USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 969 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 108 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 160:sc= 0.691 (180deg=-0.0776) USER MOD Set 2.2: A 31 THR OG1 : rot 46:sc= 1.04 USER MOD Single : A 9 SER OG : rot 43:sc= 0.379 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -144:sc= 1.17 (180deg=-0.949) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 1.16 (180deg=1.13) USER MOD Single : A 25 ASN : amide:sc= -0.6 K(o=-0.6,f=-4.9!) USER MOD Single : A 28 LYS NZ :NH3+ -113:sc= 0.198 (180deg=-0.335) USER MOD Single : A 34 SER OG : rot 160:sc= -1.09 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 156:sc= -0.561 (180deg=-1.34) USER MOD Single : A 66 LYS NZ :NH3+ -156:sc= 0.394 (180deg=-0.236) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 1.17 (180deg=0.989) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 88 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 94 SER OG : rot 79:sc= 0.473 USER MOD Single : A 106 THR OG1 : rot 23:sc= 0.0719 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 167:sc= 0.656 (180deg=0.55) USER MOD Single : A 116 SER OG : rot -81:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 2.631 4.004 6.389 1.00 61.44 N ATOM 35 CA ILE A 3 1.711 4.034 5.248 1.00 43.41 C ATOM 36 C ILE A 3 1.859 2.756 4.396 1.00 15.42 C ATOM 37 O ILE A 3 2.971 2.344 4.059 1.00 53.51 O ATOM 38 CB ILE A 3 1.952 5.299 4.374 1.00 64.14 C ATOM 39 CG1 ILE A 3 1.102 5.259 3.089 1.00 22.23 C ATOM 40 CG2 ILE A 3 3.435 5.452 4.039 1.00 73.54 C ATOM 41 CD1 ILE A 3 1.250 6.487 2.210 1.00 11.12 C ATOM 0 HA ILE A 3 0.693 4.076 5.637 1.00 43.41 H new ATOM 0 HB ILE A 3 1.641 6.169 4.953 1.00 64.14 H new ATOM 0 HG12 ILE A 3 1.377 4.377 2.511 1.00 22.23 H new ATOM 0 HG13 ILE A 3 0.053 5.146 3.363 1.00 22.23 H new ATOM 0 HG21 ILE A 3 3.580 6.343 3.428 1.00 73.54 H new ATOM 0 HG22 ILE A 3 4.008 5.548 4.961 1.00 73.54 H new ATOM 0 HG23 ILE A 3 3.776 4.575 3.489 1.00 73.54 H new ATOM 0 HD11 ILE A 3 0.620 6.380 1.327 1.00 11.12 H new ATOM 0 HD12 ILE A 3 0.946 7.373 2.768 1.00 11.12 H new ATOM 0 HD13 ILE A 3 2.291 6.591 1.903 1.00 11.12 H new ATOM 53 N VAL A 4 0.730 2.130 4.060 1.00 13.23 N ATOM 54 CA VAL A 4 0.727 0.854 3.329 1.00 70.11 C ATOM 55 C VAL A 4 0.221 1.021 1.886 1.00 12.11 C ATOM 56 O VAL A 4 -0.873 1.528 1.654 1.00 71.44 O ATOM 57 CB VAL A 4 -0.150 -0.200 4.053 1.00 23.42 C ATOM 58 CG1 VAL A 4 -0.152 -1.527 3.291 1.00 65.22 C ATOM 59 CG2 VAL A 4 0.331 -0.396 5.489 1.00 52.43 C ATOM 0 H VAL A 4 -0.200 2.485 4.282 1.00 13.23 H new ATOM 0 HA VAL A 4 1.761 0.510 3.299 1.00 70.11 H new ATOM 0 HB VAL A 4 -1.175 0.168 4.082 1.00 23.42 H new ATOM 0 HG11 VAL A 4 -0.774 -2.249 3.820 1.00 65.22 H new ATOM 0 HG12 VAL A 4 -0.550 -1.370 2.288 1.00 65.22 H new ATOM 0 HG13 VAL A 4 0.867 -1.908 3.221 1.00 65.22 H new ATOM 0 HG21 VAL A 4 -0.295 -1.139 5.984 1.00 52.43 H new ATOM 0 HG22 VAL A 4 1.366 -0.739 5.483 1.00 52.43 H new ATOM 0 HG23 VAL A 4 0.266 0.550 6.027 1.00 52.43 H new ATOM 69 N ILE A 5 1.022 0.586 0.919 1.00 34.41 N ATOM 70 CA ILE A 5 0.650 0.686 -0.499 1.00 41.35 C ATOM 71 C ILE A 5 0.354 -0.700 -1.101 1.00 65.44 C ATOM 72 O ILE A 5 1.257 -1.515 -1.275 1.00 23.45 O ATOM 73 CB ILE A 5 1.773 1.377 -1.314 1.00 21.22 C ATOM 74 CG1 ILE A 5 2.115 2.742 -0.689 1.00 11.04 C ATOM 75 CG2 ILE A 5 1.364 1.535 -2.780 1.00 64.34 C ATOM 76 CD1 ILE A 5 3.310 3.427 -1.317 1.00 13.31 C ATOM 0 H ILE A 5 1.934 0.160 1.085 1.00 34.41 H new ATOM 0 HA ILE A 5 -0.256 1.289 -0.555 1.00 41.35 H new ATOM 0 HB ILE A 5 2.663 0.748 -1.283 1.00 21.22 H new ATOM 0 HG12 ILE A 5 1.248 3.397 -0.775 1.00 11.04 H new ATOM 0 HG13 ILE A 5 2.306 2.605 0.375 1.00 11.04 H new ATOM 0 HG21 ILE A 5 2.168 2.022 -3.332 1.00 64.34 H new ATOM 0 HG22 ILE A 5 1.171 0.553 -3.212 1.00 64.34 H new ATOM 0 HG23 ILE A 5 0.461 2.142 -2.842 1.00 64.34 H new ATOM 0 HD11 ILE A 5 3.485 4.382 -0.821 1.00 13.31 H new ATOM 0 HD12 ILE A 5 4.191 2.795 -1.208 1.00 13.31 H new ATOM 0 HD13 ILE A 5 3.116 3.599 -2.376 1.00 13.31 H new ATOM 88 N VAL A 6 -0.916 -0.963 -1.406 1.00 13.31 N ATOM 89 CA VAL A 6 -1.335 -2.245 -1.996 1.00 1.51 C ATOM 90 C VAL A 6 -1.298 -2.191 -3.533 1.00 65.14 C ATOM 91 O VAL A 6 -2.025 -1.416 -4.157 1.00 73.43 O ATOM 92 CB VAL A 6 -2.761 -2.638 -1.531 1.00 61.22 C ATOM 93 CG1 VAL A 6 -3.166 -4.003 -2.092 1.00 52.31 C ATOM 94 CG2 VAL A 6 -2.849 -2.626 -0.004 1.00 43.21 C ATOM 0 H VAL A 6 -1.680 -0.305 -1.255 1.00 13.31 H new ATOM 0 HA VAL A 6 -0.628 -3.000 -1.651 1.00 1.51 H new ATOM 0 HB VAL A 6 -3.461 -1.899 -1.920 1.00 61.22 H new ATOM 0 HG11 VAL A 6 -4.170 -4.254 -1.750 1.00 52.31 H new ATOM 0 HG12 VAL A 6 -3.152 -3.967 -3.181 1.00 52.31 H new ATOM 0 HG13 VAL A 6 -2.465 -4.762 -1.745 1.00 52.31 H new ATOM 0 HG21 VAL A 6 -3.857 -2.904 0.305 1.00 43.21 H new ATOM 0 HG22 VAL A 6 -2.134 -3.338 0.407 1.00 43.21 H new ATOM 0 HG23 VAL A 6 -2.619 -1.627 0.366 1.00 43.21 H new ATOM 104 N VAL A 7 -0.456 -3.025 -4.140 1.00 31.34 N ATOM 105 CA VAL A 7 -0.263 -3.022 -5.598 1.00 32.12 C ATOM 106 C VAL A 7 -0.763 -4.327 -6.244 1.00 3.43 C ATOM 107 O VAL A 7 -0.182 -5.390 -6.035 1.00 21.53 O ATOM 108 CB VAL A 7 1.235 -2.822 -5.948 1.00 14.14 C ATOM 109 CG1 VAL A 7 1.461 -2.817 -7.459 1.00 42.12 C ATOM 110 CG2 VAL A 7 1.769 -1.536 -5.321 1.00 0.51 C ATOM 0 H VAL A 7 0.108 -3.717 -3.646 1.00 31.34 H new ATOM 0 HA VAL A 7 -0.849 -2.193 -5.996 1.00 32.12 H new ATOM 0 HB VAL A 7 1.786 -3.666 -5.533 1.00 14.14 H new ATOM 0 HG11 VAL A 7 2.521 -2.675 -7.668 1.00 42.12 H new ATOM 0 HG12 VAL A 7 1.133 -3.768 -7.879 1.00 42.12 H new ATOM 0 HG13 VAL A 7 0.890 -2.005 -7.910 1.00 42.12 H new ATOM 0 HG21 VAL A 7 2.821 -1.415 -5.579 1.00 0.51 H new ATOM 0 HG22 VAL A 7 1.203 -0.685 -5.699 1.00 0.51 H new ATOM 0 HG23 VAL A 7 1.665 -1.589 -4.237 1.00 0.51 H new ATOM 120 N PHE A 8 -1.836 -4.240 -7.038 1.00 64.42 N ATOM 121 CA PHE A 8 -2.394 -5.417 -7.732 1.00 13.41 C ATOM 122 C PHE A 8 -1.667 -5.722 -9.055 1.00 24.41 C ATOM 123 O PHE A 8 -2.063 -6.627 -9.798 1.00 40.54 O ATOM 124 CB PHE A 8 -3.895 -5.219 -7.996 1.00 51.20 C ATOM 125 CG PHE A 8 -4.765 -5.406 -6.776 1.00 31.11 C ATOM 126 CD1 PHE A 8 -4.932 -4.382 -5.855 1.00 31.02 C ATOM 127 CD2 PHE A 8 -5.415 -6.614 -6.552 1.00 34.21 C ATOM 128 CE1 PHE A 8 -5.728 -4.558 -4.740 1.00 50.34 C ATOM 129 CE2 PHE A 8 -6.210 -6.793 -5.437 1.00 51.33 C ATOM 130 CZ PHE A 8 -6.366 -5.765 -4.529 1.00 61.24 C ATOM 0 H PHE A 8 -2.338 -3.371 -7.219 1.00 64.42 H new ATOM 0 HA PHE A 8 -2.245 -6.273 -7.073 1.00 13.41 H new ATOM 0 HB2 PHE A 8 -4.054 -4.216 -8.392 1.00 51.20 H new ATOM 0 HB3 PHE A 8 -4.213 -5.921 -8.767 1.00 51.20 H new ATOM 0 HD1 PHE A 8 -4.434 -3.437 -6.012 1.00 31.02 H new ATOM 0 HD2 PHE A 8 -5.297 -7.422 -7.258 1.00 34.21 H new ATOM 0 HE1 PHE A 8 -5.852 -3.751 -4.033 1.00 50.34 H new ATOM 0 HE2 PHE A 8 -6.709 -7.737 -5.276 1.00 51.33 H new ATOM 0 HZ PHE A 8 -6.986 -5.904 -3.655 1.00 61.24 H new ATOM 140 N SER A 9 -0.616 -4.964 -9.357 1.00 62.15 N ATOM 141 CA SER A 9 0.197 -5.207 -10.557 1.00 45.12 C ATOM 142 C SER A 9 1.505 -5.922 -10.201 1.00 41.55 C ATOM 143 O SER A 9 2.370 -5.361 -9.523 1.00 72.43 O ATOM 144 CB SER A 9 0.508 -3.888 -11.278 1.00 61.23 C ATOM 145 OG SER A 9 1.268 -3.015 -10.458 1.00 4.12 O ATOM 0 H SER A 9 -0.303 -4.175 -8.791 1.00 62.15 H new ATOM 0 HA SER A 9 -0.381 -5.848 -11.222 1.00 45.12 H new ATOM 0 HB2 SER A 9 1.056 -4.095 -12.197 1.00 61.23 H new ATOM 0 HB3 SER A 9 -0.424 -3.400 -11.565 1.00 61.23 H new ATOM 0 HG SER A 9 1.967 -3.524 -9.998 1.00 4.12 H new ATOM 151 N THR A 10 1.651 -7.156 -10.673 1.00 44.14 N ATOM 152 CA THR A 10 2.837 -7.972 -10.378 1.00 63.25 C ATOM 153 C THR A 10 4.034 -7.575 -11.250 1.00 23.14 C ATOM 154 O THR A 10 5.189 -7.740 -10.848 1.00 62.04 O ATOM 155 CB THR A 10 2.563 -9.479 -10.603 1.00 12.01 C ATOM 156 OG1 THR A 10 2.341 -9.738 -12.000 1.00 42.34 O ATOM 157 CG2 THR A 10 1.351 -9.946 -9.801 1.00 2.40 C ATOM 0 H THR A 10 0.962 -7.620 -11.265 1.00 44.14 H new ATOM 0 HA THR A 10 3.070 -7.789 -9.329 1.00 63.25 H new ATOM 0 HB THR A 10 3.438 -10.032 -10.262 1.00 12.01 H new ATOM 0 HG1 THR A 10 2.170 -10.694 -12.132 1.00 42.34 H new ATOM 0 HG21 THR A 10 1.184 -11.008 -9.980 1.00 2.40 H new ATOM 0 HG22 THR A 10 1.532 -9.781 -8.739 1.00 2.40 H new ATOM 0 HG23 THR A 10 0.471 -9.383 -10.111 1.00 2.40 H new ATOM 165 N ASP A 11 3.750 -7.055 -12.443 1.00 72.10 N ATOM 166 CA ASP A 11 4.793 -6.718 -13.413 1.00 0.32 C ATOM 167 C ASP A 11 5.689 -5.562 -12.931 1.00 32.44 C ATOM 168 O ASP A 11 5.202 -4.538 -12.437 1.00 2.54 O ATOM 169 CB ASP A 11 4.156 -6.388 -14.766 1.00 65.43 C ATOM 170 CG ASP A 11 3.409 -7.581 -15.344 1.00 11.20 C ATOM 171 OD1 ASP A 11 4.066 -8.512 -15.853 1.00 23.22 O ATOM 172 OD2 ASP A 11 2.163 -7.609 -15.271 1.00 15.01 O ATOM 0 H ASP A 11 2.802 -6.857 -12.763 1.00 72.10 H new ATOM 0 HA ASP A 11 5.440 -7.589 -13.522 1.00 0.32 H new ATOM 0 HB2 ASP A 11 3.469 -5.550 -14.650 1.00 65.43 H new ATOM 0 HB3 ASP A 11 4.930 -6.070 -15.465 1.00 65.43 H new ATOM 177 N GLU A 12 7.002 -5.741 -13.096 1.00 73.24 N ATOM 178 CA GLU A 12 8.005 -4.782 -12.612 1.00 64.33 C ATOM 179 C GLU A 12 7.754 -3.359 -13.126 1.00 4.43 C ATOM 180 O GLU A 12 7.888 -2.392 -12.380 1.00 0.51 O ATOM 181 CB GLU A 12 9.415 -5.210 -13.046 1.00 14.53 C ATOM 182 CG GLU A 12 9.818 -6.613 -12.609 1.00 65.23 C ATOM 183 CD GLU A 12 11.230 -6.965 -13.048 1.00 12.34 C ATOM 184 OE1 GLU A 12 11.444 -7.190 -14.259 1.00 14.43 O ATOM 185 OE2 GLU A 12 12.137 -6.993 -12.193 1.00 31.40 O ATOM 0 H GLU A 12 7.402 -6.552 -13.568 1.00 73.24 H new ATOM 0 HA GLU A 12 7.923 -4.778 -11.525 1.00 64.33 H new ATOM 0 HB2 GLU A 12 9.480 -5.150 -14.132 1.00 14.53 H new ATOM 0 HB3 GLU A 12 10.136 -4.498 -12.644 1.00 14.53 H new ATOM 0 HG2 GLU A 12 9.747 -6.689 -11.524 1.00 65.23 H new ATOM 0 HG3 GLU A 12 9.118 -7.337 -13.026 1.00 65.23 H new ATOM 192 N GLU A 13 7.387 -3.242 -14.401 1.00 45.21 N ATOM 193 CA GLU A 13 7.267 -1.933 -15.064 1.00 34.25 C ATOM 194 C GLU A 13 6.379 -0.945 -14.286 1.00 61.14 C ATOM 195 O GLU A 13 6.649 0.253 -14.269 1.00 51.04 O ATOM 196 CB GLU A 13 6.741 -2.107 -16.496 1.00 12.51 C ATOM 197 CG GLU A 13 5.342 -2.709 -16.590 1.00 22.52 C ATOM 198 CD GLU A 13 4.887 -2.884 -18.030 1.00 33.31 C ATOM 199 OE1 GLU A 13 4.532 -1.871 -18.671 1.00 3.34 O ATOM 200 OE2 GLU A 13 4.896 -4.026 -18.530 1.00 55.40 O ATOM 0 H GLU A 13 7.166 -4.036 -15.001 1.00 45.21 H new ATOM 0 HA GLU A 13 8.268 -1.502 -15.092 1.00 34.25 H new ATOM 0 HB2 GLU A 13 6.738 -1.135 -16.988 1.00 12.51 H new ATOM 0 HB3 GLU A 13 7.433 -2.742 -17.049 1.00 12.51 H new ATOM 0 HG2 GLU A 13 5.330 -3.676 -16.087 1.00 22.52 H new ATOM 0 HG3 GLU A 13 4.636 -2.067 -16.063 1.00 22.52 H new ATOM 207 N THR A 14 5.326 -1.444 -13.641 1.00 4.45 N ATOM 208 CA THR A 14 4.432 -0.584 -12.847 1.00 34.23 C ATOM 209 C THR A 14 4.993 -0.334 -11.441 1.00 75.34 C ATOM 210 O THR A 14 5.022 0.804 -10.970 1.00 10.14 O ATOM 211 CB THR A 14 3.010 -1.184 -12.728 1.00 61.32 C ATOM 212 OG1 THR A 14 2.426 -1.349 -14.034 1.00 22.34 O ATOM 213 CG2 THR A 14 2.108 -0.293 -11.881 1.00 32.35 C ATOM 0 H THR A 14 5.067 -2.431 -13.648 1.00 4.45 H new ATOM 0 HA THR A 14 4.369 0.365 -13.380 1.00 34.23 H new ATOM 0 HB THR A 14 3.099 -2.156 -12.243 1.00 61.32 H new ATOM 0 HG1 THR A 14 1.528 -1.731 -13.945 1.00 22.34 H new ATOM 0 HG21 THR A 14 1.115 -0.739 -11.814 1.00 32.35 H