0.00 N ATOM 0 H LYS A 29 80.198 -1.867 -8.165 1.00 0.00 H new ATOM 0 HA LYS A 29 80.746 -4.803 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.357 -3.893 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.694 -2.805 -9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.266 -4.806 -11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.829 -5.862 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.522 -4.770 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.978 -3.869 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.985 -5.750 -12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.638 -6.324 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 76.100 -7.913 -11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.156 -7.274 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.554 -6.718 -10.102 1.00 0.00 H new ATOM 440 N GLN A 30 81.445 -2.218 -10.527 1.00 0.00 N ATOM 441 CA GLN A 30 82.261 -1.811 -11.714 1.00 0.00 C ATOM 442 C GLN A 30 82.844 -0.416 -11.480 1.00 0.00 C ATOM 443 O GLN A 30 82.261 0.396 -10.787 1.00 0.00 O ATOM 444 CB GLN A 30 81.300 -1.792 -12.909 1.00 0.00 C ATOM 445 CG GLN A 30 80.884 -3.219 -13.283 1.00 0.00 C ATOM 446 CD GLN A 30 80.048 -3.190 -14.565 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.453 -2.182 -14.896 1.00 0.00 O ATOM 448 NE2 GLN A 30 79.978 -4.260 -15.307 1.00 0.00 N ATOM 0 H GLN A 30 81.042 -1.445 -9.997 1.00 0.00 H new ATOM 0 HA GLN A 30 83.091 -2.496 -11.889 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.417 -1.201 -12.664 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.779 -1.311 -13.762 1.00 0.00 H new ATOM 0 HG2 GLN A 30 81.768 -3.840 -13.427 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.309 -3.666 -12.472 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.476 -5.106 -15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 30 79.425 -4.251 -16.164 1.00 0.00 H new ATOM 457 N ILE A 31 83.989 -0.134 -12.055 1.00 0.00 N ATOM 458 CA ILE A 31 84.624 1.206 -11.857 1.00 0.00 C ATOM 459 C ILE A 31 85.225 1.701 -13.174 1.00 0.00 C ATOM 460 O ILE A 31 85.830 0.949 -13.915 1.00 0.00 O ATOM 461 CB ILE A 31 85.722 1.009 -10.799 1.00 0.00 C ATOM 462 CG1 ILE A 31 85.103 0.462 -9.504 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.403 2.355 -10.511 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.201 0.178 -8.470 1.00 0.00 C ATOM 0 H ILE A 31 84.511 -0.775 -12.653 1.00 0.00 H new ATOM 0 HA ILE A 31 83.898 1.951 -11.532 1.00 0.00 H new ATOM 0 HB ILE A 31 86.459 0.299 -11.174 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.391 1.182 -9.100 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.548 -0.452 -9.716 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.182 2.216 -9.761 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.848 2.741 -11.428 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.664 3.065 -10.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.749 -0.209 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.897 -0.559 -8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.738 1.100 -8.247 1.00 0.00 H new ATOM 476 N SER A 32 85.055 2.966 -13.464 1.00 0.00 N ATOM 477 CA SER A 32 85.712 3.568 -14.661 1.00 0.00 C ATOM 478 C SER A 32 86.068 5.025 -14.366 1.00 0.00 C ATOM 479 O SER A 32 85.488 5.647 -13.497 1.00 0.00 O ATOM 480 CB SER A 32 84.676 3.481 -15.779 1.00 0.00 C ATOM 481 OG SER A 32 83.570 4.315 -15.463 1.00 0.00 O ATOM 0 H SER A 32 84.485 3.611 -12.918 1.00 0.00 H new ATOM 0 HA SER A 32 86.634 3.055 -14.935 1.00 0.00 H new ATOM 0 HB2 SER A 32 85.120 3.790 -16.726 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.344 2.450 -15.903 1.00 0.00 H new ATOM 0 HG SER A 32 82.789 4.035 -15.985 1.00 0.00 H new ATOM 487 N ALA A 33 87.006 5.576 -15.092 1.00 0.00 N ATOM 488 CA ALA A 33 87.547 6.932 -14.740 1.00 0.00 C ATOM 489 C ALA A 33 86.426 7.978 -14.659 1.00 0.00 C ATOM 490 O ALA A 33 86.565 8.988 -13.993 1.00 0.00 O ATOM 491 CB ALA A 33 88.520 7.285 -15.869 1.00 0.00 C ATOM 0 H ALA A 33 87.425 5.147 -15.917 1.00 0.00 H new ATOM 0 HA ALA A 33 88.031 6.923 -13.763 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.956 8.266 -15.680 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.312 6.538 -15.913 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.985 7.303 -16.818 1.00 0.00 H new ATOM 497 N GLU A 34 85.320 7.746 -15.328 1.00 0.00 N ATOM 498 CA GLU A 34 84.247 8.785 -15.396 1.00 0.00 C ATOM 499 C GLU A 34 83.215 8.591 -14.276 1.00 0.00 C ATOM 500 O GLU A 34 82.568 9.535 -13.861 1.00 0.00 O ATOM 501 CB GLU A 34 83.596 8.595 -16.767 1.00 0.00 C ATOM 502 CG GLU A 34 84.629 8.871 -17.866 1.00 0.00 C ATOM 503 CD GLU A 34 83.979 8.755 -19.254 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.923 8.148 -19.357 1.00 0.00 O ATOM 505 OE2 GLU A 34 84.553 9.278 -20.195 1.00 0.00 O ATOM 0 H GLU A 34 85.116 6.881 -15.829 1.00 0.00 H new ATOM 0 HA GLU A 34 84.651 9.789 -15.267 1.00 0.00 H new ATOM 0 HB2 GLU A 34 83.211 7.579 -16.861 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.746 9.269 -16.874 1.00 0.00 H new ATOM 0 HG2 GLU A 34 85.049 9.868 -17.737 1.00 0.00 H new ATOM 0 HG3 GLU A 34 85.455 8.164 -17.784 1.00 0.00 H new ATOM 512 N GLU A 35 83.057 7.384 -13.784 1.00 0.00 N ATOM 513 CA GLU A 35 81.942 7.102 -12.823 1.00 0.00 C ATOM 514 C GLU A 35 82.262 5.880 -11.952 1.00 0.00 C ATOM 515 O GLU A 35 83.077 5.049 -12.306 1.00 0.00 O ATOM 516 CB GLU A 35 80.709 6.847 -13.699 1.00 0.00 C ATOM 517 CG GLU A 35 80.965 5.655 -14.633 1.00 0.00 C ATOM 518 CD GLU A 35 79.782 5.477 -15.595 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.683 5.885 -15.248 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.996 4.933 -16.665 1.00 0.00 O ATOM 0 H GLU A 35 83.650 6.584 -14.006 1.00 0.00 H new ATOM 0 HA GLU A 35 81.783 7.931 -12.133 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.841 6.647 -13.070 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.479 7.736 -14.286 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.883 5.816 -15.198 1.00 0.00 H new ATOM 0 HG3 GLU A 35 81.107 4.747 -14.047 1.00 0.00 H new ATOM 527 N ILE A 36 81.619 5.775 -10.815 1.00 0.00 N ATOM 528 CA ILE A 36 81.765 4.549 -9.966 1.00 0.00 C ATOM 529 C ILE A 36 80.402 3.864 -9.811 1.00 0.00 C ATOM 530 O ILE A 36 79.389 4.525 -9.652 1.00 0.00 O ATOM 531 CB ILE A 36 82.271 5.052 -8.606 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.588 5.836 -8.776 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.504 3.858 -7.674 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.663 4.953 -9.425 1.00 0.00 C ATOM 0 H ILE A 36 80.996 6.488 -10.436 1.00 0.00 H new ATOM 0 HA ILE A 36 82.449 3.821 -10.403 1.00 0.00 H new ATOM 0 HB ILE A 36 81.521 5.715 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.415 6.719 -9.391 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.936 6.187 -7.805 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.863 4.215 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.568 3.316 -7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.247 3.192 -8.114 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.585 5.524 -9.536 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.849 4.084 -8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.320 4.623 -10.406 1.00 0.00 H new ATOM 546 N THR A 37 80.366 2.549 -9.857 1.00 0.00 N ATOM 547 CA THR A 37 79.058 1.826 -9.760 1.00 0.00 C ATOM 548 C THR A 37 79.106 0.785 -8.635 1.00 0.00 C ATOM 549 O THR A 37 80.026 -0.009 -8.561 1.00 0.00 O ATOM 550 CB THR A 37 78.888 1.139 -11.117 1.00 0.00 C ATOM 551 OG1 THR A 37 78.948 2.113 -12.149 1.00 0.00 O ATOM 552 CG2 THR A 37 77.537 0.424 -11.164 1.00 0.00 C ATOM 0 H THR A 37 81.185 1.949 -9.957 1.00 0.00 H new ATOM 0 HA THR A 37 78.231 2.498 -9.533 1.00 0.00 H new ATOM 0 HB THR A 37 79.686 0.410 -11.258 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.841 1.675 -13.019 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.417 -0.065 -12.131 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.493 -0.323 -10.372 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.736 1.150 -11.023 1.00 0.00 H new ATOM 560 N ILE A 38 78.119 0.779 -7.769 1.00 0.00 N ATOM 561 CA ILE A 38 78.094 -0.216 -6.648 1.00 0.00 C ATOM 562 C ILE A 38 76.691 -0.826 -6.506 1.00 0.00 C ATOM 563 O ILE A 38 75.751 -0.402 -7.151 1.00 0.00 O ATOM 564 CB ILE A 38 78.488 0.557 -5.376 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.483 1.691 -5.108 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.905 1.143 -5.521 1.00 0.00 C ATOM 567 CD1 ILE A 38 77.556 2.114 -3.633 1.00 0.00 C ATOM 0 H ILE A 38 77.328 1.422 -7.790 1.00 0.00 H new ATOM 0 HA ILE A 38 78.782 -1.041 -6.831 1.00 0.00 H new ATOM 0 HB ILE A 38 78.476 -0.137 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.702 2.543 -5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.473 1.360 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 38 80.169 1.686 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.619 0.335 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.932 1.823 -6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.842 2.917 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.315 1.262 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.563 2.464 -3.404 1.00 0.00 H new ATOM 579 N VAL A 39 76.550 -1.817 -5.660 1.00 0.00 N ATOM 580 CA VAL A 39 75.257 -2.569 -5.564 1.00 0.00 C ATOM 581 C VAL A 39 74.767 -2.617 -4.112 1.00 0.00 C ATOM 582 O VAL A 39 75.514 -2.358 -3.191 1.00 0.00 O ATOM 583 CB VAL A 39 75.556 -3.975 -6.091 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.997 -3.877 -7.552 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.672 -4.622 -5.263 1.00 0.00 C ATOM 0 H VAL A 39 77.281 -2.141 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 39 74.466 -2.089 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 39 74.658 -4.588 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 39 76.212 -4.875 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.200 -3.425 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.894 -3.261 -7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.877 -5.622 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.575 -4.015 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.359 -4.690 -4.221 1.00 0.00 H new ATOM 595 N ARG A 40 73.508 -2.945 -3.913 1.00 0.00 N ATOM 596 CA ARG A 40 72.878 -2.861 -2.548 1.00 0.00 C ATOM 597 C ARG A 40 72.950 -1.422 -2.038 1.00 0.00 C ATOM 598 O ARG A 40 73.640 -1.119 -1.083 1.00 0.00 O ATOM 599 CB ARG A 40 73.657 -3.816 -1.622 1.00 0.00 C ATOM 600 CG ARG A 40 73.702 -5.219 -2.235 1.00 0.00 C ATOM 601 CD ARG A 40 72.293 -5.816 -2.255 1.00 0.00 C ATOM 602 NE ARG A 40 72.469 -7.219 -2.751 1.00 0.00 N ATOM 603 CZ ARG A 40 71.567 -8.157 -2.519 1.00 0.00 C ATOM 604 NH1 ARG A 40 70.465 -7.913 -1.841 1.00 0.00 N ATOM 605 NH2 ARG A 40 71.775 -9.362 -2.975 1.00 0.00 N ATOM 0 H ARG A 40 72.881 -3.272 -4.648 1.00 0.00 H new ATOM 0 HA ARG A 40 71.827 -3.149 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.670 -3.443 -1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.182 -3.853 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 40 74.102 -5.172 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 40 74.370 -5.858 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.845 -5.803 -1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.633 -5.247 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 40 73.307 -7.457 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 40 70.287 -6.977 -1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 40 69.789 -8.660 -1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 40 72.624 -9.569 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 40 71.089 -10.097 -2.805 1.00 0.00 H new ATOM 619 N ALA A 41 72.232 -0.538 -2.683 1.00 0.00 N ATOM 620 CA ALA A 41 72.356 0.921 -2.371 1.00 0.00 C ATOM 621 C ALA A 41 71.818 1.243 -0.972 1.00 0.00 C ATOM 622 O ALA A 41 70.661 1.012 -0.663 1.00 0.00 O ATOM 623 CB ALA A 41 71.511 1.628 -3.434 1.00 0.00 C ATOM 0 H ALA A 41 71.561 -0.764 -3.417 1.00 0.00 H new ATOM 0 HA ALA A 41 73.398 1.241 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.551 2.705 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 41 71.902 1.394 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.478 1.288 -3.363 1.00 0.00 H new ATOM 629 N PHE A 42 72.659 1.778 -0.127 1.00 0.00 N ATOM 630 CA PHE A 42 72.179 2.364 1.159 1.00 0.00 C ATOM 631 C PHE A 42 72.458 3.870 1.159 1.00 0.00 C ATOM 632 O PHE A 42 73.543 4.294 0.819 1.00 0.00 O ATOM 633 CB PHE A 42 72.992 1.666 2.253 1.00 0.00 C ATOM 634 CG PHE A 42 72.353 0.401 2.785 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.472 -0.838 2.064 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.632 0.439 4.025 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.866 -2.031 2.584 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.028 -0.755 4.543 1.00 0.00 C ATOM 639 CZ PHE A 42 71.145 -1.990 3.822 1.00 0.00 C ATOM 0 H PHE A 42 73.667 1.835 -0.274 1.00 0.00 H new ATOM 0 HA PHE A 42 71.109 2.225 1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 42 73.979 1.424 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.141 2.361 3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.017 -0.871 1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.544 1.368 4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 42 71.954 -2.961 2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.485 -0.724 5.476 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.690 -2.888 4.212 1.00 0.00 H new ATOM 649 N ARG A 43 71.493 4.674 1.537 1.00 0.00 N ATOM 650 CA ARG A 43 71.707 6.155 1.539 1.00 0.00 C ATOM 651 C ARG A 43 71.171 6.765 2.833 1.00 0.00 C ATOM 652 O ARG A 43 70.194 6.303 3.388 1.00 0.00 O ATOM 653 CB ARG A 43 70.930 6.689 0.334 1.00 0.00 C ATOM 654 CG ARG A 43 71.507 6.089 -0.953 1.00 0.00 C ATOM 655 CD ARG A 43 71.107 6.950 -2.162 1.00 0.00 C ATOM 656 NE ARG A 43 69.608 6.988 -2.165 1.00 0.00 N ATOM 657 CZ ARG A 43 68.929 7.459 -3.198 1.00 0.00 C ATOM 658 NH1 ARG A 43 69.526 7.892 -4.287 1.00 0.00 N ATOM 659 NH2 ARG A 43 67.625 7.494 -3.136 1.00 0.00 N ATOM 0 H ARG A 43 70.569 4.369 1.843 1.00 0.00 H new ATOM 0 HA ARG A 43 72.765 6.410 1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 43 69.875 6.433 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 43 70.992 7.777 0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 43 72.593 6.031 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.141 5.071 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 43 71.523 7.954 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.488 6.522 -3.089 1.00 0.00 H new ATOM 0 HE ARG A 43 69.100 6.642 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.544 7.871 -4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 43 68.971 8.249 -5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 43 67.145 7.161 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 43 67.086 7.854 -3.924 1.00 0.00 H new ATOM 673 N ASN A 44 71.812 7.799 3.323 1.00 0.00 N ATOM 674 CA ASN A 44 71.343 8.478 4.582 