new ATOM 0 HG22 THR A 14 2.530 -0.194 -10.881 1.00 32.35 H new ATOM 0 HG23 THR A 14 2.033 0.692 -12.342 1.00 32.35 H new ATOM 221 N LEU A 15 5.449 -1.398 -10.779 1.00 74.41 N ATOM 222 CA LEU A 15 6.028 -1.280 -9.432 1.00 74.41 C ATOM 223 C LEU A 15 7.269 -0.366 -9.443 1.00 24.21 C ATOM 224 O LEU A 15 7.601 0.277 -8.442 1.00 63.01 O ATOM 225 CB LEU A 15 6.385 -2.671 -8.885 1.00 63.32 C ATOM 226 CG LEU A 15 6.899 -2.703 -7.435 1.00 61.45 C ATOM 227 CD1 LEU A 15 5.875 -2.089 -6.478 1.00 60.33 C ATOM 228 CD2 LEU A 15 7.235 -4.132 -7.013 1.00 24.33 C ATOM 0 H LEU A 15 5.431 -2.349 -11.148 1.00 74.41 H new ATOM 0 HA LEU A 15 5.284 -0.827 -8.777 1.00 74.41 H new ATOM 0 HB2 LEU A 15 5.502 -3.306 -8.953 1.00 63.32 H new ATOM 0 HB3 LEU A 15 7.145 -3.112 -9.531 1.00 63.32 H new ATOM 0 HG LEU A 15 7.810 -2.106 -7.388 1.00 61.45 H new ATOM 0 HD11 LEU A 15 6.262 -2.124 -5.460 1.00 60.33 H new ATOM 0 HD12 LEU A 15 5.689 -1.053 -6.760 1.00 60.33 H new ATOM 0 HD13 LEU A 15 4.944 -2.653 -6.531 1.00 60.33 H new ATOM 0 HD21 LEU A 15 7.597 -4.132 -5.985 1.00 24.33 H new ATOM 0 HD22 LEU A 15 6.341 -4.752 -7.084 1.00 24.33 H new ATOM 0 HD23 LEU A 15 8.007 -4.533 -7.669 1.00 24.33 H new ATOM 240 N ARG A 16 7.938 -0.324 -10.593 1.00 11.21 N ATOM 241 CA ARG A 16 9.066 0.583 -10.836 1.00 5.11 C ATOM 242 C ARG A 16 8.700 2.037 -10.486 1.00 1.12 C ATOM 243 O ARG A 16 9.487 2.755 -9.866 1.00 63.30 O ATOM 244 CB ARG A 16 9.483 0.479 -12.313 1.00 31.30 C ATOM 245 CG ARG A 16 10.604 1.424 -12.738 1.00 62.43 C ATOM 246 CD ARG A 16 11.932 1.093 -12.066 1.00 20.22 C ATOM 247 NE ARG A 16 13.013 1.935 -12.573 1.00 2.24 N ATOM 248 CZ ARG A 16 14.257 1.839 -12.197 1.00 45.42 C ATOM 249 NH1 ARG A 16 14.624 0.948 -11.330 1.00 5.45 N ATOM 250 NH2 ARG A 16 15.142 2.635 -12.705 1.00 1.53 N ATOM 0 H ARG A 16 7.714 -0.920 -11.390 1.00 11.21 H new ATOM 0 HA ARG A 16 9.897 0.290 -10.195 1.00 5.11 H new ATOM 0 HB2 ARG A 16 9.797 -0.545 -12.515 1.00 31.30 H new ATOM 0 HB3 ARG A 16 8.610 0.673 -12.935 1.00 31.30 H new ATOM 0 HG2 ARG A 16 10.726 1.375 -13.820 1.00 62.43 H new ATOM 0 HG3 ARG A 16 10.323 2.449 -12.495 1.00 62.43 H new ATOM 0 HD2 ARG A 16 11.839 1.228 -10.988 1.00 20.22 H new ATOM 0 HD3 ARG A 16 12.176 0.044 -12.236 1.00 20.22 H new ATOM 0 HE ARG A 16 12.779 2.645 -13.267 1.00 2.24 H new ATOM 0 HH11 ARG A 16 13.935 0.310 -10.932 1.00 5.45 H new ATOM 0 HH12 ARG A 16 15.602 0.885 -11.046 1.00 5.45 H new ATOM 0 HH21 ARG A 16 14.864 3.332 -13.395 1.00 1.53 H new ATOM 0 HH22 ARG A 16 16.117 2.565 -12.415 1.00 1.53 H new ATOM 264 N LYS A 17 7.494 2.455 -10.879 1.00 2.12 N ATOM 265 CA LYS A 17 7.006 3.808 -10.582 1.00 0.20 C ATOM 266 C LYS A 17 6.931 4.055 -9.070 1.00 21.25 C ATOM 267 O LYS A 17 7.459 5.046 -8.567 1.00 75.14 O ATOM 268 CB LYS A 17 5.623 4.049 -11.218 1.00 12.41 C ATOM 269 CG LYS A 17 5.654 4.348 -12.719 1.00 62.44 C ATOM 270 CD LYS A 17 5.994 3.117 -13.555 1.00 44.13 C ATOM 271 CE LYS A 17 6.035 3.444 -15.045 1.00 34.11 C ATOM 272 NZ LYS A 17 6.227 2.232 -15.883 1.00 2.13 N ATOM 0 H LYS A 17 6.836 1.878 -11.403 1.00 2.12 H new ATOM 0 HA LYS A 17 7.720 4.510 -11.013 1.00 0.20 H new ATOM 0 HB2 LYS A 17 5.002 3.169 -11.049 1.00 12.41 H new ATOM 0 HB3 LYS A 17 5.142 4.882 -10.705 1.00 12.41 H new ATOM 0 HG2 LYS A 17 4.684 4.736 -13.029 1.00 62.44 H new ATOM 0 HG3 LYS A 17 6.388 5.130 -12.915 1.00 62.44 H new ATOM 0 HD2 LYS A 17 6.960 2.720 -13.242 1.00 44.13 H new ATOM 0 HD3 LYS A 17 5.254 2.337 -13.373 1.00 44.13 H new ATOM 0 HE2 LYS A 17 5.107 3.938 -15.332 1.00 34.11 H new ATOM 0 HE3 LYS A 17 6.844 4.148 -15.238 1.00 34.11 H new ATOM 0 HZ1 LYS A 17 6.824 2.467 -16.701 1.00 2.13 H new ATOM 0 HZ2 LYS A 17 6.688 1.490 -15.319 1.00 2.13 H new ATOM 0 HZ3 LYS A 17 5.303 1.890 -16.216 1.00 2.13 H new ATOM 286 N PHE A 18 6.288 3.138 -8.348 1.00 31.50 N ATOM 287 CA PHE A 18 6.101 3.283 -6.898 1.00 61.41 C ATOM 288 C PHE A 18 7.447 3.375 -6.161 1.00 0.45 C ATOM 289 O PHE A 18 7.633 4.232 -5.297 1.00 63.41 O ATOM 290 CB PHE A 18 5.267 2.115 -6.347 1.00 12.20 C ATOM 291 CG PHE A 18 3.938 1.951 -7.042 1.00 40.24 C ATOM 292 CD1 PHE A 18 3.047 3.012 -7.120 1.00 55.22 C ATOM 293 CD2 PHE A 18 3.585 0.747 -7.630 1.00 23.03 C ATOM 294 CE1 PHE A 18 1.834 2.874 -7.765 1.00 42.35 C ATOM 295 CE2 PHE A 18 2.374 0.603 -8.280 1.00 5.01 C ATOM 296 CZ PHE A 18 1.498 1.668 -8.346 1.00 15.21 C ATOM 0 H PHE A 18 5.887 2.286 -8.740 1.00 31.50 H new ATOM 0 HA PHE A 18 5.564 4.215 -6.724 1.00 61.41 H new ATOM 0 HB2 PHE A 18 5.838 1.192 -6.446 1.00 12.20 H new ATOM 0 HB3 PHE A 18 5.095 2.271 -5.282 1.00 12.20 H new ATOM 0 HD1 PHE A 18 3.306 3.959 -6.670 1.00 55.22 H new ATOM 0 HD2 PHE A 18 4.265 -0.090 -7.580 1.00 23.03 H new ATOM 0 HE1 PHE A 18 1.150 3.708 -7.815 1.00 42.35 H new ATOM 0 HE2 PHE A 18 2.113 -0.341 -8.736 1.00 5.01 H new ATOM 0 HZ PHE A 18 0.550 1.557 -8.852 1.00 15.21 H new ATOM 306 N LYS A 19 8.387 2.495 -6.515 1.00 2.22 N ATOM 307 CA LYS A 19 9.729 2.507 -5.911 1.00 51.13 C ATOM 308 C LYS A 19 10.457 3.843 -6.154 1.00 12.30 C ATOM 309 O LYS A 19 10.979 4.455 -5.221 1.00 64.11 O ATOM 310 CB LYS A 19 10.575 1.346 -6.461 1.00 64.44 C ATOM 311 CG LYS A 19 10.139 -0.035 -5.975 1.00 74.02 C ATOM 312 CD LYS A 19 10.960 -1.149 -6.629 1.00 63.14 C ATOM 313 CE LYS A 19 10.613 -2.528 -6.070 1.00 2.45 C ATOM 314 NZ LYS A 19 11.066 -2.700 -4.661 1.00 4.03 N ATOM 0 H LYS A 19 8.248 1.766 -7.214 1.00 2.22 H new ATOM 0 HA LYS A 19 9.600 2.386 -4.835 1.00 51.13 H new ATOM 0 HB2 LYS A 19 10.533 1.365 -7.550 1.00 64.44 H new ATOM 0 HB3 LYS A 19 11.616 1.505 -6.180 1.00 64.44 H new ATOM 0 HG2 LYS A 19 10.247 -0.091 -4.892 1.00 74.02 H new ATOM 0 HG3 LYS A 19 9.082 -0.183 -6.198 1.00 74.02 H new ATOM 0 HD2 LYS A 19 10.787 -1.141 -7.705 1.00 63.14 H new ATOM 0 HD3 LYS A 19 12.021 -0.953 -6.476 1.00 63.14 H new ATOM 0 HE2 LYS A 19 9.535 -2.678 -6.123 1.00 2.45 H new ATOM 0 HE3 LYS A 19 11.072 -3.296 -6.693 1.00 2.45 H new ATOM 0 HZ1 LYS A 19 10.536 -3.477 -4.218 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 12.082 -2.922 -4.648 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 10.897 -1.821 -4.132 1.00 4.03 H new ATOM 328 N ASP A 20 10.485 4.287 -7.410 1.00 71.50 N ATOM 329 CA ASP A 20 11.173 5.530 -7.775 1.00 4.43 C ATOM 330 C ASP A 20 10.549 6.756 -7.085 1.00 75.54 C ATOM 331 O ASP A 20 11.268 7.622 -6.581 1.00 74.14 O ATOM 332 CB ASP A 20 11.164 5.718 -9.297 1.00 72.02 C ATOM 333 CG ASP A 20 11.818 7.026 -9.713 1.00 13.23 C ATOM 334 OD1 ASP A 20 13.056 7.145 -9.592 1.00 44.52 O ATOM 335 OD2 ASP A 20 11.097 7.953 -10.132 1.00 35.25 O ATOM 0 H ASP A 20 10.041 3.807 -8.193 1.00 71.50 H new ATOM 0 HA ASP A 20 12.203 5.446 -7.429 1.00 4.43 H new ATOM 0 HB2 ASP A 20 11.686 4.885 -9.768 1.00 72.02 H new ATOM 0 HB3 ASP A 20 10.136 5.695 -9.659 1.00 72.02 H new ATOM 340 N ILE A 21 9.219 6.828 -7.066 1.00 63.30 N ATOM 341 CA ILE A 21 8.522 7.957 -6.443 1.00 41.04 C ATOM 342 C ILE A 21 8.843 8.061 -4.943 1.00 71.31 C ATOM 343 O ILE A 21 9.219 9.129 -4.462 1.00 22.51 O ATOM 344 CB ILE A 21 6.988 7.873 -6.659 1.00 70.12 C ATOM 345 CG1 ILE A 21 6.665 7.977 -8.162 1.00 34.44 C ATOM 346 CG2 ILE A 21 6.265 8.971 -5.870 1.00 72.22 C ATOM 347 CD1 ILE A 21 5.197 7.799 -8.495 1.00 21.54 C ATOM 0 H ILE A 21 8.603 6.123 -7.472 1.00 63.30 H new ATOM 0 HA ILE A 21 8.885 8.860 -6.934 1.00 41.04 H new ATOM 0 HB ILE A 21 6.635 6.910 -6.289 1.00 70.12 H new ATOM 0 HG12 ILE A 21 6.993 8.950 -8.526 1.00 34.44 H new ATOM 0 HG13 ILE A 21 7.242 7.224 -8.699 1.00 34.44 H new ATOM 0 HG21 ILE A 21 5.191 8.892 -6.037 1.00 72.22 H new ATOM 0 HG22 ILE A 21 6.476 8.854 -4.807 1.00 72.22 H new ATOM 0 HG23 ILE A 21 6.613 9.948 -6.204 1.00 72.22 H new ATOM 0 HD11 ILE A 21 5.055 7.886 -9.572 1.00 21.54 H new ATOM 0 HD12 ILE A 21 4.866 6.815 -8.164 1.00 21.54 H new ATOM 0 HD13 ILE A 21 4.613 8.568 -7.989 1.00 21.54 H new ATOM 359 N ILE A 22 8.730 6.949 -4.212 1.00 15.43 N ATOM 360 CA ILE A 22 9.062 6.936 -2.777 1.00 53.04 C ATOM 361 C ILE A 22 10.491 7.459 -2.528 1.00 63.40 C ATOM 362 O ILE A 22 10.732 8.254 -1.608 1.00 0.51 O ATOM 363 CB ILE A 22 8.914 5.514 -2.174 1.00 5.22 C ATOM 364 CG1 ILE A 22 7.457 5.033 -2.289 1.00 11.21 C ATOM 365 CG2 ILE A 22 9.373 5.493 -0.716 1.00 13.04 C ATOM 366 CD1 ILE A 22 7.227 3.624 -1.775 1.00 42.20 C ATOM 0 H ILE A 22 8.415 6.052 -4.582 1.00 15.43 H new ATOM 0 HA ILE A 22 8.354 7.600 -2.281 1.00 53.04 H new ATOM 0 HB ILE A 22 9.550 4.833 -2.740 1.00 5.22 H new ATOM 0 HG12 ILE A 22 6.815 5.719 -1.737 1.00 11.21 H new ATOM 0 HG13 ILE A 22 7.151 5.081 -3.334 1.00 11.21 H new ATOM 0 HG21 ILE A 22 9.260 4.486 -0.314 1.00 13.04 H new ATOM 0 HG22 ILE A 22 10.420 5.791 -0.660 1.00 13.04 H new ATOM 0 HG23 ILE A 22 8.766 6.186 -0.134 1.00 13.04 H new ATOM 0 HD11 ILE A 22 6.176 3.361 -1.892 1.00 42.20 H new ATOM 0 HD12 ILE A 22 7.841 2.925 -2.343 1.00 42.20 H new ATOM 0 HD13 ILE A 22 7.499 3.572 -0.721 1.00 42.20 H new ATOM 378 N LYS A 23 11.437 7.024 -3.363 1.00 52.51 N ATOM 379 CA LYS A 23 12.811 7.538 -3.310 1.00 72.23 C ATOM 380 C LYS A 23 12.870 9.017 -3.731 1.00 12.41 C ATOM 381 O LYS A 23 13.740 9.769 -3.290 1.00 75.13 O ATOM 382 CB LYS A 23 13.733 6.718 -4.218 1.00 24.40 C ATOM 383 CG LYS A 23 13.930 5.270 -3.775 1.00 3.40 C ATOM 384 CD LYS A 23 14.955 4.554 -4.653 1.00 33.40 C ATOM 385 CE LYS A 23 16.298 5.276 -4.645 1.00 21.31 C ATOM 386 NZ LYS A 23 17.282 4.648 -5.557 1.00 5.31 N ATOM 0 H LYS A 23 11.279 6.319 -4.083 1.00 52.51 H new ATOM 0 HA LYS A 23 13.149 7.451 -2.278 1.00 72.23 H new ATOM 0 HB2 LYS A 23 13.326 6.724 -5.229 1.00 24.40 H new ATOM 0 HB3 LYS A 23 14.706 7.207 -4.264 1.00 24.40 H new ATOM 0 HG2 LYS A 23 14.259 5.247 -2.736 1.00 3.40 H new ATOM 0 HG3 LYS A 23 12.978 4.741 -3.819 1.00 3.40 H new ATOM 0 HD2 LYS A 23 15.088 3.532 -4.299 1.00 33.40 H new ATOM 0 HD3 LYS A 23 14.580 4.491 -5.675 1.00 33.40 H new ATOM 0 HE2 LYS A 23 16.150 6.316 -4.935 1.00 21.31 H new ATOM 0 HE3 LYS A 23 16.698 5.282 -3.631 1.00 21.31 H new ATOM 0 HZ1 LYS A 23 18.178 5.174 -5.516 1.00 5.31 H new ATOM 0 HZ2 LYS A 23 17.445 3.663 -5.266 1.00 5.31 H new ATOM 0 HZ3 LYS A 23 16.914 4.665 -6.530 1.00 5.31 H new ATOM 400 N LYS A 24 11.936 9.415 -4.591 1.00 11.23 N ATOM 401 CA LYS A 24 11.857 10.794 -5.087 1.00 3.34 C ATOM 402 C LYS A 24 11.390 11.748 -3.977 1.00 52.03 C ATOM 403 O LYS A 24 11.766 12.921 -3.953 1.00 62.43 O ATOM 404 CB LYS A 24 10.896 10.863 -6.284 1.00 31.44 C ATOM 405 CG LYS A 24 11.004 12.142 -7.109 1.00 73.13 C ATOM 406 CD LYS A 24 9.960 12.190 -8.227 1.00 10.23 C ATOM 407 CE LYS A 24 9.960 10.915 -9.072 1.00 63.05 C ATOM 408 NZ LYS A 24 11.297 10.616 -9.650 1.00 42.11 N ATOM 0 H LYS A 24 11.215 8.798 -4.964 1.00 11.23 H new ATOM 0 HA LYS A 24 12.852 11.105 -5.407 1.00 3.34 H new ATOM 0 HB2 LYS A 24 11.084 10.009 -6.935 1.00 31.44 H new ATOM 0 HB3 LYS A 24 9.874 10.766 -5.919 1.00 31.44 H new ATOM 0 HG2 LYS A 24 10.878 13.006 -6.457 1.00 73.13 H new ATOM 0 HG3 LYS A 24 12.002 12.212 -7.541 1.00 73.13 H new ATOM 0 HD2 LYS A 24 8.971 12.336 -7.792 1.00 10.23 H new ATOM 0 HD3 LYS A 24 10.156 13.049 -8.869 1.00 10.23 H new ATOM 0 HE2 LYS A 24 9.637 10.075 -8.457 1.00 63.05 H new ATOM 0 HE3 LYS A 24 9.234 11.017 -9.878 1.00 63.05 H new ATOM 0 HZ1 LYS A 24 11.248 9.734 -10.199 1.00 42.11 H new ATOM 0 HZ2 LYS A 24 11.588 11.396 -10.273 1.00 42.11 H new ATOM 0 HZ3 LYS A 24 11.991 10.508 -8.883 1.00 42.11 H new ATOM 422 N ASN