1.00 0.00 C ATOM 675 C ASN A 44 71.174 7.463 5.723 1.00 0.00 C ATOM 676 O ASN A 44 70.239 7.538 6.499 1.00 0.00 O ATOM 677 CB ASN A 44 69.997 9.123 4.230 1.00 0.00 C ATOM 678 CG ASN A 44 70.176 10.104 3.067 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.379 10.125 2.149 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.193 10.923 3.064 1.00 0.00 N ATOM 0 H ASN A 44 72.647 8.208 2.904 1.00 0.00 H new ATOM 0 HA ASN A 44 72.066 9.217 4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.275 8.353 3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.596 9.645 5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.318 11.579 2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.863 10.907 3.833 1.00 0.00 H new ATOM 687 N GLY A 45 72.076 6.519 5.825 1.00 0.00 N ATOM 688 CA GLY A 45 72.055 5.561 6.972 1.00 0.00 C ATOM 689 C GLY A 45 70.760 4.739 6.979 1.00 0.00 C ATOM 690 O GLY A 45 70.367 4.216 8.006 1.00 0.00 O ATOM 0 H GLY A 45 72.832 6.370 5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.914 4.893 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.147 6.109 7.910 1.00 0.00 H new ATOM 694 N VAL A 46 70.096 4.618 5.851 1.00 0.00 N ATOM 695 CA VAL A 46 68.896 3.728 5.775 1.00 0.00 C ATOM 696 C VAL A 46 68.865 2.995 4.414 1.00 0.00 C ATOM 697 O VAL A 46 69.363 3.512 3.435 1.00 0.00 O ATOM 698 CB VAL A 46 67.694 4.668 5.947 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.377 3.908 5.746 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.722 5.241 7.362 1.00 0.00 C ATOM 0 H VAL A 46 70.335 5.097 4.983 1.00 0.00 H new ATOM 0 HA VAL A 46 68.897 2.949 6.537 1.00 0.00 H new ATOM 0 HB VAL A 46 67.757 5.463 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.539 4.593 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.351 3.484 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.304 3.106 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.874 5.911 7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.663 4.428 8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.649 5.794 7.512 1.00 0.00 H new ATOM 710 N PRO A 47 68.279 1.808 4.389 1.00 0.00 N ATOM 711 CA PRO A 47 68.283 1.000 3.143 1.00 0.00 C ATOM 712 C PRO A 47 67.300 1.586 2.124 1.00 0.00 C ATOM 713 O PRO A 47 66.234 2.052 2.484 1.00 0.00 O ATOM 714 CB PRO A 47 67.830 -0.399 3.590 1.00 0.00 C ATOM 715 CG PRO A 47 67.652 -0.336 5.080 1.00 0.00 C ATOM 716 CD PRO A 47 67.566 1.113 5.471 1.00 0.00 C ATOM 0 HA PRO A 47 69.260 0.983 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.898 -0.680 3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.571 -1.151 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.748 -0.867 5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.488 -0.819 5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.531 1.446 5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.032 1.295 6.439 1.00 0.00 H new ATOM 724 N LEU A 48 67.651 1.566 0.859 1.00 0.00 N ATOM 725 CA LEU A 48 66.674 1.973 -0.199 1.00 0.00 C ATOM 726 C LEU A 48 65.682 0.839 -0.467 1.00 0.00 C ATOM 727 O LEU A 48 65.995 -0.323 -0.290 1.00 0.00 O ATOM 728 CB LEU A 48 67.521 2.267 -1.437 1.00 0.00 C ATOM 729 CG LEU A 48 68.397 3.494 -1.168 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.482 3.605 -2.246 1.00 0.00 C ATOM 731 CD2 LEU A 48 67.524 4.756 -1.185 1.00 0.00 C ATOM 0 H LEU A 48 68.570 1.286 0.515 1.00 0.00 H new ATOM 0 HA LEU A 48 66.083 2.841 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.144 1.406 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.878 2.446 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 48 68.872 3.391 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.102 4.480 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.103 2.709 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.013 3.705 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.145 5.631 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.047 4.856 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.758 4.679 -0.413 1.00 0.00 H new ATOM 743 N ARG A 49 64.488 1.173 -0.894 1.00 0.00 N ATOM 744 CA ARG A 49 63.422 0.130 -1.076 1.00 0.00 C ATOM 745 C ARG A 49 63.895 -0.970 -2.033 1.00 0.00 C ATOM 746 O ARG A 49 63.567 -2.131 -1.861 1.00 0.00 O ATOM 747 CB ARG A 49 62.224 0.874 -1.673 1.00 0.00 C ATOM 748 CG ARG A 49 61.708 1.903 -0.665 1.00 0.00 C ATOM 749 CD ARG A 49 60.445 2.569 -1.215 1.00 0.00 C ATOM 750 NE ARG A 49 60.156 3.691 -0.269 1.00 0.00 N ATOM 751 CZ ARG A 49 60.853 4.815 -0.287 1.00 0.00 C ATOM 752 NH1 ARG A 49 61.839 5.011 -1.136 1.00 0.00 N ATOM 753 NH2 ARG A 49 60.554 5.760 0.564 1.00 0.00 N ATOM 0 H ARG A 49 64.202 2.124 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 49 63.173 -0.358 -0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.515 1.370 -2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 49 61.433 0.168 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.491 1.418 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 49 62.474 2.655 -0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.603 2.938 -2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 49 59.614 1.865 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 49 59.401 3.586 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 49 62.086 4.284 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 49 62.356 5.890 -1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 49 59.793 5.625 1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 49 61.082 6.633 0.563 1.00 0.00 H new ATOM 767 N LYS A 50 64.659 -0.613 -3.037 1.00 0.00 N ATOM 768 CA LYS A 50 65.168 -1.635 -4.002 1.00 0.00 C ATOM 769 C LYS A 50 66.570 -2.096 -3.593 1.00 0.00 C ATOM 770 O LYS A 50 67.557 -1.454 -3.904 1.00 0.00 O ATOM 771 CB LYS A 50 65.209 -0.921 -5.353 1.00 0.00 C ATOM 772 CG LYS A 50 63.787 -0.545 -5.774 1.00 0.00 C ATOM 773 CD LYS A 50 63.813 0.058 -7.181 1.00 0.00 C ATOM 774 CE LYS A 50 62.410 0.540 -7.557 1.00 0.00 C ATOM 775 NZ LYS A 50 62.257 0.192 -8.997 1.00 0.00 N ATOM 0 H LYS A 50 64.952 0.345 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 50 64.538 -2.524 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.828 -0.027 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.663 -1.567 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.146 -1.427 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.365 0.170 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.517 0.890 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.159 -0.685 -7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.648 0.051 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 50 62.305 1.613 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 61.318 0.492 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.991 0.677 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.355 -0.836 -9.118 1.00 0.00 H new ATOM 789 N GLN A 51 66.657 -3.203 -2.898 1.00 0.00 N ATOM 790 CA GLN A 51 67.994 -3.732 -2.477 1.00 0.00 C ATOM 791 C GLN A 51 68.834 -4.082 -3.707 1.00 0.00 C ATOM 792 O GLN A 51 70.040 -3.918 -3.711 1.00 0.00 O ATOM 793 CB GLN A 51 67.699 -4.989 -1.656 1.00 0.00 C ATOM 794 CG GLN A 51 66.938 -4.603 -0.384 1.00 0.00 C ATOM 795 CD GLN A 51 66.595 -5.864 0.415 1.00 0.00 C ATOM 796 OE1 GLN A 51 66.550 -6.951 -0.127 1.00 0.00 O ATOM 797 NE2 GLN A 51 66.348 -5.763 1.692 1.00 0.00 N ATOM 0 H GLN A 51 65.859 -3.765 -2.603 1.00 0.00 H new ATOM 0 HA GLN A 51 68.558 -2.999 -1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.110 -5.691 -2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.630 -5.493 -1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.543 -3.930 0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.026 -4.066 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.385 -4.851 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.118 -6.596 2.234 1.00 0.00 H new ATOM 806 N ASN A 52 68.200 -4.563 -4.749 1.00 0.00 N ATOM 807 CA ASN A 52 68.957 -4.985 -5.970 1.00 0.00 C ATOM 808 C ASN A 52 69.234 -3.795 -6.909 1.00 0.00 C ATOM 809 O ASN A 52 69.808 -3.971 -7.969 1.00 0.00 O ATOM 810 CB ASN A 52 68.060 -6.024 -6.655 1.00 0.00 C ATOM 811 CG ASN A 52 66.717 -5.397 -7.045 1.00 0.00 C ATOM 812 OD1 ASN A 52 66.675 -4.372 -7.696 1.00 0.00 O ATOM 813 ND2 ASN A 52 65.609 -5.976 -6.671 1.00 0.00 N ATOM 0 H ASN A 52 67.189 -4.682 -4.807 1.00 0.00 H new ATOM 0 HA ASN A 52 69.935 -5.390 -5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 52 68.558 -6.414 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 52 67.894 -6.868 -5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 52 64.709 -5.568 -6.925 1.00 0.00 H new ATOM 0 HD22 ASN A 52 65.643 -6.837 -6.124 1.00 0.00 H new ATOM 820 N ALA A 53 68.837 -2.593 -6.538 1.00 0.00 N ATOM 821 CA ALA A 53 69.072 -1.415 -7.433 1.00 0.00 C ATOM 822 C ALA A 53 70.547 -1.005 -7.389 1.00 0.00 C ATOM 823 O ALA A 53 71.151 -0.943 -6.334 1.00 0.00 O ATOM 824 CB ALA A 53 68.189 -0.297 -6.873 1.00 0.00 C ATOM 0 H ALA A 53 68.364 -2.382 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 53 68.832 -1.637 -8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.309 0.600 -7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.146 -0.612 -6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.482 -0.082 -5.845 1.00 0.00 H new ATOM 830 N GLU A 54 71.124 -0.726 -8.531 1.00 0.00 N ATOM 831 CA GLU A 54 72.558 -0.301 -8.575 1.00 0.00 C ATOM 832 C GLU A 54 72.672 1.230 -8.494 1.00 0.00 C ATOM 833 O GLU A 54 71.844 1.949 -9.021 1.00 0.00 O ATOM 834 CB GLU A 54 73.105 -0.839 -9.915 1.00 0.00 C ATOM 835 CG GLU A 54 72.455 -0.122 -11.115 1.00 0.00 C ATOM 836 CD GLU A 54 72.992 -0.706 -12.429 1.00 0.00 C ATOM 837 OE1 GLU A 54 74.098 -1.227 -12.423 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.286 -0.621 -13.420 1.00 0.00 O ATOM 0 H GLU A 54 70.662 -0.774 -9.439 1.00 0.00 H new ATOM 0 HA GLU A 54 73.127 -0.691 -7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.186 -0.703 -9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.916 -1.910 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.372 -0.235 -11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.666 0.946 -11.069 1.00 0.00 H new ATOM 845 N VAL A 55 73.693 1.724 -7.835 1.00 0.00 N ATOM 846 CA VAL A 55 73.949 3.198 -7.826 1.00 0.00 C ATOM 847 C VAL A 55 75.108 3.516 -8.770 1.00 0.00 C ATOM 848 O VAL A 55 76.207 3.025 -8.589 1.00 0.00 O ATOM 849 CB VAL A 55 74.333 3.535 -6.377 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.631 5.037 -6.245 1.00 0.00 C ATOM 851 CG2 VAL A 55 73.176 3.164 -5.444 1.00 0.00 C ATOM 0 H VAL A 55 74.361 1.168 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 55 73.084 3.774 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 55 75.224 2.969 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.902 5.265 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.457 5.303 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.746 5.609 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.447 3.403 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.287 3.728 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.970 2.097 -5.527 1.00 0.00 H new ATOM 861 N VAL A 56 74.872 4.327 -9.772 1.00 0.00 N ATOM 862 CA VAL A 56 75.989 4.764 -10.663 1.00 0.00 C ATOM 863 C VAL A 56 76.059 6.288 -10.672 1.00 0.00 C ATOM 864 O VAL A 56 75.173 6.957 -11.173 1.00 0.00 O ATOM 865 CB VAL A 56 75.664 4.228 -12.061 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.832 4.559 -12.993 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.459 2.702 -12.016 1.00 0.00 C ATOM 0 H VAL A 56 73.955 4.704 -10.010 1.00 0.00 H new ATOM 0 HA VAL A 56 76.954 4.388 -10.323 1.00 0.00 H new ATOM 0 HB VAL A 56 74.746 4.691 -12.424 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.617 4.184 -13.994 1.00 0.00 H new ATOM 0 HG12 VAL A 56 76.971 5.639 -13.033 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.741 4.090 -12.618 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.229 2.336 -13.017 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.369 2.223 -11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.634 2.465 -11.344 1.00 0.00 H new ATOM 877 N LEU A 57 77.108 6.834 -10.123 1.00 0.00 N ATOM 878 CA LEU A 57 77.177 8.312 -9.930 1.00 0.00 C ATOM 879 C LEU A 57 78.484 8.870 -10.501 1.00 0.00 C ATOM 880 O LEU A 57 79.537 8.273 -10.366 1.00 0.00 O ATOM 881 CB LEU A 57 77.073 8.490 -8.417 1.00 0.00 C ATOM 882 CG LEU A 57 75.588 8.514 -8.033 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.402 7.949 -6.628 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.084 9.957 -8.053 1.00 0.00 C ATOM 0 H LEU A 57 77.926 6.318 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 57 76.389 8.855 -10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.584 7.676 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.559 9.416 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 57 75.028 7.909 -8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.345 7.970 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.763 6.921 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 57 75.966 8.552 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.029 9.978 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.655 10.552 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.209 10.372 -9.053 1.00 0.00 H new ATOM 896 N LYS A 58 78.413 10.012 -11.138 1.00 0.00 N ATOM 897 CA LYS A 58 79.621 10.585 -11.815 1.00 0.00 C ATOM 898 C LYS A 58 80.606 11.132 -10.776 1.00 0.00 C ATOM 899 O LYS A 58 80.218 11.778 -9.822 1.00 0.00 O ATOM 900 CB LYS A 58 79.087 11.723 -12.691 1.00 0.00 C ATOM 901 CG LYS A 58 80.172 12.165 -13.675 1.00 0.00 C ATOM 902 CD LYS A 58 80.240 11.174 -14.838 1.00 0.00 C ATOM 903 CE LYS A 58 81.288 11.644 -15.849 1.00 0.00 C ATOM 904 NZ LYS A 58 80.617 12.722 -16.625 1.00 0.00 N ATOM 0 H LYS A 58 77.567 10.576 -11.220 1.00 0.00 H new ATOM 0 HA LYS A 58 80.156 9.835 -12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.202 11.393 -13.234 1.00 0.00 H new ATOM 0 HB3 LYS A 58 78.783 12.564 -12.067 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.954 13.166 -14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.137 12.216 -13.170 1.00 0.00 H new ATOM 0 HD2 LYS A 58 80.495 10.181 -14.469 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.265 11.094 -15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 58 82.181 12.016 -15.347 1.00 0.00 H new ATOM 0 HE3 LYS A 58 81.604 10.828 -16.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 80.602 12.466 -17.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.642 12.840 -16.