A 25 10.547 11.243 -3.073 1.00 51.23 N ATOM 423 CA ASN A 25 10.146 12.007 -1.885 1.00 35.44 C ATOM 424 C ASN A 25 11.284 12.019 -0.852 1.00 51.55 C ATOM 425 O ASN A 25 11.579 13.049 -0.243 1.00 61.14 O ATOM 426 CB ASN A 25 8.877 11.417 -1.250 1.00 34.32 C ATOM 427 CG ASN A 25 7.771 11.161 -2.260 1.00 32.23 C ATOM 428 OD1 ASN A 25 7.589 10.049 -2.724 1.00 4.34 O ATOM 429 ND2 ASN A 25 7.034 12.189 -2.621 1.00 35.51 N ATOM 0 H ASN A 25 10.130 10.314 -3.138 1.00 51.23 H new ATOM 0 HA ASN A 25 9.932 13.028 -2.200 1.00 35.44 H new ATOM 0 HB2 ASN A 25 9.129 10.482 -0.750 1.00 34.32 H new ATOM 0 HB3 ASN A 25 8.510 12.099 -0.483 1.00 34.32 H new ATOM 0 HD21 ASN A 25 6.288 12.066 -3.306 1.00 35.51 H new ATOM 0 HD22 ASN A 25 7.209 13.109 -2.216 1.00 35.51 H new ATOM 436 N GLY A 26 11.927 10.864 -0.672 1.00 42.11 N ATOM 437 CA GLY A 26 13.054 10.752 0.257 1.00 0.21 C ATOM 438 C GLY A 26 12.849 9.691 1.336 1.00 62.20 C ATOM 439 O GLY A 26 13.373 9.811 2.445 1.00 5.41 O ATOM 0 H GLY A 26 11.689 9.997 -1.154 1.00 42.11 H new ATOM 0 HA2 GLY A 26 13.957 10.517 -0.306 1.00 0.21 H new ATOM 0 HA3 GLY A 26 13.219 11.718 0.735 1.00 0.21 H new ATOM 443 N PHE A 27 12.096 8.640 1.014 1.00 13.11 N ATOM 444 CA PHE A 27 11.798 7.567 1.974 1.00 4.42 C ATOM 445 C PHE A 27 12.414 6.226 1.536 1.00 31.51 C ATOM 446 O PHE A 27 12.985 6.113 0.449 1.00 20.23 O ATOM 447 CB PHE A 27 10.276 7.421 2.151 1.00 51.35 C ATOM 448 CG PHE A 27 9.617 8.620 2.794 1.00 42.22 C ATOM 449 CD1 PHE A 27 9.430 9.796 2.081 1.00 61.23 C ATOM 450 CD2 PHE A 27 9.189 8.571 4.114 1.00 32.32 C ATOM 451 CE1 PHE A 27 8.831 10.892 2.670 1.00 53.31 C ATOM 452 CE2 PHE A 27 8.589 9.666 4.707 1.00 34.41 C ATOM 453 CZ PHE A 27 8.410 10.828 3.983 1.00 61.24 C ATOM 0 H PHE A 27 11.678 8.505 0.094 1.00 13.11 H new ATOM 0 HA PHE A 27 12.246 7.841 2.929 1.00 4.42 H new ATOM 0 HB2 PHE A 27 9.821 7.248 1.175 1.00 51.35 H new ATOM 0 HB3 PHE A 27 10.074 6.538 2.758 1.00 51.35 H new ATOM 0 HD1 PHE A 27 9.757 9.855 1.053 1.00 61.23 H new ATOM 0 HD2 PHE A 27 9.327 7.665 4.685 1.00 32.32 H new ATOM 0 HE1 PHE A 27 8.692 11.800 2.103 1.00 53.31 H new ATOM 0 HE2 PHE A 27 8.261 9.613 5.735 1.00 34.41 H new ATOM 0 HZ PHE A 27 7.941 11.685 4.443 1.00 61.24 H new ATOM 463 N LYS A 28 12.318 5.219 2.405 1.00 62.33 N ATOM 464 CA LYS A 28 12.831 3.871 2.112 1.00 64.22 C ATOM 465 C LYS A 28 11.686 2.916 1.727 1.00 24.34 C ATOM 466 O LYS A 28 10.602 2.970 2.306 1.00 60.44 O ATOM 467 CB LYS A 28 13.598 3.322 3.328 1.00 31.22 C ATOM 468 CG LYS A 28 14.827 4.148 3.740 1.00 24.31 C ATOM 469 CD LYS A 28 16.063 3.874 2.869 1.00 70.32 C ATOM 470 CE LYS A 28 15.958 4.471 1.468 1.00 23.41 C ATOM 471 NZ LYS A 28 15.835 5.953 1.494 1.00 40.33 N ATOM 0 H LYS A 28 11.887 5.308 3.325 1.00 62.33 H new ATOM 0 HA LYS A 28 13.512 3.941 1.264 1.00 64.22 H new ATOM 0 HB2 LYS A 28 12.915 3.265 4.176 1.00 31.22 H new ATOM 0 HB3 LYS A 28 13.919 2.304 3.108 1.00 31.22 H new ATOM 0 HG2 LYS A 28 14.579 5.208 3.684 1.00 24.31 H new ATOM 0 HG3 LYS A 28 15.069 3.932 4.781 1.00 24.31 H new ATOM 0 HD2 LYS A 28 16.945 4.280 3.364 1.00 70.32 H new ATOM 0 HD3 LYS A 28 16.210 2.797 2.788 1.00 70.32 H new ATOM 0 HE2 LYS A 28 16.839 4.192 0.890 1.00 23.41 H new ATOM 0 HE3 LYS A 28 15.094 4.046 0.958 1.00 23.41 H new ATOM 0 HZ1 LYS A 28 14.892 6.229 1.153 1.00 40.33 H new ATOM 0 HZ2 LYS A 28 15.965 6.295 2.468 1.00 40.33 H new ATOM 0 HZ3 LYS A 28 16.562 6.373 0.880 1.00 40.33 H new ATOM 485 N VAL A 29 11.936 2.040 0.754 1.00 32.03 N ATOM 486 CA VAL A 29 10.889 1.158 0.208 1.00 34.23 C ATOM 487 C VAL A 29 11.003 -0.290 0.728 1.00 74.10 C ATOM 488 O VAL A 29 12.082 -0.879 0.722 1.00 62.54 O ATOM 489 CB VAL A 29 10.947 1.119 -1.342 1.00 12.11 C ATOM 490 CG1 VAL A 29 9.777 0.316 -1.915 1.00 42.32 C ATOM 491 CG2 VAL A 29 10.974 2.530 -1.924 1.00 11.41 C ATOM 0 H VAL A 29 12.853 1.918 0.324 1.00 32.03 H new ATOM 0 HA VAL A 29 9.942 1.579 0.544 1.00 34.23 H new ATOM 0 HB VAL A 29 11.872 0.618 -1.629 1.00 12.11 H new ATOM 0 HG11 VAL A 29 9.842 0.305 -3.003 1.00 42.32 H new ATOM 0 HG12 VAL A 29 9.818 -0.706 -1.538 1.00 42.32 H new ATOM 0 HG13 VAL A 29 8.837 0.777 -1.612 1.00 42.32 H new ATOM 0 HG21 VAL A 29 11.015 2.474 -3.012 1.00 11.41 H new ATOM 0 HG22 VAL A 29 10.074 3.066 -1.621 1.00 11.41 H new ATOM 0 HG23 VAL A 29 11.853 3.059 -1.555 1.00 11.41 H new ATOM 501 N ARG A 30 9.881 -0.853 1.181 1.00 73.55 N ATOM 502 CA ARG A 30 9.798 -2.291 1.495 1.00 45.12 C ATOM 503 C ARG A 30 8.649 -2.954 0.714 1.00 11.31 C ATOM 504 O ARG A 30 7.498 -2.918 1.137 1.00 60.14 O ATOM 505 CB ARG A 30 9.600 -2.508 3.006 1.00 21.12 C ATOM 506 CG ARG A 30 10.847 -2.218 3.839 1.00 61.50 C ATOM 507 CD ARG A 30 11.927 -3.286 3.648 1.00 52.33 C ATOM 508 NE ARG A 30 11.610 -4.524 4.366 1.00 23.03 N ATOM 509 CZ ARG A 30 11.633 -5.720 3.835 1.00 42.35 C ATOM 510 NH1 ARG A 30 11.914 -5.894 2.583 1.00 1.53 N ATOM 511 NH2 ARG A 30 11.370 -6.749 4.569 1.00 40.30 N ATOM 0 H ARG A 30 9.014 -0.340 1.340 1.00 73.55 H new ATOM 0 HA ARG A 30 10.738 -2.754 1.195 1.00 45.12 H new ATOM 0 HB2 ARG A 30 8.787 -1.870 3.352 1.00 21.12 H new ATOM 0 HB3 ARG A 30 9.291 -3.539 3.178 1.00 21.12 H new ATOM 0 HG2 ARG A 30 11.249 -1.243 3.563 1.00 61.50 H new ATOM 0 HG3 ARG A 30 10.574 -2.163 4.893 1.00 61.50 H new ATOM 0 HD2 ARG A 30 12.039 -3.502 2.585 1.00 52.33 H new ATOM 0 HD3 ARG A 30 12.884 -2.900 3.997 1.00 52.33 H new ATOM 0 HE ARG A 30 11.353 -4.448 5.350 1.00 23.03 H new ATOM 0 HH11 ARG A 30 12.123 -5.090 1.991 1.00 1.53 H new ATOM 0 HH12 ARG A 30 11.926 -6.835 2.189 1.00 1.53 H new ATOM 0 HH21 ARG A 30 11.146 -6.627 5.557 1.00 40.30 H new ATOM 0 HH22 ARG A 30 11.386 -7.684 4.161 1.00 40.30 H new ATOM 525 N THR A 31 8.968 -3.552 -0.435 1.00 21.53 N ATOM 526 CA THR A 31 7.952 -4.208 -1.275 1.00 73.22 C ATOM 527 C THR A 31 7.738 -5.670 -0.867 1.00 44.31 C ATOM 528 O THR A 31 8.530 -6.548 -1.212 1.00 73.10 O ATOM 529 CB THR A 31 8.314 -4.137 -2.783 1.00 23.33 C ATOM 530 OG1 THR A 31 9.666 -4.579 -3.001 1.00 44.03 O ATOM 531 CG2 THR A 31 8.147 -2.716 -3.315 1.00 63.43 C ATOM 0 H THR A 31 9.916 -3.598 -0.808 1.00 21.53 H new ATOM 0 HA THR A 31 7.023 -3.660 -1.115 1.00 73.22 H new ATOM 0 HB THR A 31 7.633 -4.797 -3.321 1.00 23.33 H new ATOM 0 HG1 THR A 31 9.826 -5.403 -2.495 1.00 44.03 H new ATOM 0 HG21 THR A 31 8.406 -2.691 -4.373 1.00 63.43 H new ATOM 0 HG22 THR A 31 7.112 -2.399 -3.187 1.00 63.43 H new ATOM 0 HG23 THR A 31 8.803 -2.042 -2.765 1.00 63.43 H new ATOM 539 N VAL A 32 6.659 -5.919 -0.126 1.00 64.24 N ATOM 540 CA VAL A 32 6.366 -7.246 0.420 1.00 13.13 C ATOM 541 C VAL A 32 5.346 -8.021 -0.434 1.00 65.33 C ATOM 542 O VAL A 32 4.317 -7.482 -0.835 1.00 11.52 O ATOM 543 CB VAL A 32 5.824 -7.124 1.869 1.00 3.35 C ATOM 544 CG1 VAL A 32 5.392 -8.485 2.419 1.00 23.50 C ATOM 545 CG2 VAL A 32 6.864 -6.471 2.781 1.00 22.05 C ATOM 0 H VAL A 32 5.965 -5.211 0.113 1.00 64.24 H new ATOM 0 HA VAL A 32 7.304 -7.802 0.413 1.00 13.13 H new ATOM 0 HB VAL A 32 4.942 -6.485 1.843 1.00 3.35 H new ATOM 0 HG11 VAL A 32 5.017 -8.364 3.435 1.00 23.50 H new ATOM 0 HG12 VAL A 32 4.605 -8.899 1.789 1.00 23.50 H new ATOM 0 HG13 VAL A 32 6.246 -9.163 2.425 1.00 23.50 H new ATOM 0 HG21 VAL A 32 6.464 -6.395 3.792 1.00 22.05 H new ATOM 0 HG22 VAL A 32 7.769 -7.078 2.793 1.00 22.05 H new ATOM 0 HG23 VAL A 32 7.100 -5.474 2.408 1.00 22.05 H new ATOM 555 N ARG A 33 5.646 -9.292 -0.704 1.00 2.01 N ATOM 556 CA ARG A 33 4.702 -10.199 -1.376 1.00 60.31 C ATOM 557 C ARG A 33 4.743 -11.594 -0.716 1.00 50.34 C ATOM 558 O ARG A 33 4.378 -12.606 -1.317 1.00 65.13 O ATOM 559 CB ARG A 33 5.025 -10.295 -2.882 1.00 21.11 C ATOM 560 CG ARG A 33 3.987 -11.077 -3.690 1.00 23.45 C ATOM 561 CD ARG A 33 4.352 -11.171 -5.167 1.00 62.21 C ATOM 562 NE ARG A 33 3.428 -12.039 -5.891 1.00 52.14 N ATOM 563 CZ ARG A 33 3.624 -12.482 -7.103 1.00 42.21 C ATOM 564 NH1 ARG A 33 4.658 -12.115 -7.796 1.00 11.44 N ATOM 565 NH2 ARG A 33 2.764 -13.292 -7.625 1.00 72.51 N ATOM 0 H ARG A 33 6.540 -9.723 -0.468 1.00 2.01 H new ATOM 0 HA ARG A 33 3.694 -9.798 -1.271 1.00 60.31 H new ATOM 0 HB2 ARG A 33 5.106 -9.288 -3.291 1.00 21.11 H new ATOM 0 HB3 ARG A 33 5.999 -10.769 -3.005 1.00 21.11 H new ATOM 0 HG2 ARG A 33 3.891 -12.081 -3.278 1.00 23.45 H new ATOM 0 HG3 ARG A 33 3.014 -10.596 -3.589 1.00 23.45 H new ATOM 0 HD2 ARG A 33 4.341 -10.175 -5.610 1.00 62.21 H new ATOM 0 HD3 ARG A 33 5.368 -11.553 -5.269 1.00 62.21 H new ATOM 0 HE ARG A 33 2.569 -12.319 -5.417 1.00 52.14 H new ATOM 0 HH11 ARG A 33 5.337 -11.468 -7.395 1.00 11.44 H new ATOM 0 HH12 ARG A 33 4.792 -12.474 -8.741 1.00 11.44 H new ATOM 0 HH21 ARG A 33 1.943 -13.578 -7.091 1.00 72.51 H new ATOM 0 HH22 ARG A 33 2.905 -13.645 -8.571 1.00 72.51 H new ATOM 579 N SER A 34 5.178 -11.635 0.543 1.00 20.43 N ATOM 580 CA SER A 34 5.298 -12.900 1.287 1.00 53.42 C ATOM 581 C SER A 34 4.904 -12.731 2.760 1.00 2.40 C ATOM 582 O SER A 34 5.198 -11.704 3.380 1.00 14.03 O ATOM 583 CB SER A 34 6.728 -13.452 1.199 1.00 23.44 C ATOM 584 OG SER A 34 6.923 -14.541 2.090 1.00 55.13 O ATOM 0 H SER A 34 5.455 -10.809 1.074 1.00 20.43 H new ATOM 0 HA SER A 34 4.610 -13.608 0.825 1.00 53.42 H new ATOM 0 HB2 SER A 34 6.932 -13.775 0.178 1.00 23.44 H new ATOM 0 HB3 SER A 34 7.440 -12.660 1.431 1.00 23.44 H new ATOM 0 HG SER A 34 7.698 -15.067 1.800 1.00 55.13 H new ATOM 590 N PRO A 35 4.245 -13.751 3.341 1.00 44.55 N ATOM 591 CA PRO A 35 3.785 -13.722 4.743 1.00 64.41 C ATOM 592 C PRO A 35 4.927 -13.470 5.748 1.00 2.15 C ATOM 593 O PRO A 35 4.786 -12.664 6.672 1.00 34.43 O ATOM 594 CB PRO A 35 3.164 -15.119 4.954 1.00 53.45 C ATOM 595 CG PRO A 35 3.702 -15.956 3.838 1.00 42.14 C ATOM 596 CD PRO A 35 3.895 -15.019 2.680 1.00 64.13 C ATOM 0 HA PRO A 35 3.086 -12.904 4.917 1.00 64.41 H new ATOM 0 HB2 PRO A 35 3.440 -15.531 5.925 1.00 53.45 H new ATOM 0 HB3 PRO A 35 2.075 -15.075 4.925 1.00 53.45 H new ATOM 0 HG2 PRO A 35 4.643 -16.427 4.121 1.00 42.14 H new ATOM 0 HG3 PRO A 35 3.009 -16.757 3.581 1.00 42.14 H new ATOM 0 HD2 PRO A 35 4.687 -15.359 2.012 1.00 64.13 H new ATOM 0 HD3 PRO A 35 2.990 -14.926 2.080 1.00 64.13 H new ATOM 604 N GLN A 36 6.061 -14.147 5.555 1.00 45.33 N ATOM 605 CA GLN A 36 7.221 -13.973 6.440 1.00 3.41 C ATOM 606 C GLN A 36 7.759 -12.537 6.385 1.00 24.23 C ATOM 607 O GLN A 36 8.194 -11.991 7.397 1.00 20.31 O ATOM 608 CB GLN A 36 8.339 -14.967 6.086 1.00 3.03 C ATOM 609 CG GLN A 36 8.869 -14.843 4.659 1.00 12.40 C ATOM 610 CD GLN A 36 10.090 -15.715 4.413 1.00 54.12 C ATOM 611 OE1 GLN A 36 10.882 -15.965 5.317 1.00 61.23 O ATOM 612 NE2 GLN A 36 10.255 -16.186 3.193 1.00 43.15 N ATOM 0 H GLN A 36 6.203 -14.817 4.800 1.00 45.33 H new ATOM 0 HA GLN A 36 6.883 -14.173 7.457 1.00 3.41 H new ATOM 0 HB2 GLN A 36 9.167 -14.826 6.781 1.00 3.03 H new ATOM 0 HB3 GLN A 36 7.967 -15.981 6.235 1.00 3.03 H new ATOM 0 HG2 GLN A 36 8.082 -15.119 3.957 1.00 12.40 H new ATOM 0 HG3 GLN A 36 9.124 -13.802 4.459 1.00 12.40 H new ATOM 0 HE21 GLN A 36 9.579 -15.960 2.463 1.00 43.15 H new ATOM 0 HE22 GLN A 36 11.059 -16.776 2.979 1.00 43.15 H new ATOM 621 N GLU A 37 7.717 -11.929 5.199 1.00 14.35 N ATOM 622 CA GLU A 37 8.157 -10.539 5.022 1.00 12.53 C ATOM 623 C GLU A 37 7.188 -9.550 5.685 1.00 73.41 C ATOM 624 O GLU A 37 7.607 -8.535 6.243 1.00 2.11 O ATOM 625 CB GLU A 37 8.318 -10.212 3.532 1.00 12.44 C ATOM 626 CG GLU A 37 9.563 -10.826 2.901 1.00 5.24 C ATOM 627 CD GLU A 37 10.847 -10.299 3.526 1.00 65.21 C ATOM 628 OE1 GLU A 37 11.249 -9.161 3.197 1.00 10.30 O ATOM 629 OE2 GLU A 37 11.453 -11.008 4.357 1.00 50.43 O ATOM 0 H GLU A 37 7.383 -12.375 4.345 1.00 14.35 H new ATOM 0 HA GLU A 37 9.125 -10.435 5.513 1.00 12.53 H new ATOM 0 HB2 GLU A 37 7.438 -10.564 2.995 1.00 12.44 H new ATOM 0 HB3 GLU A 37 8.355 -9.130 3.408 1.00 12.44 H new ATOM 0 HG2 GLU A 37 9.526 -11.910 3.011 1.00 5.24 H new ATOM 0 HG3 GLU A 37 9.568 -10.614 1.832 1.00 5.24 H new ATOM 636 N LEU A 38 5.894 -9.852 5.625 1.00 42.22 N ATOM 637 CA LEU A 38 4.884 -9.032 6.304 1.00 13.23 C ATOM 638 C LEU A 38 5.110 -9.059 7.826 1.00 72.21 C ATOM 639 O LEU A 38 5.097 -8.023 8.493 1.00 70.14 O ATOM 640 CB LEU A 38 3.474 -9.535 5.956 1.00 15.24 C ATOM 641 CG LEU A 38 2.315 -8.695 6.519 1.00 44.21 C ATOM 642 CD1 LEU A 38 2.368 -7.265 5.983 1.00 25.35 C ATOM 643 CD2 LEU A 38 0.970 -9.343 6.189 1.00 5.35 C ATOM 0 H LEU A 38 5.517 -10.653 5.118 1.00 42.22 H new ATOM 0 HA LEU A 38 4.978 -8.001 5.962 1.00 13.23 H new ATOM 0 HB2 LEU A 38 3.378 -9.574 4.871 1.00 15.24 H new ATOM 0 HB3 LEU A 38 3.371 -10.557 6.322 1.00 15.24 H new ATOM 0 HG LEU A 38 2.421 -8.655 7.603 1.00 44.21 H new ATOM 0 HD11 LEU A 38 1.538 -6.691 6.395 1.00 25.35 H new ATOM 0 HD12 LEU A 38 3.310 -6.802 6.275 1.00 25.35 H new ATOM 0 HD13 LEU A 38 2.293 -7.281 4.896 1.00 25.35 H new ATOM 0 HD21 LEU A 38 0.163 -8.734 6.596 1.00 5.35 H new ATOM 0 HD22 LEU A 38 0.858 -9.418 5.107 1.00 5.35 H new ATOM 0 HD23 LEU A 38 0.929 -10.340 6.628 1.00 5.35 H new ATOM 655 N LYS A 39 5.333 -10.258 8.360 1.00 61.55 N ATOM 656 CA LYS A 39 5.670 -10.437 9.777 1.00 64.24 C ATOM 657 C LYS A 39 7.037 -9.806 10.112 1.00 64.01 C ATOM 658 O LYS A 39 7.225 -9.233 11.190 1.00 4.31 O ATOM 659 CB LYS A 39 5.675 -11.934 10.119 1.00 75.24 C ATOM 660 CG LYS A 39 6.043 -12.248 11.566 1.00 72.10 C ATOM 661 CD LYS A 39 5.993 -13.749 11.852 1.00 44.20 C ATOM 662 CE LYS A 39 6.933 -14.538 10.941 1.00 11.30 C ATOM 663 NZ LYS A 39 6.905 -15.995 11.242 1.00 61.54 N ATOM 0 H LYS A 39 5.287 -11.129 7.831 1.00 61.55 H new ATOM 0 HA LYS A 39 4.915 -9.930 10.378 1.00 64.24 H new ATOM 0 HB2 LYS A 39 4.687 -12.345 9.910 1.00 75.24 H new ATOM 0 HB3 LYS A 39 6.378 -12.443 9.459 1.00 75.24 H new ATOM 0 HG2 LYS A 39 7.044 -11.871 11.776 1.00 72.10 H new ATOM 0 HG3 LYS A 39 5.359 -11.727 12.236 1.00 72.10 H new ATOM 0 HD2 LYS A 39 6.262 -13.929 12.893 1.00 44.20 H new ATOM 0 HD3 LYS A 39 4.973 -14.109 11.719 1.00 44.20 H new ATOM 0 HE2 LYS A 39 6.650 -14.377 9.901 1.00 11.30 H new ATOM 0 HE3 LYS A 39 7.950 -14.163 11.057 1.00 11.30 H new ATOM 0 HZ1 LYS A 39 7.556 -16.494 10.603 1.00 61.54 H new ATOM 0 HZ2 LYS A 39 7.199 -16.152 12.227 1.00 61.54 H new ATOM 0 HZ3 LYS A 39 5.940 -16.359 11.107 1.00 61.54 H new ATOM 677 N ASP A 40 7.984 -9.912 9.180 1.00 25.32 N ATOM 678 CA ASP A 40 9.318 -9.317 9.344 1.00 43.13 C ATOM 679 C ASP A 40 9.219 -7.791 9.503 1.00 30.23 C ATOM 680 O ASP A 40 9.887 -7.193 10.353 1.00 53.15 O ATOM 681 CB ASP A 40 10.196 -9.671 8.136 1.00 72.23 C ATOM 682 CG ASP A 40 11.649 -9.278 8.331 1.00 53.25 C ATOM 683 OD1 ASP A 40 12.381 -10.031 9.009 1.00 14.42 O ATOM 684 OD2 ASP A 40 12.068 -8.221 7.808 1.00 64.33 O ATOM 0 H ASP A 40 7.854 -10.407 8.297 1.00 25.32 H new ATOM 0 HA ASP A 40 9.772 -9.723 10.248 1.00 43.13 H new ATOM 0 HB2 ASP A 40 10.136 -10.743 7.951 1.00 72.23 H new ATOM 0 HB3 ASP A 40 9.805 -9.172 7.249 1.00 72.23 H new ATOM 689 N SER A 41 8.363 -7.176 8.690 1.00 11.10 N ATOM 690 CA SER A 41 8.122 -5.730 8.758 1.00 24.31 C ATOM 691 C SER A 41 7.591 -5.314 10.141 1.00 43.24 C ATOM 692 O SER A 41 7.811 -4.188 10.587 1.00 51.25 O ATOM 693 CB SER A 41 7.128 -5.298 7.671 1.00 21.51 C ATOM 694 OG SER A 41 6.925 -3.893 7.672 1.00 43.35 O ATOM 0 H SER A 41 7.821 -7.656 7.972 1.00 11.10 H new ATOM 0 HA SER A 41 9.076 -5.230 8.592 1.00 24.31 H new ATOM 0 HB2 SER A 41 7.498 -5.611 6.695 1.00 21.51 H new ATOM 0 HB3 SER A 41 6.175 -5.803 7.828 1.00 21.51 H new ATOM 0 HG SER A 41 6.288 -3.654 6.967 1.00 43.35 H new ATOM 863 N ALA A 51 10.882 6.621 8.429 1.00 40.11 N ATOM 864 CA ALA A 51 10.738 7.018 7.018 1.00 1.30 C ATOM 865 C ALA A 51 10.699 5.803 6.071 1.00 21.01 C ATOM 866 O ALA A 51 11.099 5.890 4.911 1.00 44.23 O ATOM 867 CB ALA A 51 11.867 7.968 6.627 1.00 60.01 C ATOM 0 HA ALA A 51 9.782 7.531 6.915 1.00 1.30 H new ATOM 0 HB1 ALA A 51 11.754 8.257 5.582 1.00 60.01 H new ATOM 0 HB2 ALA A 51 11.828 8.857 7.256 1.00 60.01 H new ATOM 0 HB3 ALA A 51 12.826 7.469 6.763 1.00 60.01 H new ATOM 873 N THR A 52 10.196 4.677 6.569 1.00 41.23 N ATOM 874 CA THR A 52 10.111 3.444 5.773 1.00 63.44 C ATOM 875 C THR A 52 8.671 3.176 5.309 1.00 74.52 C ATOM 876 O THR A 52 7.786 2.914 6.122 1.00 70.24 O ATOM 877 CB THR A 52 10.621 2.218 6.573 1.00 42.44 C ATOM 878 OG1 THR A 52 11.961 2.450 7.038 1.00 11.15 O ATOM 879 CG2 THR A 52 10.595 0.952 5.720 1.00 5.02 C ATOM 0 H THR A 52 9.839 4.587 7.520 1.00 41.23 H new ATOM 0 HA THR A 52 10.747 3.590 4.900 1.00 63.44 H new ATOM 0 HB THR A 52 9.956 2.078 7.425 1.00 42.44 H new ATOM 0 HG1 THR A 52 12.272 1.670 7.543 1.00 11.15 H new ATOM 0 HG21 THR A 52 10.958 0.109 6.308 1.00 5.02 H new ATOM 0 HG22 THR A 52 9.574 0.754 5.394 1.00 5.02 H new ATOM 0 HG23 THR A 52 11.234 1.088 4.848 1.00 5.02 H new ATOM 887 N ILE A 53 8.446 3.255 4.000 1.00 34.01 N ATOM 888 CA ILE A 53 7.127 2.986 3.415 1.00 55.24 C ATOM 889 C ILE A 53 7.023 1.530 2.929 1.00 53.43 C ATOM 890 O ILE A 53 7.868 1.053 2.160 1.00 42.44 O ATOM 891 CB ILE A 53 6.832 3.945 2.232 1.00 24.12 C ATOM 892 CG1 ILE A 53 6.872 5.411 2.706 1.00 22.42 C ATOM 893 CG2 ILE A 53 5.480 3.616 1.593 1.00 61.41 C ATOM 894 CD1 ILE A 53 6.538 6.423 1.628 1.00 52.01 C ATOM 0 H ILE A 53 9.162 3.504 3.318 1.00 34.01 H new ATOM 0 HA ILE A 53 6.388 3.153 4.199 1.00 55.24 H new ATOM 0 HB ILE A 53 7.605 3.808 1.476 1.00 24.12 H new ATOM 0 HG12 ILE A 53 6.172 5.533 3.532 1.00 22.42 H new ATOM 0 HG13 ILE A 53 7.866 5.628 3.096 1.00 22.42 H new ATOM 0 HG21 ILE A 53 5.293 4.300 0.766 1.00 61.41 H new ATOM 0 HG22 ILE A 53 5.493 2.592 1.221 1.00 61.41 H new ATOM 0 HG23 ILE A 53 4.691 3.722 2.337 1.00 61.41 H new ATOM 0 HD11 ILE A 53 6.589 7.429 2.045 1.00 52.01 H new ATOM 0 HD12 ILE A 53 7.253 6.333 0.810 1.00 52.01 H new ATOM 0 HD13 ILE A 53 5.532 6.236 1.253 1.00 52.01 H new ATOM 906 N VAL A 54 5.981 0.828 3.371 1.00 20.22 N ATOM 907 CA VAL A 54 5.796 -0.580 3.012 1.00 63.34 C ATOM 908 C VAL A 54 4.784 -0.752 1.858 1.00 72.34 C ATOM 909 O VAL A 54 3.641 -0.291 1.923 1.00 73.33 O ATOM 910 CB VAL A 54 5.366 -1.424 4.241 1.00 33.23 C ATOM 911 CG1 VAL A 54 4.015 -0.969 4.794 1.00 30.42 C ATOM 912 CG2 VAL A 54 5.356 -2.915 3.896 1.00 4.41 C ATOM 0 H VAL A 54 5.253 1.208 3.976 1.00 20.22 H new ATOM 0 HA VAL A 54 6.762 -0.947 2.665 1.00 63.34 H new ATOM 0 HB VAL A 54 6.102 -1.265 5.029 1.00 33.23 H new ATOM 0 HG11 VAL A 54 3.748 -1.584 5.654 1.00 30.42 H new ATOM 0 HG12 VAL A 54 4.080 0.075 5.101 1.00 30.42 H new ATOM 0 HG13 VAL A 54 3.252 -1.073 4.022 1.00 30.42 H new ATOM 0 HG21 VAL A 54 5.052 -3.489 4.771 1.00 4.41 H new ATOM 0 HG22 VAL A 54 4.654 -3.095 3.082 1.00 4.41 H new ATOM 0 HG23 VAL A 54 6.355 -3.224 3.589 1.00 4.41 H new ATOM 922 N VAL A 55 5.227 -1.412 0.794 1.00 51.40 N ATOM 923 CA VAL A 55 4.398 -1.647 -0.391 1.00 43.14 C ATOM 924 C VAL A 55 4.023 -3.133 -0.519 1.00 3.40 C ATOM 925 O VAL A 55 4.870 -3.973 -0.824 1.00 5.34 O ATOM 926 CB VAL A 55 5.139 -1.195 -1.674 1.00 33.14 C ATOM 927 CG1 VAL A 55 4.274 -1.406 -2.914 1.00 42.44 C ATOM 928 CG2 VAL A 55 5.585 0.262 -1.557 1.00 14.44 C ATOM 0 H VAL A 55 6.168 -1.800 0.725 1.00 51.40 H new ATOM 0 HA VAL A 55 3.486 -1.061 -0.274 1.00 43.14 H new ATOM 0 HB VAL A 55 6.030 -1.814 -1.783 1.00 33.14 H new ATOM 0 HG11 VAL A 55 4.821 -1.080 -3.799 1.00 42.44 H new ATOM 0 HG12 VAL A 55 4.027 -2.463 -3.010 1.00 42.44 H new ATOM 0 HG13 VAL A 55 3.356 -0.826 -2.820 1.00 42.44 H new ATOM 0 HG21 VAL A 55 6.103 0.558 -2.469 1.00 14.44 H new ATOM 0 HG22 VAL A 55 4.713 0.899 -1.412 1.00 14.44 H new ATOM 0 HG23 VAL A 55 6.258 0.369 -0.706 1.00 14.44 H new ATOM 938 N VAL A 56 2.755 -3.454 -0.283 1.00 15.35 N ATOM 939 CA VAL A 56 2.282 -4.839 -0.342 1.00 33.13 C ATOM 940 C VAL A 56 1.868 -5.224 -1.772 1.00 10.33 C ATOM 941 O VAL A 56 0.789 -4.856 -2.247 1.00 14.23 O ATOM 942 CB VAL A 56 1.091 -5.070 0.628 1.00 21.13 C ATOM 943 CG1 VAL A 56 0.649 -6.535 0.616 1.00 1.30 C ATOM 944 CG2 VAL A 56 1.460 -4.623 2.044 1.00 42.24 C ATOM 0 H VAL A 56 2.032 -2.774 -0.048 1.00 15.35 H new ATOM 0 HA VAL A 56 3.112 -5.475 -0.033 1.00 33.13 H new ATOM 0 HB VAL A 56 0.251 -4.466 0.285 1.00 21.13 H new ATOM 0 HG11 VAL A 56 -0.186 -6.669 1.304 1.00 1.30 H new ATOM 0 HG12 VAL A 56 0.338 -6.813 -0.391 1.00 1.30 H new ATOM 0 HG13 VAL A 56 1.480 -7.168 0.927 1.00 1.30 H new ATOM 0 HG21 VAL A 56 0.614 -4.792 2.711 1.00 42.24 H new ATOM 0 HG22 VAL A 56 2.318 -5.196 2.394 1.00 42.24 H new ATOM 0 HG23 VAL A 56 1.710 -3.562 2.037 1.00 42.24 H new ATOM 954 N VAL A 57 2.750 -5.942 -2.461 1.00 21.34 N ATOM 955 CA VAL A 57 2.477 -6.418 -3.820 1.00 34.45 C ATOM 956 C VAL A 57 1.599 -7.677 -3.787 1.00 3.44 C ATOM 957 O VAL A 57 1.964 -8.687 -3.182 1.00 34.50 O ATOM 958 CB VAL A 57 3.793 -6.717 -4.583 1.00 33.42 C ATOM 959 CG1 VAL A 57 3.508 -7.145 -6.025 1.00 72.30 C ATOM 960 CG2 VAL A 57 4.723 -5.502 -4.546 1.00 31.25 C ATOM 0 H VAL A 57 3.666 -6.210 -2.101 1.00 21.34 H new ATOM 0 HA VAL A 57 1.944 -5.626 -4.346 1.00 34.45 H new ATOM 0 HB VAL A 57 4.294 -7.546 -4.084 1.00 33.42 H new ATOM 0 HG11 VAL A 57 4.449 -7.348 -6.537 1.00 72.30 H new ATOM 0 HG12 VAL A 57 2.894 -8.046 -6.023 1.00 72.30 H new ATOM 0 HG13 VAL A 57 2.978 -6.346 -6.544 1.00 72.30 H new ATOM 0 HG21 VAL A 57 5.642 -5.730 -5.086 1.00 31.25 H new ATOM 0 HG22 VAL A 57 4.228 -4.651 -5.014 1.00 31.25 H new ATOM 0 HG23 VAL A 57 4.962 -5.258 -3.511 1.00 31.25 H new ATOM 970 N VAL A 58 0.443 -7.613 -4.441 1.00 72.33 N ATOM 971 CA VAL A 58 -0.533 -8.704 -4.394 1.00 74.22 C ATOM 972 C VAL A 58 -0.945 -9.176 -5.801 1.00 74.22 C ATOM 973 O VAL A 58 -1.249 -8.370 -6.679 1.00 12.32 O ATOM 974 CB VAL A 58 -1.801 -8.279 -3.603 1.00 33.30 C ATOM 975 CG1 VAL A 58 -1.435 -7.831 -2.192 1.00 21.12 C ATOM 976 CG2 VAL A 58 -2.564 -7.173 -4.329 1.00 53.43 C ATOM 0 H VAL A 58 0.156 -6.817 -5.011 1.00 72.33 H new ATOM 0 HA VAL A 58 -0.046 -9.535 -3.884 1.00 74.22 H new ATOM 0 HB VAL A 58 -2.452 -9.150 -3.534 1.00 33.30 H new ATOM 0 HG11 VAL A 58 -2.339 -7.538 -1.657 1.00 21.12 H new ATOM 0 HG12 VAL A 58 -0.951 -8.652 -1.664 1.00 21.12 H new ATOM 0 HG13 VAL A 58 -0.754 -6.982 -2.245 1.00 21.12 H new ATOM 0 HG21 VAL A 58 -3.446 -6.898 -3.750 1.00 53.43 H new ATOM 0 HG22 VAL A 58 -1.919 -6.302 -4.444 1.00 53.43 H new ATOM 0 HG23 VAL A 58 -2.872 -7.529 -5.312 1.00 53.43 H new ATOM 986 N ASP A 59 -0.928 -10.489 -6.014 1.00 44.44 N ATOM 987 CA ASP A 59 -1.439 -11.082 -7.257 1.00 14.33 C ATOM 988 C ASP A 59 -2.917 -11.492 -7.104 1.00 34.41 C ATOM 989 O ASP A 59 -3.768 -11.112 -7.912 1.00 4.31 O ATOM 990 CB ASP A 59 -0.575 -12.284 -7.658 1.00 52.02 C ATOM 991 CG ASP A 59 -0.357 -13.247 -6.506 1.00 23.22 C ATOM 992 OD1 ASP A 59 0.616 -13.055 -5.747 1.00 14.53 O ATOM 993 OD2 ASP A 59 -1.165 -14.184 -6.346 1.00 33.13 O ATOM 0 H ASP A 59 -0.566 -11.168 -5.344 1.00 44.44 H new ATOM 0 HA ASP A 59 -1.384 -10.334 -8.048 1.00 14.33 H new ATOM 0 HB2 ASP A 59 -1.052 -12.812 -8.484 1.00 52.02 H new ATOM 0 HB3 ASP A 59 0.390 -11.930 -8.020 1.00 52.02 H new ATOM 998 N ASP A 60 -3.213 -12.273 -6.062 1.00 41.24 N ATOM 999 CA ASP A 60 -4.587 -12.665 -5.740 1.00 70.23 C ATOM 1000 C ASP A 60 -5.129 -11.799 -4.588 1.00 51.30 C ATOM 1001 O ASP A 60 -4.376 -11.394 -3.695 1.00 0.33 O ATOM 1002 CB ASP A 60 -4.618 -14.154 -5.362 1.00 32.33 C ATOM 1003 CG ASP A 60 -6.026 -14.727 -5.338 1.00 41.15 C ATOM 1004 OD1 ASP A 60 -6.728 -14.555 -4.324 1.00 2.12 O ATOM 1005 OD2 ASP A 60 -6.432 -15.362 -6.332 1.00 1.31 O ATOM 0 H ASP A 60 -2.513 -12.649 -5.422 1.00 41.24 H new ATOM 0 HA ASP A 60 -5.224 -12.509 -6.611 1.00 70.23 H new ATOM 0 HB2 ASP A 60 -4.014 -14.717 -6.073 1.00 32.33 H new ATOM 0 HB3 ASP A 60 -4.161 -14.285 -4.381 1.00 32.33 H new ATOM 1010 N LYS A 61 -6.434 -11.520 -4.602 1.00 31.10 N ATOM 1011 CA LYS A 61 -7.047 -10.656 -3.585 1.00 4.54 C ATOM 1012 C LYS A 61 -6.995 -11.297 -2.186 1.00 61.54 C ATOM 1013 O LYS A 61 -7.049 -10.598 -1.174 1.00 31.44 O ATOM 1014 CB LYS A 61 -8.495 -10.315 -3.974 1.00 31.21 C ATOM 1015 CG LYS A 61 -9.202 -9.392 -2.981 1.00 24.42 C ATOM 1016 CD LYS A 61 -10.588 -8.966 -3.467 1.00 30.24 C ATOM 1017 CE LYS A 61 -10.510 -8.089 -4.711 1.00 40.14 C ATOM 1018 NZ LYS A 61 -11.850 -7.588 -5.118 1.00 31.14 N ATOM 0 H LYS A 61 -7.086 -11.876 -5.301 1.00 31.10 H new ATOM 0 HA LYS A 61 -6.469 -9.733 -3.541 1.00 4.54 H new ATOM 0 HB2 LYS A 61 -8.495 -9.844 -4.957 1.00 31.21 H new ATOM 0 HB3 LYS A 61 -9.064 -11.240 -4.064 1.00 31.21 H new ATOM 0 HG2 LYS A 61 -9.297 -9.900 -2.021 1.00 24.42 H new ATOM 0 HG3 LYS A 61 -8.590 -8.506 -2.814 1.00 24.42 H new ATOM 0 HD2 LYS A 61 -11.184 -9.852 -3.684 1.00 30.24 H new ATOM 0 HD3 LYS A 61 -11.100 -8.424 -2.672 1.00 30.24 H new ATOM 0 HE2 LYS A 61 -9.849 -7.244 -4.519 1.00 40.14 H new ATOM 0 HE3 LYS A 61 -10.070 -8.658 -5.530 1.00 40.14 H new ATOM 0 HZ1 LYS A 61 -11.741 -6.715 -5.672 1.00 31.14 H new ATOM 0 HZ2 LYS A 61 -12.329 -8.308 -5.696 1.00 31.14 H new ATOM 0 HZ3 LYS A 61 -12.419 -7.391 -4.270 1.00 31.14 H new ATOM 1032 N GLU A 62 -6.874 -12.627 -2.140 1.00 63.14 N ATOM 1033 CA GLU A 62 -6.721 -13.358 -0.873 1.00 63.13 C ATOM 1034 C GLU A 62 -5.549 -12.793 -0.053 1.00 42.12 C ATOM 1035 O GLU A 62 -5.710 -12.433 1.112 1.00 2.12 O ATOM 1036 CB GLU A 62 -6.520 -14.863 -1.162 1.00 10.22 C ATOM 1037 CG GLU A 62 -6.334 -15.754 0.071 1.00 23.42 C ATOM 1038 CD GLU A 62 -4.914 -15.736 0.630 1.00 33.25 C ATOM 1039 OE1 GLU A 62 -3.970 -16.050 -0.127 1.00 64.51 O ATOM 1040 OE2 GLU A 62 -4.737 -15.414 1.826 1.00 32.03 O ATOM 0 H GLU A 62 -6.879 -13.224 -2.967 1.00 63.14 H new ATOM 0 HA GLU A 62 -7.627 -13.232 -0.280 1.00 63.13 H new ATOM 0 HB2 GLU A 62 -7.381 -15.225 -1.723 1.00 10.22 H new ATOM 0 HB3 GLU A 62 -5.648 -14.978 -1.806 1.00 10.22 H new ATOM 0 HG2 GLU A 62 -7.026 -15.432 0.849 1.00 23.42 H new ATOM 0 HG3 GLU A 62 -6.600 -16.779 -0.188 1.00 23.42 H new ATOM 1047 N TRP A 63 -4.381 -12.702 -0.685 1.00 62.32 N ATOM 1048 CA TRP A 63 -3.183 -12.147 -0.039 1.00 3.25 C ATOM 1049 C TRP A 63 -3.391 -10.668 0.340 1.00 22.05 C ATOM 1050 O TRP A 63 -2.951 -10.217 1.401 1.00 33.33 O ATOM 1051 CB TRP A 63 -1.963 -12.319 -0.968 1.00 10.03 C ATOM 1052 CG TRP A 63 -0.717 -11.607 -0.509 1.00 25.01 C ATOM 1053 CD1 TRP A 63 0.048 -10.749 -1.248 1.00 4.44 C ATOM 1054 CD2 TRP A 63 -0.091 -11.686 0.782 1.00 35.43 C ATOM 1055 NE1 TRP A 63 1.097 -10.283 -0.501 1.00 40.01 N ATOM 1056 CE2 TRP A 63 1.039 -10.843 0.748 1.00 12.30 C ATOM 1057 CE3 TRP A 63 -0.373 -12.384 1.962 1.00 42.53 C ATOM 1058 CZ2 TRP A 63 1.880 -10.677 1.845 1.00 4.01 C ATOM 1059 CZ3 TRP A 63 0.463 -12.219 3.050 1.00 61.31 C ATOM 1060 CH2 TRP A 63 1.579 -11.372 2.984 1.00 52.52 C ATOM 0 H TRP A 63 -4.234 -13.005 -1.648 1.00 62.32 H new ATOM 0 HA TRP A 63 -2.998 -12.694 0.885 1.00 3.25 H new ATOM 0 HB2 TRP A 63 -1.743 -13.382 -1.063 1.00 10.03 H new ATOM 0 HB3 TRP A 63 -2.226 -11.957 -1.962 1.00 10.03 H new ATOM 0 HD1 TRP A 63 -0.147 -10.477 -2.275 1.00 4.44 H new ATOM 0 HE1 TRP A 63 1.807 -9.625 -0.823 1.00 40.01 H new ATOM 0 HE3 TRP A 63 -1.229 -13.040 2.021 1.00 42.53 H new ATOM 0 HZ2 TRP A 63 2.739 -10.023 1.798 1.00 4.01 H new ATOM 0 HZ3 TRP A 63 0.254 -12.751 3.966 1.00 61.31 H new ATOM 0 HH2 TRP A 63 2.214 -11.266 3.851 1.00 52.52 H new ATOM 1071 N ALA A 64 -4.085 -9.924 -0.524 1.00 72.53 N ATOM 1072 CA ALA A 64 -4.404 -8.515 -0.254 1.00 71.34 C ATOM 1073 C ALA A 64 -5.225 -8.357 1.036 1.00 2.41 C ATOM 1074 O ALA A 64 -4.831 -7.634 1.957 1.00 44.11 O ATOM 1075 CB ALA A 64 -5.151 -7.914 -1.439 1.00 45.34 C ATOM 0 H ALA A 64 -4.438 -10.271 -1.416 1.00 72.53 H new ATOM 0 HA ALA A 64 -3.466 -7.978 -0.112 1.00 71.34 H new ATOM 0 HB1 ALA A 64 -5.384 -6.870 -1.231 1.00 45.34 H new ATOM 0 HB2 ALA A 64 -4.528 -7.976 -2.331 1.00 45.34 H new ATOM 0 HB3 ALA A 64 -6.076 -8.466 -1.604 1.00 45.34 H new ATOM 1081 N GLU A 65 -6.364 -9.043 1.097 1.00 51.21 N ATOM 1082 CA GLU A 65 -7.216 -9.038 2.290 1.00 44.54 C ATOM 1083 C GLU A 65 -6.487 -9.636 3.500 1.00 14.14 C ATOM 1084 O GLU A 65 -6.644 -9.165 4.621 1.00 2.34 O ATOM 1085 CB GLU A 65 -8.513 -9.815 2.016 1.00 42.21 C ATOM 1086 CG GLU A 65 -9.482 -9.091 1.084 1.00 55.42 C ATOM 1087 CD GLU A 65 -10.362 -8.064 1.797 1.00 44.12 C ATOM 1088 OE1 GLU A 65 -9.846 -7.270 2.613 1.00 25.20 O ATOM 1089 OE2 GLU A 65 -11.587 -8.063 1.553 1.00 34.22 O ATOM 0 H GLU A 65 -6.722 -9.613 0.331 1.00 51.21 H new ATOM 0 HA GLU A 65 -7.461 -8.002 2.524 1.00 44.54 H new ATOM 0 HB2 GLU A 65 -8.261 -10.782 1.582 1.00 42.21 H new ATOM 0 HB3 GLU A 65 -9.014 -10.012 2.964 1.00 42.21 H new ATOM 0 HG2 GLU A 65 -8.914 -8.589 0.301 1.00 55.42 H new ATOM 0 HG3 GLU A 65 -10.120 -9.826 0.594 1.00 55.42 H new ATOM 1096 N LYS A 66 -5.685 -10.670 3.264 1.00 44.42 N ATOM 1097 CA LYS A 66 -4.877 -11.287 4.324 1.00 10.43 C ATOM 1098 C LYS A 66 -3.980 -10.243 5.006 1.00 13.44 C ATOM 1099 O LYS A 66 -3.782 -10.276 6.222 1.00 32.02 O ATOM 1100 CB LYS A 66 -4.014 -12.416 3.735 1.00 72.31 C ATOM 1101 CG LYS A 66 -3.133 -13.165 4.744 1.00 20.22 C ATOM 1102 CD LYS A 66 -3.913 -14.181 5.586 1.00 54.14 C ATOM 1103 CE LYS A 66 -4.677 -13.533 6.737 1.00 13.34 C ATOM 1104 NZ LYS A 66 -3.770 -12.866 7.712 1.00 74.03 N ATOM 0 H LYS A 66 -5.574 -11.103 2.347 1.00 44.42 H new ATOM 0 HA LYS A 66 -5.551 -11.702 5.073 1.00 10.43 H new ATOM 0 HB2 LYS A 66 -4.671 -13.136 3.247 1.00 72.31 H new ATOM 0 HB3 LYS A 66 -3.373 -11.994 2.961 1.00 72.31 H new ATOM 0 HG2 LYS A 66 -2.336 -13.681 4.209 1.00 20.22 H new ATOM 0 HG3 LYS A 66 -2.656 -12.443 5.407 1.00 20.22 H new ATOM 0 HD2 LYS A 66 -4.615 -14.715 4.945 1.00 54.14 H new ATOM 0 HD3 LYS A 66 -3.221 -14.922 5.987 1.00 54.14 H new ATOM 0 HE2 LYS A 66 -5.379 -12.801 6.338 1.00 13.34 H new ATOM 0 HE3 LYS A 66 -5.266 -14.292 7.252 1.00 13.34 H new ATOM 0 HZ1 LYS A 66 -4.241 -12.803 8.637 1.00 74.03 H new ATOM 0 HZ2 LYS A 66 -2.894 -13.419 7.806 1.00 74.03 H new ATOM 0 HZ3 LYS A 66 -3.541 -11.909 7.375 1.00 74.03 H new ATOM 1118 N ALA A 67 -3.444 -9.322 4.211 1.00 11.44 N ATOM 1119 CA ALA A 67 -2.628 -8.225 4.733 1.00 22.31 C ATOM 1120 C ALA A 67 -3.490 -7.173 5.457 1.00 74.00 C ATOM 1121 O ALA A 67 -3.270 -6.888 6.634 1.00 11.03 O ATOM 1122 CB ALA A 67 -1.836 -7.574 3.603 1.00 34.03 C ATOM 0 H ALA A 67 -3.560 -9.312 3.198 1.00 11.44 H new ATOM 0 HA ALA A 67 -1.933 -8.643 5.462 1.00 22.31 H new ATOM 0 HB1 ALA A 67 -1.233 -6.759 4.004 1.00 34.03 H new ATOM 0 HB2 ALA A 67 -1.184 -8.316 3.142 1.00 34.03 H new ATOM 0 HB3 ALA A 67 -2.525 -7.181 2.855 1.00 34.03 H new ATOM 1128 N ILE A 68 -4.477 -6.614 4.749 1.00 15.00 N ATOM 1129 CA ILE A 68 -5.352 -5.563 5.306 1.00 40.03 C ATOM 1130 C ILE A 68 -6.032 -6.013 6.612 1.00 73.34 C ATOM 1131 O ILE A 68 -6.019 -5.298 7.619 1.00 1.31 O ATOM 1132 CB ILE A 68 -6.444 -5.139 4.286 1.00 42.35 C ATOM 1133 CG1 ILE A 68 -5.799 -4.659 2.972 1.00 24.21 C ATOM 1134 CG2 ILE A 68 -7.345 -4.049 4.873 1.00 40.35 C ATOM 1135 CD1 ILE A 68 -4.860 -3.481 3.138 1.00 3.22 C ATOM 0 H ILE A 68 -4.695 -6.869 3.786 1.00 15.00 H new ATOM 0 HA ILE A 68 -4.708 -4.711 5.522 1.00 40.03 H new ATOM 0 HB ILE A 68 -7.063 -6.010 4.069 1.00 42.35 H new ATOM 0 HG12 ILE A 68 -5.250 -5.488 2.526 1.00 24.21 H new ATOM 0 HG13 ILE A 68 -6.588 -4.385 2.271 1.00 24.21 H new ATOM 0 HG21 ILE A 68 -8.102 -3.769 4.140 1.00 40.35 H new ATOM 0 HG22 ILE A 68 -7.833 -4.425 5.772 1.00 40.35 H new ATOM 0 HG23 ILE A 68 -6.743 -3.176 5.125 1.00 40.35 H new ATOM 0 HD11 ILE A 68 -4.448 -3.205 2.167 1.00 3.22 H new ATOM 0 HD12 ILE A 68 -5.407 -2.635 3.554 1.00 3.22 H new ATOM 0 HD13 ILE A 68 -4.048 -3.755 3.812 1.00 3.22 H new ATOM 1147 N ARG A 69 -6.624 -7.202 6.581 1.00 40.54 N ATOM 1148 CA ARG A 69 -7.262 -7.800 7.761 1.00 4.32 C ATOM 1149 C ARG A 69 -6.267 -7.949 8.926 1.00 32.40 C ATOM 1150 O ARG A 69 -6.606 -7.707 10.086 1.00 70.23 O ATOM 1151 CB ARG A 69 -7.854 -9.166 7.382 1.00 64.15 C ATOM 1152 CG ARG A 69 -9.099 -9.070 6.500 1.00 12.21 C ATOM 1153 CD ARG A 69 -9.447 -10.410 5.854 1.00 10.24 C ATOM 1154 NE ARG A 69 -9.608 -11.482 6.836 1.00 72.41 N ATOM 1155 CZ ARG A 69 -9.097 -12.679 6.709 1.00 72.42 C ATOM 1156 NH1 ARG A 69 -8.393 -12.992 5.665 1.00 42.12 N ATOM 1157 NH2 ARG A 69 -9.300 -13.563 7.628 1.00 41.44 N ATOM 0 H ARG A 69 -6.678 -7.781 5.743 1.00 40.54 H new ATOM 0 HA ARG A 69 -8.059 -7.137 8.097 1.00 4.32 H new ATOM 0 HB2 ARG A 69 -7.095 -9.750 6.862 1.00 64.15 H new ATOM 0 HB3 ARG A 69 -8.105 -9.709 8.293 1.00 64.15 H new ATOM 0 HG2 ARG A 69 -9.942 -8.726 7.099 1.00 12.21 H new ATOM 0 HG3 ARG A 69 -8.936 -8.324 5.722 1.00 12.21 H new ATOM 0 HD2 ARG A 69 -10.369 -10.305 5.282 1.00 10.24 H new ATOM 0 HD3 ARG A 69 -8.663 -10.684 5.148 1.00 10.24 H new ATOM 0 HE ARG A 69 -10.154 -11.283 7.674 1.00 72.41 H new ATOM 0 HH11 ARG A 69 -8.233 -12.301 4.932 1.00 42.12 H new ATOM 0 HH12 ARG A 69 -8.000 -13.929 5.577 1.00 42.12 H new ATOM 0 HH21 ARG A 69 -9.857 -13.326 8.449 1.00 41.44 H new ATOM 0 HH22 ARG A 69 -8.903 -14.498 7.533 1.00 41.44 H new ATOM 1171 N PHE A 70 -5.034 -8.332 8.600 1.00 64.50 N ATOM 1172 CA PHE A 70 -3.974 -8.495 9.604 1.00 50.54 C ATOM 1173 C PHE A 70 -3.544 -7.134 10.188 1.00 71.23 C ATOM 1174 O PHE A 70 -3.303 -7.010 11.392 1.00 73.40 O ATOM 1175 CB PHE A 70 -2.774 -9.218 8.975 1.00 51.21 C ATOM 1176 CG PHE A 70 -1.682 -9.579 9.951 1.00 22.04 C ATOM 1177 CD1 PHE A 70 -1.991 -10.125 11.189 1.00 5.12 C ATOM 1178 CD2 PHE A 70 -0.347 -9.387 9.624 1.00 15.31 C ATOM 1179 CE1 PHE A 70 -0.992 -10.467 12.081 1.00 74.12 C ATOM 1180 CE2 PHE A 70 0.655 -9.727 10.511 1.00 15.31 C ATOM 1181 CZ PHE A 70 0.332 -10.269 11.743 1.00 61.40 C ATOM 0 H PHE A 70 -4.739 -8.537 7.645 1.00 64.50 H new ATOM 0 HA PHE A 70 -4.364 -9.096 10.426 1.00 50.54 H new ATOM 0 HB2 PHE A 70 -3.127 -10.128 8.491 1.00 51.21 H new ATOM 0 HB3 PHE A 70 -2.352 -8.585 8.195 1.00 51.21 H new ATOM 0 HD1 PHE A 70 -3.025 -10.285 11.459 1.00 5.12 H new ATOM 0 HD2 PHE A 70 -0.089 -8.966 8.663 1.00 15.31 H new ATOM 0 HE1 PHE A 70 -1.247 -10.889 13.042 1.00 74.12 H new ATOM 0 HE2 PHE A 70 1.690 -9.570 10.244 1.00 15.31 H new ATOM 0 HZ PHE A 70 1.114 -10.536 12.438 1.00 61.40 H new ATOM 1191 N VAL A 71 -3.459 -6.115 9.332 1.00 41.21 N ATOM 1192 CA VAL A 71 -3.129 -4.754 9.777 1.00 61.03 C ATOM 1193 C VAL A 71 -4.183 -4.220 10.766 1.00 35.43 C ATOM 1194 O VAL A 71 -3.846 -3.590 11.772 1.00 23.00 O ATOM 1195 CB VAL A 71 -3.002 -3.775 8.579 1.00 