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 81.137 13.614 -16.502 1.00 0.00 H new ATOM 918 N CYS A 59 81.879 10.874 -10.962 1.00 0.00 N ATOM 919 CA CYS A 59 82.916 11.409 -10.015 1.00 0.00 C ATOM 920 C CYS A 59 82.799 12.935 -9.871 1.00 0.00 C ATOM 921 O CYS A 59 83.081 13.490 -8.826 1.00 0.00 O ATOM 922 CB CYS A 59 84.274 11.026 -10.631 1.00 0.00 C ATOM 923 SG CYS A 59 84.443 11.733 -12.295 1.00 0.00 S ATOM 0 H CYS A 59 82.248 10.314 -11.731 1.00 0.00 H new ATOM 0 HA CYS A 59 82.792 10.995 -9.014 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.083 11.384 -9.994 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.364 9.941 -10.680 1.00 0.00 H new ATOM 0 HG CYS A 59 83.766 11.016 -13.142 1.00 0.00 H new ATOM 929 N THR A 60 82.385 13.605 -10.919 1.00 0.00 N ATOM 930 CA THR A 60 82.262 15.099 -10.865 1.00 0.00 C ATOM 931 C THR A 60 81.186 15.509 -9.854 1.00 0.00 C ATOM 932 O THR A 60 81.226 16.595 -9.306 1.00 0.00 O ATOM 933 CB THR A 60 81.857 15.530 -12.280 1.00 0.00 C ATOM 934 OG1 THR A 60 80.614 14.932 -12.617 1.00 0.00 O ATOM 935 CG2 THR A 60 82.928 15.092 -13.281 1.00 0.00 C ATOM 0 H THR A 60 82.126 13.183 -11.811 1.00 0.00 H new ATOM 0 HA THR A 60 83.193 15.570 -10.550 1.00 0.00 H new ATOM 0 HB THR A 60 81.760 16.615 -12.314 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.275 15.328 -13.447 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.636 15.400 -14.285 1.00 0.00 H new ATOM 0 HG22 THR A 60 83.880 15.556 -13.022 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.033 14.007 -13.251 1.00 0.00 H new ATOM 943 N ASP A 61 80.228 14.648 -9.606 1.00 0.00 N ATOM 944 CA ASP A 61 79.165 14.964 -8.603 1.00 0.00 C ATOM 945 C ASP A 61 79.602 14.513 -7.202 1.00 0.00 C ATOM 946 O ASP A 61 79.121 15.020 -6.206 1.00 0.00 O ATOM 947 CB ASP A 61 77.932 14.182 -9.063 1.00 0.00 C ATOM 948 CG ASP A 61 77.479 14.686 -10.439 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.693 15.854 -10.726 1.00 0.00 O ATOM 950 OD2 ASP A 61 76.925 13.893 -11.182 1.00 0.00 O ATOM 0 H ASP A 61 80.137 13.738 -10.057 1.00 0.00 H new ATOM 0 HA ASP A 61 78.965 16.034 -8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.163 13.118 -9.114 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.125 14.299 -8.339 1.00 0.00 H new ATOM 955 N ILE A 62 80.509 13.566 -7.124 1.00 0.00 N ATOM 956 CA ILE A 62 81.024 13.118 -5.792 1.00 0.00 C ATOM 957 C ILE A 62 82.098 14.092 -5.296 1.00 0.00 C ATOM 958 O ILE A 62 82.872 14.621 -6.074 1.00 0.00 O ATOM 959 CB ILE A 62 81.624 11.727 -6.038 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.542 10.784 -6.578 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.173 11.162 -4.725 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.181 9.470 -7.026 1.00 0.00 C ATOM 0 H ILE A 62 80.914 13.085 -7.927 1.00 0.00 H new ATOM 0 HA ILE A 62 80.243 13.088 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 62 82.431 11.812 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.795 10.592 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.023 11.251 -7.415 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.598 10.174 -4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 62 82.947 11.826 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.366 11.083 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.409 8.802 -7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 62 81.911 9.669 -7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.679 9.000 -6.178 1.00 0.00 H new ATOM 974 N ARG A 63 82.148 14.327 -4.008 1.00 0.00 N ATOM 975 CA ARG A 63 83.160 15.270 -3.446 1.00 0.00 C ATOM 976 C ARG A 63 84.330 14.489 -2.841 1.00 0.00 C ATOM 977 O ARG A 63 85.463 14.939 -2.874 1.00 0.00 O ATOM 978 CB ARG A 63 82.418 16.058 -2.367 1.00 0.00 C ATOM 979 CG ARG A 63 83.341 17.138 -1.798 1.00 0.00 C ATOM 980 CD ARG A 63 83.531 18.247 -2.835 1.00 0.00 C ATOM 981 NE ARG A 63 84.503 19.203 -2.213 1.00 0.00 N ATOM 982 CZ ARG A 63 85.217 20.043 -2.942 1.00 0.00 C ATOM 983 NH1 ARG A 63 85.114 20.091 -4.253 1.00 0.00 N ATOM 984 NH2 ARG A 63 86.050 20.851 -2.344 1.00 0.00 N ATOM 0 H ARG A 63 81.527 13.903 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 63 83.579 15.928 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.522 16.515 -2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.092 15.388 -1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.915 17.550 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.305 16.704 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.917 17.847 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.586 18.739 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 63 84.617 19.206 -1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.468 19.468 -4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.680 20.752 -4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.143 20.828 -1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.608 21.505 -2.892 1.00 0.00 H new ATOM 998 N SER A 64 84.066 13.327 -2.290 1.00 0.00 N ATOM 999 CA SER A 64 85.168 12.515 -1.679 1.00 0.00 C ATOM 1000 C SER A 64 84.744 11.051 -1.543 1.00 0.00 C ATOM 1001 O SER A 64 83.572 10.745 -1.438 1.00 0.00 O ATOM 1002 CB SER A 64 85.407 13.138 -0.305 1.00 0.00 C ATOM 1003 OG SER A 64 86.522 12.504 0.310 1.00 0.00 O ATOM 0 H SER A 64 83.138 12.907 -2.237 1.00 0.00 H new ATOM 0 HA SER A 64 86.070 12.523 -2.291 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.591 14.208 -0.405 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.520 13.024 0.318 1.00 0.00 H new ATOM 0 HG SER A 64 86.680 12.902 1.191 1.00 0.00 H new