12.24 C ATOM 1196 CG1 VAL A 71 -2.713 -2.351 9.055 1.00 63.15 C ATOM 1197 CG2 VAL A 71 -1.917 -4.244 7.609 1.00 50.01 C ATOM 0 H VAL A 71 -3.613 -6.203 8.328 1.00 41.21 H new ATOM 0 HA VAL A 71 -2.165 -4.814 10.282 1.00 61.03 H new ATOM 0 HB VAL A 71 -3.957 -3.768 8.054 1.00 12.24 H new ATOM 0 HG11 VAL A 71 -2.630 -1.689 8.193 1.00 63.15 H new ATOM 0 HG12 VAL A 71 -3.525 -2.010 9.697 1.00 63.15 H new ATOM 0 HG13 VAL A 71 -1.778 -2.337 9.615 1.00 63.15 H new ATOM 0 HG21 VAL A 71 -1.845 -3.543 6.777 1.00 50.01 H new ATOM 0 HG22 VAL A 71 -0.960 -4.290 8.128 1.00 50.01 H new ATOM 0 HG23 VAL A 71 -2.172 -5.233 7.229 1.00 50.01 H new ATOM 1207 N LYS A 72 -5.459 -4.485 10.483 1.00 70.33 N ATOM 1208 CA LYS A 72 -6.546 -4.085 11.384 1.00 63.44 C ATOM 1209 C LYS A 72 -6.422 -4.786 12.750 1.00 0.30 C ATOM 1210 O LYS A 72 -6.792 -4.224 13.783 1.00 22.11 O ATOM 1211 CB LYS A 72 -7.915 -4.384 10.751 1.00 30.21 C ATOM 1212 CG LYS A 72 -9.103 -3.939 11.608 1.00 50.32 C ATOM 1213 CD LYS A 72 -10.432 -4.090 10.873 1.00 54.21 C ATOM 1214 CE LYS A 72 -11.613 -3.684 11.751 1.00 23.42 C ATOM 1215 NZ LYS A 72 -11.482 -2.293 12.266 1.00 70.24 N ATOM 0 H LYS A 72 -5.767 -4.973 9.642 1.00 70.33 H new ATOM 0 HA LYS A 72 -6.465 -3.010 11.546 1.00 63.44 H new ATOM 0 HB2 LYS A 72 -7.973 -3.889 9.782 1.00 30.21 H new ATOM 0 HB3 LYS A 72 -7.993 -5.455 10.567 1.00 30.21 H new ATOM 0 HG2 LYS A 72 -9.128 -4.527 12.525 1.00 50.32 H new ATOM 0 HG3 LYS A 72 -8.968 -2.898 11.901 1.00 50.32 H new ATOM 0 HD2 LYS A 72 -10.421 -3.477 9.972 1.00 54.21 H new ATOM 0 HD3 LYS A 72 -10.555 -5.125 10.553 1.00 54.21 H new ATOM 0 HE2 LYS A 72 -12.536 -3.771 11.178 1.00 23.42 H new ATOM 0 HE3 LYS A 72 -11.693 -4.374 12.591 1.00 23.42 H new ATOM 0 HZ1 LYS A 72 -12.370 -2.008 12.727 1.00 70.24 H new ATOM 0 HZ2 LYS A 72 -10.705 -2.250 12.955 1.00 70.24 H new ATOM 0 HZ3 LYS A 72 -11.280 -1.648 11.476 1.00 70.24 H new ATOM 1229 N SER A 73 -5.894 -6.011 12.748 1.00 75.21 N ATOM 1230 CA SER A 73 -5.639 -6.749 13.997 1.00 32.11 C ATOM 1231 C SER A 73 -4.596 -6.027 14.869 1.00 22.52 C ATOM 1232 O SER A 73 -4.678 -6.048 16.100 1.00 4.30 O ATOM 1233 CB SER A 73 -5.161 -8.181 13.696 1.00 4.55 C ATOM 1234 OG SER A 73 -4.875 -8.905 14.890 1.00 74.23 O ATOM 0 H SER A 73 -5.634 -6.516 11.901 1.00 75.21 H new ATOM 0 HA SER A 73 -6.579 -6.795 14.547 1.00 32.11 H new ATOM 0 HB2 SER A 73 -5.927 -8.708 13.126 1.00 4.55 H new ATOM 0 HB3 SER A 73 -4.269 -8.143 13.071 1.00 4.55 H new ATOM 0 HG SER A 73 -4.576 -9.810 14.660 1.00 74.23 H new ATOM 1240 N LEU A 74 -3.628 -5.375 14.219 1.00 0.44 N ATOM 1241 CA LEU A 74 -2.577 -4.624 14.920 1.00 54.00 C ATOM 1242 C LEU A 74 -3.164 -3.442 15.712 1.00 0.24 C ATOM 1243 O LEU A 74 -2.742 -3.158 16.834 1.00 65.31 O ATOM 1244 CB LEU A 74 -1.540 -4.106 13.912 1.00 45.11 C ATOM 1245 CG LEU A 74 -0.868 -5.178 13.037 1.00 74.43 C ATOM 1246 CD1 LEU A 74 0.047 -4.528 12.001 1.00 62.24 C ATOM 1247 CD2 LEU A 74 -0.090 -6.170 13.899 1.00 62.32 C ATOM 0 H LEU A 74 -3.549 -5.351 13.202 1.00 0.44 H new ATOM 0 HA LEU A 74 -2.096 -5.302 15.626 1.00 54.00 H new ATOM 0 HB2 LEU A 74 -2.026 -3.382 13.258 1.00 45.11 H new ATOM 0 HB3 LEU A 74 -0.764 -3.571 14.459 1.00 45.11 H new ATOM 0 HG LEU A 74 -1.648 -5.727 12.509 1.00 74.43 H new ATOM 0 HD11 LEU A 74 0.514 -5.302 11.391 1.00 62.24 H new ATOM 0 HD12 LEU A 74 -0.539 -3.867 11.362 1.00 62.24 H new ATOM 0 HD13 LEU A 74 0.820 -3.951 12.509 1.00 62.24 H new ATOM 0 HD21 LEU A 74 0.377 -6.919 13.260 1.00 62.32 H new ATOM 0 HD22 LEU A 74 0.680 -5.640 14.459 1.00 62.32 H new ATOM 0 HD23 LEU A 74 -0.771 -6.660 14.594 1.00 62.32 H new ATOM 1259 N GLY A 75 -4.136 -2.752 15.115 1.00 42.24 N ATOM 1260 CA GLY A 75 -4.784 -1.624 15.781 1.00 64.42 C ATOM 1261 C GLY A 75 -4.086 -0.285 15.539 1.00 12.33 C ATOM 1262 O GLY A 75 -4.389 0.711 16.203 1.00 30.12 O ATOM 0 H GLY A 75 -4.489 -2.953 14.179 1.00 42.24 H new ATOM 0 HA2 GLY A 75 -5.816 -1.554 15.436 1.00 64.42 H new ATOM 0 HA3 GLY A 75 -4.819 -1.817 16.853 1.00 64.42 H new ATOM 1266 N ALA A 76 -3.155 -0.254 14.587 1.00 63.40 N ATOM 1267 CA ALA A 76 -2.430 0.977 14.246 1.00 24.11 C ATOM 1268 C ALA A 76 -3.035 1.657 13.009 1.00 24.44 C ATOM 1269 O ALA A 76 -3.091 1.065 11.930 1.00 35.54 O ATOM 1270 CB ALA A 76 -0.953 0.666 14.015 1.00 10.12 C ATOM 0 H ALA A 76 -2.882 -1.067 14.035 1.00 63.40 H new ATOM 0 HA ALA A 76 -2.522 1.669 15.083 1.00 24.11 H new ATOM 0 HB1 ALA A 76 -0.423 1.584 13.763 1.00 10.12 H new ATOM 0 HB2 ALA A 76 -0.525 0.238 14.921 1.00 10.12 H new ATOM 0 HB3 ALA A 76 -0.855 -0.046 13.196 1.00 10.12 H new ATOM 1276 N GLN A 77 -3.492 2.900 13.170 1.00 62.33 N ATOM 1277 CA GLN A 77 -4.074 3.654 12.055 1.00 74.03 C ATOM 1278 C GLN A 77 -3.007 4.016 11.006 1.00 55.45 C ATOM 1279 O GLN A 77 -2.174 4.902 11.214 1.00 4.32 O ATOM 1280 CB GLN A 77 -4.791 4.923 12.562 1.00 34.45 C ATOM 1281 CG GLN A 77 -3.917 5.870 13.388 1.00 3.53 C ATOM 1282 CD GLN A 77 -4.648 7.140 13.803 1.00 11.52 C ATOM 1283 OE1 GLN A 77 -5.538 7.620 13.106 1.00 43.41 O ATOM 1284 NE2 GLN A 77 -4.280 7.694 14.940 1.00 73.25 N ATOM 0 H GLN A 77 -3.471 3.405 14.056 1.00 62.33 H new ATOM 0 HA GLN A 77 -4.812 3.013 11.574 1.00 74.03 H new ATOM 0 HB2 GLN A 77 -5.182 5.469 11.704 1.00 34.45 H new ATOM 0 HB3 GLN A 77 -5.647 4.622 13.166 1.00 34.45 H new ATOM 0 HG2 GLN A 77 -3.568 5.349 14.280 1.00 3.53 H new ATOM 0 HG3 GLN A 77 -3.033 6.138 12.809 1.00 3.53 H new ATOM 0 HE21 GLN A 77 -3.537 7.271 15.497 1.00 73.25 H new ATOM 0 HE22 GLN A 77 -4.738 8.546 15.264 1.00 73.25 H new ATOM 1293 N VAL A 78 -3.030 3.306 9.884 1.00 22.44 N ATOM 1294 CA VAL A 78 -2.115 3.581 8.773 1.00 52.43 C ATOM 1295 C VAL A 78 -2.888 4.010 7.520 1.00 13.41 C ATOM 1296 O VAL A 78 -4.044 3.629 7.326 1.00 60.42 O ATOM 1297 CB VAL A 78 -1.234 2.348 8.436 1.00 5.22 C ATOM 1298 CG1 VAL A 78 -0.357 1.966 9.628 1.00 23.31 C ATOM 1299 CG2 VAL A 78 -2.096 1.166 7.992 1.00 74.14 C ATOM 0 H VAL A 78 -3.673 2.532 9.716 1.00 22.44 H new ATOM 0 HA VAL A 78 -1.465 4.395 9.093 1.00 52.43 H new ATOM 0 HB VAL A 78 -0.580 2.617 7.607 1.00 5.22 H new ATOM 0 HG11 VAL A 78 0.252 1.100 9.369 1.00 23.31 H new ATOM 0 HG12 VAL A 78 0.293 2.803 9.884 1.00 23.31 H new ATOM 0 HG13 VAL A 78 -0.989 1.723 10.482 1.00 23.31 H new ATOM 0 HG21 VAL A 78 -1.455 0.315 7.762 1.00 74.14 H new ATOM 0 HG22 VAL A 78 -2.784 0.896 8.793 1.00 74.14 H new ATOM 0 HG23 VAL A 78 -2.664 1.443 7.104 1.00 74.14 H new ATOM 1309 N LEU A 79 -2.249 4.814 6.684 1.00 20.31 N ATOM 1310 CA LEU A 79 -2.855 5.270 5.435 1.00 74.23 C ATOM 1311 C LEU A 79 -2.575 4.270 4.304 1.00 53.14 C ATOM 1312 O LEU A 79 -1.433 3.875 4.081 1.00 52.34 O ATOM 1313 CB LEU A 79 -2.321 6.669 5.091 1.00 53.42 C ATOM 1314 CG LEU A 79 -2.808 7.284 3.768 1.00 73.15 C ATOM 1315 CD1 LEU A 79 -4.309 7.088 3.583 1.00 34.13 C ATOM 1316 CD2 LEU A 79 -2.473 8.770 3.730 1.00 64.13 C ATOM 0 H LEU A 79 -1.306 5.168 6.846 1.00 20.31 H new ATOM 0 HA LEU A 79 -3.937 5.330 5.556 1.00 74.23 H new ATOM 0 HB2 LEU A 79 -2.591 7.346 5.902 1.00 53.42 H new ATOM 0 HB3 LEU A 79 -1.232 6.622 5.065 1.00 53.42 H new ATOM 0 HG LEU A 79 -2.296 6.773 2.952 1.00 73.15 H new ATOM 0 HD11 LEU A 79 -4.621 7.534 2.639 1.00 34.13 H new ATOM 0 HD12 LEU A 79 -4.538 6.022 3.574 1.00 34.13 H new ATOM 0 HD13 LEU A 79 -4.842 7.567 4.404 1.00 34.13 H new ATOM 0 HD21 LEU A 79 -2.821 9.198 2.790 1.00 64.13 H new ATOM 0 HD22 LEU A 79 -2.964 9.275 4.562 1.00 64.13 H new ATOM 0 HD23 LEU A 79 -1.394 8.902 3.811 1.00 64.13 H new ATOM 1328 N ILE A 80 -3.625 3.850 3.605 1.00 44.53 N ATOM 1329 CA ILE A 80 -3.501 2.821 2.570 1.00 43.11 C ATOM 1330 C ILE A 80 -3.727 3.387 1.159 1.00 13.13 C ATOM 1331 O ILE A 80 -4.702 4.093 0.905 1.00 12.24 O ATOM 1332 CB ILE A 80 -4.497 1.658 2.823 1.00 2.14 C ATOM 1333 CG1 ILE A 80 -4.280 1.067 4.229 1.00 65.31 C ATOM 1334 CG2 ILE A 80 -4.351 0.573 1.753 1.00 25.14 C ATOM 1335 CD1 ILE A 80 -5.258 -0.032 4.595 1.00 62.24 C ATOM 0 H ILE A 80 -4.573 4.204 3.734 1.00 44.53 H new ATOM 0 HA ILE A 80 -2.479 2.445 2.627 1.00 43.11 H new ATOM 0 HB ILE A 80 -5.511 2.054 2.764 1.00 2.14 H new ATOM 0 HG12 ILE A 80 -3.266 0.673 4.293 1.00 65.31 H new ATOM 0 HG13 ILE A 80 -4.358 1.868 4.964 1.00 65.31 H new ATOM 0 HG21 ILE A 80 -5.059 -0.231 1.952 1.00 25.14 H new ATOM 0 HG22 ILE A 80 -4.554 1.001 0.771 1.00 25.14 H new ATOM 0 HG23 ILE A 80 -3.336 0.176 1.773 1.00 25.14 H new ATOM 0 HD11 ILE A 80 -5.038 -0.395 5.599 1.00 62.24 H new ATOM 0 HD12 ILE A 80 -6.274 0.361 4.565 1.00 62.24 H new ATOM 0 HD13 ILE A 80 -5.165 -0.853 3.884 1.00 62.24 H new ATOM 1347 N ILE A 81 -2.811 3.078 0.247 1.00 25.44 N ATOM 1348 CA ILE A 81 -2.958 3.441 -1.166 1.00 71.43 C ATOM 1349 C ILE A 81 -3.099 2.176 -2.026 1.00 22.44 C ATOM 1350 O ILE A 81 -2.225 1.311 -2.006 1.00 53.51 O ATOM 1351 CB ILE A 81 -1.749 4.265 -1.676 1.00 20.21 C ATOM 1352 CG1 ILE A 81 -1.528 5.502 -0.789 1.00 12.44 C ATOM 1353 CG2 ILE A 81 -1.959 4.680 -3.134 1.00 52.11 C ATOM 1354 CD1 ILE A 81 -0.349 6.357 -1.216 1.00 64.13 C ATOM 0 H ILE A 81 -1.951 2.573 0.460 1.00 25.44 H new ATOM 0 HA ILE A 81 -3.855 4.054 -1.251 1.00 71.43 H new ATOM 0 HB ILE A 81 -0.858 3.639 -1.622 1.00 20.21 H new ATOM 0 HG12 ILE A 81 -2.431 6.112 -0.801 1.00 12.44 H new ATOM 0 HG13 ILE A 81 -1.376 5.177 0.240 1.00 12.44 H new ATOM 0 HG21 ILE A 81 -1.100 5.258 -3.475 1.00 52.11 H new ATOM 0 HG22 ILE A 81 -2.067 3.790 -3.754 1.00 52.11 H new ATOM 0 HG23 ILE A 81 -2.860 5.288 -3.213 1.00 52.11 H new ATOM 0 HD11 ILE A 81 -0.256 7.210 -0.544 1.00 64.13 H new ATOM 0 HD12 ILE A 81 0.564 5.763 -1.177 1.00 64.13 H new ATOM 0 HD13 ILE A 81 -0.507 6.713 -2.234 1.00 64.13 H new ATOM 1366 N ILE A 82 -4.194 2.065 -2.772 1.00 71.45 N ATOM 1367 CA ILE A 82 -4.467 0.858 -3.565 1.00 4.11 C ATOM 1368 C ILE A 82 -4.409 1.138 -5.076 1.00 31.32 C ATOM 1369 O ILE A 82 -5.041 2.072 -5.575 1.00 74.32 O ATOM 1370 CB ILE A 82 -5.853 0.257 -3.209 1.00 62.32 C ATOM 1371 CG1 ILE A 82 -5.935 -0.039 -1.702 1.00 23.35 C ATOM 1372 CG2 ILE A 82 -6.114 -1.015 -4.015 1.00 1.34 C ATOM 1373 CD1 ILE A 82 -7.280 -0.574 -1.250 1.00 22.12 C ATOM 0 H ILE A 82 -4.908 2.790 -2.848 1.00 71.45 H new ATOM 0 HA ILE A 82 -3.686 0.139 -3.316 1.00 4.11 H new ATOM 0 HB ILE A 82 -6.620 0.988 -3.465 1.00 62.32 H new ATOM 0 HG12 ILE A 82 -5.162 -0.762 -1.442 1.00 23.35 H new ATOM 0 HG13 ILE A 82 -5.715 0.875 -1.150 1.00 23.35 H new ATOM 0 HG21 ILE A 82 -7.091 -1.420 -3.750 1.00 1.34 H new ATOM 0 HG22 ILE A 82 -6.095 -0.782 -5.080 1.00 1.34 H new ATOM 0 HG23 ILE A 82 -5.343 -1.752 -3.791 1.00 1.34 H new ATOM 0 HD11 ILE A 82 -7.256 -0.757 -0.176 1.00 22.12 H new ATOM 0 HD12 ILE A 82 -8.057 0.156 -1.476 1.00 22.12 H new ATOM 0 HD13 ILE A 82 -7.495 -1.506 -1.772 1.00 22.12 H new ATOM 1385 N TYR A 83 -3.646 0.318 -5.795 1.00 51.54 N ATOM 1386 CA TYR A 83 -3.542 0.423 -7.255 1.00 75.14 C ATOM 1387 C TYR A 83 -4.057 -0.850 -7.942 1.00 32.03 C ATOM 1388 O TYR A 83 -3.557 -1.950 -7.690 1.00 53.24 O ATOM 1389 CB TYR A 83 -2.084 0.677 -7.671 1.00 24.51 C ATOM 1390 CG TYR A 83 -1.864 0.649 -9.177 1.00 62.24 C ATOM 1391 CD1 TYR A 83 -2.043 1.792 -9.951 1.00 34.02 C ATOM 1392 CD2 TYR A 83 -1.480 -0.524 -9.822 1.00 63.41 C ATOM 1393 CE1 TYR A 83 -1.849 1.764 -11.320 1.00 61.35 C ATOM 1394 CE2 TYR A 83 -1.285 -0.557 -11.188 1.00 40.22 C ATOM 1395 CZ TYR A 83 -1.469 0.588 -11.934 1.00 32.32 C ATOM 1396 OH TYR A 83 -1.271 0.556 -13.296 1.00 53.12 O