ATOM 1009 N ILE A 65 85.695 10.147 -1.541 1.00 0.00 N ATOM 1010 CA ILE A 65 85.359 8.689 -1.457 1.00 0.00 C ATOM 1011 C ILE A 65 86.332 7.988 -0.505 1.00 0.00 C ATOM 1012 O ILE A 65 87.495 8.341 -0.422 1.00 0.00 O ATOM 1013 CB ILE A 65 85.503 8.135 -2.881 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.591 8.911 -3.843 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.110 6.653 -2.886 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.826 8.431 -5.278 1.00 0.00 C ATOM 0 H ILE A 65 86.692 10.356 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 65 84.351 8.526 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 65 86.537 8.245 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.547 8.765 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.794 9.979 -3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.210 6.253 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.764 6.101 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.076 6.550 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.177 8.984 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.867 8.600 -5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.601 7.367 -5.347 1.00 0.00 H new ATOM 1028 N ASP A 66 85.859 6.996 0.209 1.00 0.00 N ATOM 1029 CA ASP A 66 86.740 6.264 1.170 1.00 0.00 C ATOM 1030 C ASP A 66 86.517 4.751 1.063 1.00 0.00 C ATOM 1031 O ASP A 66 85.393 4.289 1.058 1.00 0.00 O ATOM 1032 CB ASP A 66 86.322 6.779 2.554 1.00 0.00 C ATOM 1033 CG ASP A 66 84.841 6.474 2.815 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.561 5.413 3.346 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.017 7.307 2.476 1.00 0.00 O ATOM 0 H ASP A 66 84.897 6.661 0.167 1.00 0.00 H new ATOM 0 HA ASP A 66 87.798 6.434 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.937 6.312 3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.495 7.853 2.616 1.00 0.00 H new ATOM 1040 N LEU A 67 87.577 3.984 0.978 1.00 0.00 N ATOM 1041 CA LEU A 67 87.435 2.496 1.048 1.00 0.00 C ATOM 1042 C LEU A 67 87.236 2.064 2.504 1.00 0.00 C ATOM 1043 O LEU A 67 88.125 2.203 3.325 1.00 0.00 O ATOM 1044 CB LEU A 67 88.756 1.943 0.505 1.00 0.00 C ATOM 1045 CG LEU A 67 88.676 1.812 -1.025 1.00 0.00 C ATOM 1046 CD1 LEU A 67 90.007 2.240 -1.647 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.393 0.354 -1.403 1.00 0.00 C ATOM 0 H LEU A 67 88.532 4.323 0.863 1.00 0.00 H new ATOM 0 HA LEU A 67 86.579 2.133 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.578 2.604 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.965 0.971 0.952 1.00 0.00 H new ATOM 0 HG LEU A 67 87.874 2.450 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.949 2.147 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.215 3.277 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.806 1.602 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.337 0.264 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.195 -0.282 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.446 0.041 -0.963 1.00 0.00 H new ATOM 1059 N ILE A 68 86.078 1.541 2.827 1.00 0.00 N ATOM 1060 CA ILE A 68 85.808 1.103 4.233 1.00 0.00 C ATOM 1061 C ILE A 68 86.488 -0.243 4.502 1.00 0.00 C ATOM 1062 O ILE A 68 87.164 -0.421 5.499 1.00 0.00 O ATOM 1063 CB ILE A 68 84.282 0.973 4.332 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.627 2.324 4.018 1.00 0.00 C ATOM 1065 CG2 ILE A 68 83.891 0.541 5.751 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.108 2.152 3.910 1.00 0.00 C ATOM 0 H ILE A 68 85.306 1.398 2.176 1.00 0.00 H new ATOM 0 HA ILE A 68 86.197 1.808 4.968 1.00 0.00 H new ATOM 0 HB ILE A 68 83.941 0.226 3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.866 3.045 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.024 2.723 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.807 0.450 5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.351 -0.421 5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.237 1.287 6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.648 3.115 3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.878 1.446 3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.717 1.773 4.854 1.00 0.00 H new ATOM 1078 N GLU A 69 86.306 -1.188 3.614 1.00 0.00 N ATOM 1079 CA GLU A 69 86.874 -2.552 3.827 1.00 0.00 C ATOM 1080 C GLU A 69 87.493 -3.083 2.522 1.00 0.00 C ATOM 1081 O GLU A 69 86.776 -3.565 1.666 1.00 0.00 O ATOM 1082 CB GLU A 69 85.682 -3.416 4.244 1.00 0.00 C ATOM 1083 CG GLU A 69 85.399 -3.211 5.734 1.00 0.00 C ATOM 1084 CD GLU A 69 83.942 -3.567 6.030 1.00 0.00 C ATOM 1085 OE1 GLU A 69 83.581 -4.716 5.830 1.00 0.00 O ATOM 1086 OE2 GLU A 69 83.210 -2.687 6.453 1.00 0.00 O ATOM 0 H GLU A 69 85.785 -1.071 2.745 1.00 0.00 H new ATOM 0 HA GLU A 69 87.665 -2.556 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 69 84.803 -3.150 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.893 -4.467 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.065 -3.834 6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 69 85.596 -2.176 6.013 1.00 0.00 H new