ATOM 0 H TYR A 83 -3.086 -0.432 -5.390 1.00 51.54 H new ATOM 0 HA TYR A 83 -4.161 1.263 -7.571 1.00 75.14 H new ATOM 0 HB2 TYR A 83 -1.769 1.646 -7.285 1.00 24.51 H new ATOM 0 HB3 TYR A 83 -1.446 -0.075 -7.205 1.00 24.51 H new ATOM 0 HD1 TYR A 83 -2.338 2.715 -9.475 1.00 34.02 H new ATOM 0 HD2 TYR A 83 -1.332 -1.424 -9.243 1.00 63.41 H new ATOM 0 HE1 TYR A 83 -1.994 2.659 -11.906 1.00 61.35 H new ATOM 0 HE2 TYR A 83 -0.989 -1.477 -11.671 1.00 40.22 H new ATOM 0 HH TYR A 83 -1.006 -0.348 -13.567 1.00 53.12 H new ATOM 1406 N ASP A 84 -5.043 -0.691 -8.820 1.00 11.02 N ATOM 1407 CA ASP A 84 -5.550 -1.800 -9.634 1.00 1.04 C ATOM 1408 C ASP A 84 -5.856 -1.326 -11.059 1.00 25.13 C ATOM 1409 O ASP A 84 -6.019 -0.129 -11.313 1.00 73.41 O ATOM 1410 CB ASP A 84 -6.797 -2.435 -8.993 1.00 52.34 C ATOM 1411 CG ASP A 84 -7.271 -3.666 -9.755 1.00 71.11 C ATOM 1412 OD1 ASP A 84 -6.410 -4.460 -10.190 1.00 51.24 O ATOM 1413 OD2 ASP A 84 -8.494 -3.839 -9.935 1.00 32.43 O ATOM 0 H ASP A 84 -5.511 0.199 -8.989 1.00 11.02 H new ATOM 0 HA ASP A 84 -4.774 -2.564 -9.683 1.00 1.04 H new ATOM 0 HB2 ASP A 84 -6.573 -2.711 -7.963 1.00 52.34 H new ATOM 0 HB3 ASP A 84 -7.600 -1.699 -8.958 1.00 52.34 H new ATOM 1418 N GLN A 85 -5.922 -2.272 -11.982 1.00 53.22 N ATOM 1419 CA GLN A 85 -6.147 -1.977 -13.397 1.00 52.43 C ATOM 1420 C GLN A 85 -7.638 -1.743 -13.707 1.00 4.04 C ATOM 1421 O GLN A 85 -7.982 -1.122 -14.714 1.00 41.34 O ATOM 1422 CB GLN A 85 -5.598 -3.135 -14.240 1.00 35.14 C ATOM 1423 CG GLN A 85 -4.115 -3.411 -14.009 1.00 61.21 C ATOM 1424 CD GLN A 85 -3.589 -4.573 -14.835 1.00 42.43 C ATOM 1425 OE1 GLN A 85 -3.643 -5.726 -14.417 1.00 41.30 O ATOM 1426 NE2 GLN A 85 -3.063 -4.283 -16.007 1.00 23.03 N ATOM 0 H GLN A 85 -5.822 -3.266 -11.777 1.00 53.22 H new ATOM 0 HA GLN A 85 -5.624 -1.054 -13.645 1.00 52.43 H new ATOM 0 HB2 GLN A 85 -6.166 -4.038 -14.015 1.00 35.14 H new ATOM 0 HB3 GLN A 85 -5.757 -2.912 -15.295 1.00 35.14 H new ATOM 0 HG2 GLN A 85 -3.543 -2.515 -14.249 1.00 61.21 H new ATOM 0 HG3 GLN A 85 -3.951 -3.621 -12.952 1.00 61.21 H new ATOM 0 HE21 GLN A 85 -3.033 -3.315 -16.327 1.00 23.03 H new ATOM 0 HE22 GLN A 85 -2.686 -5.026 -16.595 1.00 23.03 H new ATOM 1435 N ASP A 86 -8.517 -2.232 -12.830 1.00 61.53 N ATOM 1436 CA ASP A 86 -9.967 -2.128 -13.037 1.00 13.23 C ATOM 1437 C ASP A 86 -10.609 -1.034 -12.165 1.00 51.52 C ATOM 1438 O ASP A 86 -9.967 -0.441 -11.298 1.00 64.51 O ATOM 1439 CB ASP A 86 -10.630 -3.476 -12.734 1.00 44.33 C ATOM 1440 CG ASP A 86 -10.358 -4.511 -13.809 1.00 2.21 C ATOM 1441 OD1 ASP A 86 -9.296 -5.160 -13.766 1.00 32.33 O ATOM 1442 OD2 ASP A 86 -11.209 -4.671 -14.712 1.00 0.15 O ATOM 0 H ASP A 86 -8.251 -2.706 -11.967 1.00 61.53 H new ATOM 0 HA ASP A 86 -10.126 -1.852 -14.079 1.00 13.23 H new ATOM 0 HB2 ASP A 86 -10.268 -3.848 -11.776 1.00 44.33 H new ATOM 0 HB3 ASP A 86 -11.706 -3.334 -12.635 1.00 44.33 H new ATOM 1447 N GLN A 87 -11.892 -0.770 -12.416 1.00 10.25 N ATOM 1448 CA GLN A 87 -12.669 0.176 -11.605 1.00 24.03 C ATOM 1449 C GLN A 87 -13.606 -0.567 -10.640 1.00 31.30 C ATOM 1450 O GLN A 87 -13.522 -0.398 -9.425 1.00 75.30 O ATOM 1451 CB GLN A 87 -13.485 1.107 -12.509 1.00 15.52 C ATOM 1452 CG GLN A 87 -12.638 1.969 -13.442 1.00 71.40 C ATOM 1453 CD GLN A 87 -13.483 2.844 -14.354 1.00 1.34 C ATOM 1454 OE1 GLN A 87 -14.584 3.253 -13.998 1.00 12.53 O ATOM 1455 NE2 GLN A 87 -12.982 3.136 -15.538 1.00 21.05 N ATOM 0 H GLN A 87 -12.419 -1.198 -13.177 1.00 10.25 H new ATOM 0 HA GLN A 87 -11.969 0.770 -11.018 1.00 24.03 H new ATOM 0 HB2 GLN A 87 -14.169 0.506 -13.108 1.00 15.52 H new ATOM 0 HB3 GLN A 87 -14.096 1.759 -11.884 1.00 15.52 H new ATOM 0 HG2 GLN A 87 -11.977 2.601 -12.848 1.00 71.40 H new ATOM 0 HG3 GLN A 87 -12.002 1.325 -14.049 1.00 71.40 H new ATOM 0 HE21 GLN A 87 -12.064 2.781 -15.805 1.00 21.05 H new ATOM 0 HE22 GLN A 87 -13.513 3.717 -16.187 1.00 21.05 H new ATOM 1464 N ASN A 88 -14.489 -1.404 -11.189 1.00 74.24 N ATOM 1465 CA ASN A 88 -15.456 -2.156 -10.375 1.00 3.33 C ATOM 1466 C ASN A 88 -14.747 -3.107 -9.393 1.00 72.43 C ATOM 1467 O ASN A 88 -15.046 -3.112 -8.199 1.00 4.35 O ATOM 1468 CB ASN A 88 -16.423 -2.939 -11.277 1.00 40.01 C ATOM 1469 CG ASN A 88 -17.506 -3.676 -10.499 1.00 60.31 C ATOM 1470 OD1 ASN A 88 -17.939 -3.118 -9.383 1.00 71.10 O flip ATOM 1471 ND2 ASN A 88 -17.966 -4.738 -10.906 1.00 44.33 N flip ATOM 0 H ASN A 88 -14.557 -1.580 -12.191 1.00 74.24 H new ATOM 0 HA ASN A 88 -16.027 -1.437 -9.788 1.00 3.33 H new ATOM 0 HB2 ASN A 88 -16.894 -2.250 -11.978 1.00 40.01 H new ATOM 0 HB3 ASN A 88 -15.856 -3.658 -11.868 1.00 40.01 H new ATOM 0 HD21 ASN A 88 -17.614 -5.148 -11.771 1.00 44.33 H new ATOM 0 HD22 ASN A 88 -18.700 -5.211 -10.379 1.00 44.33 H new ATOM 1478 N ARG A 89 -13.803 -3.905 -9.899 1.00 2.35 N ATOM 1479 CA ARG A 89 -13.017 -4.811 -9.048 1.00 12.22 C ATOM 1480 C ARG A 89 -12.251 -4.033 -7.958 1.00 0.00 C ATOM 1481 O ARG A 89 -12.131 -4.490 -6.812 1.00 61.43 O ATOM 1482 CB ARG A 89 -12.030 -5.626 -9.900 1.00 34.33 C ATOM 1483 CG ARG A 89 -11.246 -6.669 -9.104 1.00 24.12 C ATOM 1484 CD ARG A 89 -10.294 -7.470 -9.986 1.00 30.23 C ATOM 1485 NE ARG A 89 -9.238 -6.639 -10.559 1.00 54.13 N ATOM 1486 CZ ARG A 89 -8.291 -7.092 -11.333 1.00 70.32 C ATOM 1487 NH1 ARG A 89 -8.226 -8.349 -11.642 1.00 25.43 N ATOM 1488 NH2 ARG A 89 -7.398 -6.286 -11.785 1.00 23.03 N ATOM 0 H ARG A 89 -13.563 -3.944 -10.890 1.00 2.35 H new ATOM 0 HA ARG A 89 -13.713 -5.491 -8.557 1.00 12.22 H new ATOM 0 HB2 ARG A 89 -12.580 -6.128 -10.696 1.00 34.33 H new ATOM 0 HB3 ARG A 89 -11.327 -4.944 -10.378 1.00 34.33 H new ATOM 0 HG2 ARG A 89 -10.678 -6.172 -8.317 1.00 24.12 H new ATOM 0 HG3 ARG A 89 -11.943 -7.349 -8.614 1.00 24.12 H new ATOM 0 HD2 ARG A 89 -9.845 -8.271 -9.398 1.00 30.23 H new ATOM 0 HD3 ARG A 89 -10.858 -7.943 -10.790 1.00 30.23 H new ATOM 0 HE ARG A 89 -9.241 -5.643 -10.340 1.00 54.13 H new ATOM 0 HH11 ARG A 89 -8.922 -9.000 -11.279 1.00 25.43 H new ATOM 0 HH12 ARG A 89 -7.479 -8.687 -12.249 1.00 25.43 H new ATOM 0 HH21 ARG A 89 -7.432 -5.297 -11.538 1.00 23.03 H new ATOM 0 HH22 ARG A 89 -6.655 -6.635 -12.391 1.00 23.03 H new ATOM 1502 N LEU A 90 -11.735 -2.859 -8.327 1.00 25.12 N ATOM 1503 CA LEU A 90 -11.045 -1.970 -7.384 1.00 20.03 C ATOM 1504 C LEU A 90 -12.004 -1.471 -6.290 1.00 31.33 C ATOM 1505 O LEU A 90 -11.672 -1.492 -5.104 1.00 22.25 O ATOM 1506 CB LEU A 90 -10.433 -0.779 -8.139 1.00 72.32 C ATOM 1507 CG LEU A 90 -9.695 0.255 -7.269 1.00 0.41 C ATOM 1508 CD1 LEU A 90 -8.561 -0.402 -6.484 1.00 21.55 C ATOM 1509 CD2 LEU A 90 -9.163 1.397 -8.131 1.00 64.50 C ATOM 0 H LEU A 90 -11.782 -2.498 -9.280 1.00 25.12 H new ATOM 0 HA LEU A 90 -10.248 -2.536 -6.900 1.00 20.03 H new ATOM 0 HB2 LEU A 90 -9.736 -1.164 -8.883 1.00 72.32 H new ATOM 0 HB3 LEU A 90 -11.229 -0.268 -8.681 1.00 72.32 H new ATOM 0 HG LEU A 90 -10.406 0.666 -6.553 1.00 0.41 H new ATOM 0 HD11 LEU A 90 -8.055 0.349 -5.877 1.00 21.55 H new ATOM 0 HD12 LEU A 90 -8.969 -1.177 -5.836 1.00 21.55 H new ATOM 0 HD13 LEU A 90 -7.848 -0.847 -7.178 1.00 21.55 H new ATOM 0 HD21 LEU A 90 -8.644 2.118 -7.500 1.00 64.50 H new ATOM 0 HD22 LEU A 90 -8.470 1.000 -8.873 1.00 64.50 H new ATOM 0 HD23 LEU A 90 -9.994 1.889 -8.637 1.00 64.50 H new ATOM 1521 N GLU A 91 -13.191 -1.026 -6.699 1.00 11.45 N ATOM 1522 CA GLU A 91 -14.240 -0.604 -5.761 1.00 75.44 C ATOM 1523 C GLU A 91 -14.617 -1.733 -4.791 1.00 63.33 C ATOM 1524 O GLU A 91 -14.644 -1.542 -3.580 1.00 12.22 O ATOM 1525 CB GLU A 91 -15.490 -0.158 -6.531 1.00 32.11 C ATOM 1526 CG GLU A 91 -15.358 1.189 -7.231 1.00 54.05 C ATOM 1527 CD GLU A 91 -15.241 2.346 -6.251 1.00 61.02 C ATOM 1528 OE1 GLU A 91 -16.132 2.489 -5.383 1.00 35.21 O ATOM 1529 OE2 GLU A 91 -14.271 3.127 -6.349 1.00 5.42 O ATOM 0 H GLU A 91 -13.455 -0.947 -7.681 1.00 11.45 H new ATOM 0 HA GLU A 91 -13.845 0.230 -5.181 1.00 75.44 H new ATOM 0 HB2 GLU A 91 -15.732 -0.917 -7.275 1.00 32.11 H new ATOM 0 HB3 GLU A 91 -16.330 -0.112 -5.838 1.00 32.11 H new ATOM 0 HG2 GLU A 91 -14.480 1.174 -7.877 1.00 54.05 H new ATOM 0 HG3 GLU A 91 -16.224 1.347 -7.873 1.00 54.05 H new ATOM 1536 N GLU A 92 -14.898 -2.912 -5.342 1.00 43.15 N ATOM 1537 CA GLU A 92 -15.298 -4.082 -4.546 1.00 15.21 C ATOM 1538 C GLU A 92 -14.282 -4.390 -3.424 1.00 21.43 C ATOM 1539 O GLU A 92 -14.655 -4.828 -2.333 1.00 42.33 O ATOM 1540 CB GLU A 92 -15.486 -5.290 -5.488 1.00 74.30 C ATOM 1541 CG GLU A 92 -15.849 -6.609 -4.796 1.00 55.12 C ATOM 1542 CD GLU A 92 -14.668 -7.562 -4.695 1.00 31.35 C ATOM 1543 OE1 GLU A 92 -14.323 -8.200 -5.710 1.00 61.50 O ATOM 1544 OE2 GLU A 92 -14.052 -7.657 -3.614 1.00 11.43 O ATOM 0 H GLU A 92 -14.857 -3.088 -6.346 1.00 43.15 H new ATOM 0 HA GLU A 92 -16.243 -3.864 -4.049 1.00 15.21 H new ATOM 0 HB2 GLU A 92 -16.267 -5.050 -6.209 1.00 74.30 H new ATOM 0 HB3 GLU A 92 -14.565 -5.436 -6.053 1.00 74.30 H new ATOM 0 HG2 GLU A 92 -16.227 -6.398 -3.796 1.00 55.12 H new ATOM 0 HG3 GLU A 92 -16.656 -7.093 -5.346 1.00 55.12 H new ATOM 1551 N PHE A 93 -13.000 -4.137 -3.689 1.00 13.11 N ATOM 1552 CA PHE A 93 -11.949 -4.337 -2.679 1.00 60.03 C ATOM 1553 C PHE A 93 -11.832 -3.123 -1.736 1.00 62.14 C ATOM 1554 O PHE A 93 -11.919 -3.260 -0.514 1.00 35.25 O ATOM 1555 CB PHE A 93 -10.599 -4.600 -3.362 1.00 23.54 C ATOM 1556 CG PHE A 93 -9.456 -4.803 -2.394 1.00 1.41 C ATOM 1557 CD1 PHE A 93 -9.385 -5.949 -1.614 1.00 63.03 C ATOM 1558 CD2 PHE A 93 -8.452 -3.852 -2.266 1.00 24.22 C ATOM 1559 CE1 PHE A 93 -8.340 -6.140 -0.730 1.00 45.34 C ATOM 1560 CE2 PHE A 93 -7.407 -4.040 -1.382 1.00 54.02 C ATOM 1561 CZ PHE A 93 -7.351 -5.187 -0.614 1.00 4.23 C ATOM 0 H PHE A 93 -12.661 -3.795 -4.588 1.00 13.11 H new ATOM 0 HA PHE A 93 -12.227 -5.204 -2.080 1.00 60.03 H new ATOM 0 HB2 PHE A 93 -10.688 -5.483 -3.995 1.00 23.54 H new ATOM 0 HB3 PHE A 93 -10.364 -3.761 -4.017 1.00 23.54 H new ATOM 0 HD1 PHE A 93 -10.156 -6.701 -1.699 1.00 63.03 H new ATOM 0 HD2 PHE A 93 -8.489 -2.954 -2.865 1.00 24.22 H new ATOM 0 HE1 PHE A 93 -8.298 -7.037 -0.130 1.00 45.34 H new ATOM 0 HE2 PHE A 93 -6.634 -3.291 -1.291 1.00 54.02 H new ATOM 0 HZ PHE A 93 -6.534 -5.337 0.076 1.00 4.23 H new ATOM 1571 N SER A 94 -11.640 -1.939 -2.319 1.00 10.53 N ATOM 1572 CA SER A 94 -11.447 -0.694 -1.553 1.00 23.03 C ATOM 1573 C SER A 94 -12.625 -0.408 -0.613 1.00 35.32 C ATOM 1574 O SER A 94 -12.435 0.084 0.500 1.00 3.52 O ATOM 1575 CB SER A 94 -11.256 0.495 -2.507 1.00 74.04 C ATOM 1576 OG SER A 94 -10.135 0.298 -3.356 1.00 4.13 O ATOM 0 H SER A 94 -11.613 -1.810 -3.330 1.00 10.53 H new ATOM 0 HA SER A 94 -10.553 -0.828 -0.944 1.00 23.03 H new ATOM 0 HB2 SER A 94 -12.154 0.628 -3.111 1.00 74.04 H new ATOM 0 HB3 SER A 94 -11.122 1.410 -1.930 1.00 74.04 H new ATOM 0 HG SER A 94 -10.380 -0.309 -4.086 1.00 4.13 H new ATOM 1582 N ARG A 95 -13.838 -0.712 -1.070 1.00 40.44 N ATOM 1583 CA ARG A 95 -15.053 -0.522 -0.268 1.00 4.43 C ATOM 1584 C ARG A 95 -14.945 -1.261 1.073 1.00 34.03 C ATOM 1585 O ARG A 95 -15.229 -0.694 2.131 1.00 73.34 O ATOM 1586 CB ARG A 95 -16.283 -1.004 -1.063 1.00 15.43 C ATOM 1587 CG ARG A 95 -17.638 -0.744 -0.392 1.00 13.51 C ATOM 1588 CD ARG A 95 -18.032 -1.845 0.593 1.00 65.43 C ATOM 1589 NE ARG A 95 -19.318 -1.575 1.227 1.00 12.54 N ATOM 1590 CZ ARG A 95 -19.874 -2.353 2.115 1.00 31.14 C ATOM 1591 NH1 ARG A 95 -19.316 -3.470 2.460 1.00 20.20 N ATOM 1592 NH2 ARG A 95 -21.001 -2.016 2.648 1.00 14.14 N ATOM 0 H ARG A 95 -14.010 -1.095 -2.000 1.00 40.44 H new ATOM 0 HA ARG A 95 -15.168 0.540 -0.052 1.00 4.43 H new ATOM 0 HB2 ARG A 95 -16.279 -0.517 -2.038 1.00 15.43 H new ATOM 0 HB3 ARG A 95 -16.184 -2.075 -1.241 1.00 15.43 H new ATOM 0 HG2 ARG A 95 -17.601 0.211 0.133 1.00 13.51 H new ATOM 0 HG3 ARG A 95 -18.407 -0.657 -1.159 1.00 13.51 H new ATOM 0 HD2 ARG A 95 -18.079 -2.800 0.070 1.00 65.43 H new ATOM 0 HD3 ARG A 95 -17.262 -1.939 1.359 1.00 65.43 H new ATOM 0 HE ARG A 95 -19.814 -0.725 0.959 1.00 12.54 H new ATOM 0 HH11 ARG A 95 -18.432 -3.750 2.036 1.00 20.20 H new ATOM 0 HH12 ARG A 95 -19.761 -4.069 3.155 1.00 20.20 H new ATOM 0 HH21 ARG A 95 -21.454 -1.144 2.375 1.00 14.14 H new ATOM 0 HH22 ARG A 95 -21.438 -2.622 3.342 1.00 14.14 H new ATOM 1606 N GLU A 96 -14.537 -2.527 1.023 1.00 21.42 N ATOM 1607 CA GLU A 96 -14.331 -3.312 2.242 1.00 63.32 C ATOM 1608 C GLU A 96 -13.263 -2.669 3.133 1.00 74.05 C ATOM 1609 O GLU A 96 -13.502 -2.416 4.312 1.00 3.14 O ATOM 1610 CB GLU A 96 -13.931 -4.754 1.907 1.00 11.32 C ATOM 1611 CG GLU A 96 -15.001 -5.532 1.149 1.00 2.11 C ATOM 1612 CD GLU A 96 -16.320 -5.615 1.904 1.00 42.02 C ATOM 1613 OE1 GLU A 96 -16.355 -6.234 2.988 1.00 32.40 O ATOM 1614 OE2 GLU A 96 -17.328 -5.052 1.423 1.00 74.30 O ATOM 0 H GLU A 96 -14.343 -3.031 0.158 1.00 21.42 H new ATOM 0 HA GLU A 96 -15.276 -3.330 2.785 1.00 63.32 H new ATOM 0 HB2 GLU A 96 -13.017 -4.738 1.313 1.00 11.32 H new ATOM 0 HB3 GLU A 96 -13.700 -5.281 2.833 1.00 11.32 H new ATOM 0 HG2 GLU A 96 -15.171 -5.058 0.182 1.00 2.11 H new ATOM 0 HG3 GLU A 96 -14.638 -6.540 0.951 1.00 2.11 H new ATOM 1621 N VAL A 97 -12.096 -2.380 2.550 1.00 72.33 N ATOM 1622 CA VAL A 97 -10.991 -1.739 3.283 1.00 22.23 C ATOM 1623 C VAL A 97 -11.454 -0.445 3.975 1.00 55.41 C ATOM 1624 O VAL A 97 -11.073 -0.161 5.114 1.00 3.10 O ATOM 1625 CB VAL A 97 -9.802 -1.419 2.339 1.00 22.23 C ATOM 1626 CG1 VAL A 97 -8.646 -0.764 3.102 1.00 72.45 C ATOM 1627 CG2 VAL A 97 -9.332 -2.686 1.626 1.00 50.51 C ATOM 0 H VAL A 97 -11.888 -2.579 1.571 1.00 72.33 H new ATOM 0 HA VAL A 97 -10.661 -2.447 4.043 1.00 22.23 H new ATOM 0 HB VAL A 97 -10.148 -0.707 1.590 1.00 22.23 H new ATOM 0 HG11 VAL A 97 -7.829 -0.552 2.413 1.00 72.45 H new ATOM 0 HG12 VAL A 97 -8.989 0.166 3.554 1.00 72.45 H new ATOM 0 HG13 VAL A 97 -8.296 -1.439 3.883 1.00 72.45 H new ATOM 0 HG21 VAL A 97 -8.498 -2.445 0.968 1.00 50.51 H new ATOM 0 HG22 VAL A 97 -9.011 -3.421 2.364 1.00 50.51 H new ATOM 0 HG23 VAL A 97 -10.152 -3.097 1.037 1.00 50.51 H new ATOM 1637 N ARG A 98 -12.293 0.322 3.282 1.00 53.02 N ATOM 1638 CA ARG A 98 -12.862 1.553 3.839 1.00 60.03 C ATOM 1639 C ARG A 98 -13.799 1.233 5.016 1.00 30.45 C ATOM 1640 O ARG A 98 -13.730 1.863 6.073 1.00 71.05 O ATOM 1641 CB ARG A 98 -13.634 2.317 2.749 1.00 71.12 C ATOM 1642 CG ARG A 98 -13.950 3.768 3.105 1.00 63.44 C ATOM 1643 CD ARG A 98 -12.677 4.597 3.206 1.00 13.10 C ATOM 1644 NE ARG A 98 -12.939 6.006 3.484 1.00 43.05 N ATOM 1645 CZ ARG A 98 -12.092 6.962 3.221 1.00 2.43 C ATOM 1646 NH1 ARG A 98 -11.000 6.706 2.573 1.00 22.00 N ATOM 1647 NH2 ARG A 98 -12.357 8.175 3.569 1.00 20.42 N ATOM 0 H ARG A 98 -12.596 0.114 2.331 1.00 53.02 H new ATOM 0 HA ARG A 98 -12.045 2.176 4.204 1.00 60.03 H new ATOM 0 HB2 ARG A 98 -13.052 2.299 1.828 1.00 71.12 H new ATOM 0 HB3 ARG A 98 -14.568 1.793 2.546 1.00 71.12 H new ATOM 0 HG2 ARG A 98 -14.608 4.196 2.349 1.00 63.44 H new ATOM 0 HG3 ARG A 98 -14.488 3.804 4.052 1.00 63.44 H new ATOM 0 HD2 ARG A 98 -12.044 4.188 3.993 1.00 13.10 H new ATOM 0 HD3 ARG A 98 -12.119 4.513 2.273 1.00 13.10 H new ATOM 0 HE ARG A 98 -13.833 6.256 3.907 1.00 43.05 H new ATOM 0 HH11 ARG A 98 -10.800 5.754 2.266 1.00 22.00 H new ATOM 0 HH12 ARG A 98 -10.340 7.457 2.369 1.00 22.00 H new ATOM 0 HH21 ARG A 98 -13.230 8.388 4.051 1.00 20.42 H new ATOM 0 HH22 ARG A 98 -11.693 8.921 3.362 1.00 20.42 H new ATOM 1661 N ARG A 99 -14.661 0.234 4.817 1.00 24.11 N ATOM 1662 CA ARG A 99 -15.610 -0.205 5.845 1.00 62.40 C ATOM 1663 C ARG A 99 -14.865 -0.747 7.081 1.00 21.31 C ATOM 1664 O ARG A 99 -15.341 -0.626 8.211 1.00 24.23 O ATOM 1665 CB ARG A 99 -16.547 -1.277 5.246 1.00 71.02 C ATOM 1666 CG ARG A 99 -17.894 -1.442 5.958 1.00 2.13 C ATOM 1667 CD ARG A 99 -17.778 -2.154 7.304 1.00 12.31 C ATOM 1668 NE ARG A 99 -17.231 -3.505 7.177 1.00 4.00 N ATOM 1669 CZ ARG A 99 -17.217 -4.385 8.143 1.00 52.10 C ATOM 1670 NH1 ARG A 99 -17.711 -4.096 9.304 1.00 12.51 N ATOM 1671 NH2 ARG A 99 -16.713 -5.559 7.945 1.00 71.15 N ATOM 0 H ARG A 99 -14.722 -0.291 3.945 1.00 24.11 H new ATOM 0 HA ARG A 99 -16.207 0.646 6.172 1.00 62.40 H new ATOM 0 HB2 ARG A 99 -16.735 -1.029 4.201 1.00 71.02 H new ATOM 0 HB3 ARG A 99 -16.029 -2.236 5.257 1.00 71.02 H new ATOM 0 HG2 ARG A 99 -18.340 -0.459 6.111 1.00 2.13 H new ATOM 0 HG3 ARG A 99 -18.572 -2.003 5.314 1.00 2.13 H new ATOM 0 HD2 ARG A 99 -17.142 -1.569 7.968 1.00 12.31 H new ATOM 0 HD3 ARG A 99 -18.762 -2.206 7.770 1.00 12.31 H new ATOM 0 HE ARG A 99 -16.835 -3.777 6.277 1.00 4.00 H new ATOM 0 HH11 ARG A 99 -18.116 -3.175 9.471 1.00 12.51 H new ATOM 0 HH12 ARG A 99 -17.696 -4.790 10.052 1.00 12.51 H new ATOM 0 HH21 ARG A 99 -16.325 -5.800 7.033 1.00 71.15 H new ATOM 0 HH22 ARG A 99 -16.703 -6.244 8.701 1.00 71.15 H new ATOM 1685 N ARG A 100 -13.680 -1.326 6.862 1.00 3.31 N ATOM 1686 CA ARG A 100 -12.855 -1.844 7.964 1.00 31.42 C ATOM 1687 C ARG A 100 -12.339 -0.706 8.870 1.00 34.11 C ATOM 1688 O ARG A 100 -11.741 -0.961 9.918 1.00 13.54 O ATOM 1689 CB ARG A 100 -11.665 -2.663 7.426 1.00 13.51 C ATOM 1690 CG ARG A 100 -12.061 -3.828 6.517 1.00 13.43 C ATOM 1691 CD ARG A 100 -10.876 -4.745 6.207 1.00 50.15 C ATOM 1692 NE ARG A 100 -11.175 -5.724 5.157 1.00 61.42 N ATOM 1693 CZ ARG A 100 -11.988 -6.740 5.290 1.00 45.33 C ATOM 1694 NH1 ARG A 100 -12.630 -6.948 6.399 1.00 53.44 N ATOM 1695 NH2 ARG A 100 -12.158 -7.552 4.299 1.00 64.31 N ATOM 0 H ARG A 100 -13.270 -1.449 5.936 1.00 3.31 H new ATOM 0 HA ARG A 100 -13.492 -2.496 8.561 1.00 31.42 H new ATOM 0 HB2 ARG A 100 -11.001 -1.997 6.875 1.00 13.51 H new ATOM 0 HB3 ARG A 100 -11.097 -3.053 8.270 1.00 13.51 H new ATOM 0 HG2 ARG A 100 -12.852 -4.407 6.994 1.00 13.43 H new ATOM 0 HG3 ARG A 100 -12.470 -3.437 5.585 1.00 13.43 H new ATOM 0 HD2 ARG A 100 -10.024 -4.139 5.900 1.00 50.15 H new ATOM 0 HD3 ARG A 100 -10.582 -5.271 7.115 1.00 50.15 H new ATOM 0 HE ARG A 100 -10.714 -5.604 4.255 1.00 61.42 H new ATOM 0 HH11 ARG A 100 -12.505 -6.313 7.187 1.00 53.44 H new ATOM 0 HH12 ARG A 100 -13.259 -7.746 6.482 1.00 53.44 H new ATOM 0 HH21 ARG A 100 -11.660 -7.398 3.422 1.00 64.31 H new ATOM 0 HH22 ARG A 100 -12.790 -8.347 4.394 1.00 64.31 H new ATOM 1709 N GLY A 101 -12.563 0.544 8.453 1.00 22.21 N ATOM 1710 CA GLY A 101 -12.191 1.699 9.268 1.00 55.25 C ATOM 1711 C GLY A 101 -10.857 2.326 8.875 1.00 55.30 C ATOM 1712 O GLY A 101 -10.257 3.059 9.663 1.00 71.31 O ATOM 0 H GLY A 101 -12.998 0.779 7.561 1.00 22.21 H new ATOM 0 HA2 GLY A 101 -12.973 2.454 9.190 1.00 55.25 H new ATOM 0 HA3 GLY A 101 -12.145 1.394 10.314 1.00 55.25 H new ATOM 1716 N PHE A 102 -10.391 2.059 7.656 1.00 54.11 N ATOM 1717 CA PHE A 102 -9.102 2.591 7.191 1.00 30.25 C ATOM 1718 C PHE A 102 -9.250 3.699 6.139 1.00 42.13 C ATOM 1719 O PHE A 102 -10.088 3.623 5.238 1.00 40.22 O ATOM 1720 CB PHE A 102 -8.218 1.467 6.632 1.00 13.11 C ATOM 1721 CG PHE A 102 -7.384 0.781 7.683 1.00 75.13 C ATOM 1722 CD1 PHE A 102 -6.280 1.424 8.226 1.00 50.53 C ATOM 1723 CD2 PHE A 102 -7.696 -0.496 8.124 1.00 3.14 C ATOM 1724 CE1 PHE A 102 -5.503 0.803 9.186 1.00 14.44 C ATOM 1725 CE2 PHE A 102 -6.922 -1.121 9.083 1.00 3.51 C ATOM 1726 CZ PHE A 102 -5.824 -0.470 9.616 1.00 2.23 C ATOM 0 H PHE A 102 -10.880 1.481 6.973 1.00 54.11 H new ATOM 0 HA PHE A 102 -8.627 3.035 8.066 1.00 30.25 H new ATOM 0 HB2 PHE A 102 -8.851 0.727 6.141 1.00 13.11 H new ATOM 0 HB3 PHE A 102 -7.559 1.879 5.868 1.00 13.11 H new ATOM 0 HD1 PHE A 102 -6.025 2.420 7.895 1.00 50.53 H new ATOM 0 HD2 PHE A 102 -8.554 -1.008 7.713 1.00 3.14 H new ATOM 0 HE1 PHE A 102 -4.645 1.313 9.600 1.00 14.44 H new ATOM 0 HE2 PHE A 102 -7.174 -2.117 9.416 1.00 3.51 H new ATOM 0 HZ PHE A 102 -5.219 -0.956 10.367 1.00 2.23 H new ATOM 1736 N GLU A 103 -8.414 4.729 6.273 1.00 42.21 N ATOM 1737 CA GLU A 103 -8.292 5.778 5.259 1.00 50.41 C ATOM 1738 C GLU A 103 -7.558 5.227 4.027 1.00 15.12 C ATOM 1739 O GLU A 103 -6.443 4.712 4.137 1.00 71.11 O ATOM 1740 CB GLU A 103 -7.532 6.984 5.843 1.00 12.43 C ATOM 1741 CG GLU A 103 -7.331 8.134 4.863 1.00 22.43 C ATOM 1742 CD GLU A 103 -8.635 8.751 4.378 1.00 23.03 C ATOM 1743 OE1 GLU A 103 -9.205 9.598 5.102 1.00 44.32 O ATOM 1744 OE2 GLU A 103 -9.095 8.396 3.270 1.00 53.31 O ATOM 0 H GLU A 103 -7.806 4.860 7.081 1.00 42.21 H new ATOM 0 HA GLU A 103 -9.287 6.105 4.957 1.00 50.41 H new ATOM 0 HB2 GLU A 103 -8.075 7.354 6.713 1.00 12.43 H new ATOM 0 HB3 GLU A 103 -6.557 6.648 6.195 1.00 12.43 H new ATOM 0 HG2 GLU A 103 -6.728 8.906 5.340 1.00 22.43 H new ATOM 0 HG3 GLU A 103 -6.766 7.774 4.003 1.00 22.43 H new ATOM 1751 N VAL A 104 -8.176 5.339 2.852 1.00 14.03 N ATOM 1752 CA VAL A 104 -7.638 4.695 1.651 1.00 14.13 C ATOM 1753 C VAL A 104 -7.767 5.573 0.396 1.00 51.34 C ATOM 1754 O VAL A 104 -8.803 6.199 0.153 1.00 0.53 O ATOM 1755 CB VAL A 104 -8.316 3.320 1.401 1.00 74.31 C ATOM 1756 CG1 VAL A 104 -9.832 3.463 1.240 1.00 14.31 C ATOM 1757 CG2 VAL A 104 -7.707 2.626 0.186 1.00 54.12 C ATOM 0 H VAL A 104 -9.039 5.862 2.705 1.00 14.03 H new ATOM 0 HA VAL A 104 -6.575 4.545 1.840 1.00 14.13 H new ATOM 0 HB VAL A 104 -8.133 2.699 2.278 1.00 74.31 H new ATOM 0 HG11 VAL A 104 -10.274 2.482 1.067 1.00 14.31 H new ATOM 0 HG12 VAL A 104 -10.255 3.896 2.146 1.00 14.31 H new ATOM 0 HG13 VAL A 104 -10.048 4.113 0.392 1.00 14.31 H new ATOM 0 HG21 VAL A 104 -8.198 1.665 0.032 1.00 54.12 H new ATOM 0 HG22 VAL A 104 -7.845 3.250 -0.697 1.00 54.12 H new ATOM 0 HG23 VAL A 104 -6.642 2.466 0.354 1.00 54.12 H new ATOM 1767 N ARG A 105 -6.694 5.612 -0.394 1.00 24.13 N ATOM 1768 CA ARG A 105 -6.669 6.336 -1.666 1.00 10.51 C ATOM 1769 C ARG A 105 -6.481 5.375 -2.851 1.00 40.40 C ATOM 1770 O ARG A 105 -5.539 4.583 -2.881 1.00 4.54 O ATOM 1771 CB ARG A 105 -5.553 7.396 -1.649 1.00 32.23 C ATOM 1772 CG ARG A 105 -5.929 8.680 -0.899 1.00 33.23 C ATOM 1773 CD ARG A 105 -6.731 9.643 -1.781 1.00 0.23 C ATOM 1774 NE ARG A 105 -7.902 9.007 -2.391 1.00 64.12 N ATOM 1775 CZ ARG A 105 -8.359 9.297 -3.583 1.00 3.30 C ATOM 1776 NH1 ARG A 105 -7.812 10.230 -4.298 1.00 13.22 N ATOM 1777 NH2 ARG A 105 -9.377 8.656 -4.060 1.00 70.42 N ATOM 0 H ARG A 105 -5.817 5.142 -0.170 1.00 24.13 H new ATOM 0 HA ARG A 105 -7.630 6.835 -1.792 1.00 10.51 H new ATOM 0 HB2 ARG A 105 -4.663 6.966 -1.190 1.00 32.23 H new ATOM 0 HB3 ARG A 105 -5.291 7.650 -2.676 1.00 32.23 H new ATOM 0 HG2 ARG A 105 -6.513 8.426 -0.015 1.00 33.23 H new ATOM 0 HG3 ARG A 105 -5.023 9.176 -0.551 1.00 33.23 H new ATOM 0 HD2 ARG A 105 -7.055 10.494 -1.182 1.00 0.23 H new ATOM 0 HD3 ARG A 105 -6.084 10.034 -2.566 1.00 0.23 H new ATOM 0 HE ARG A 105 -8.392 8.293 -1.852 1.00 64.12 H new ATOM 0 HH11 ARG A 105 -7.014 10.750 -3.934 1.00 13.22 H new ATOM 0 HH12 ARG A 105 -8.180 10.444 -5.225 1.00 13.22 H new ATOM 0 HH21 ARG A 105 -9.824 7.924 -3.507 1.00 70.42 H new ATOM 0 HH22 ARG A 105 -9.733 8.882 -4.989 1.00 70.42 H new ATOM 1791 N THR A 106 -7.385 5.450 -3.823 1.00 43.11 N ATOM 1792 CA THR A 106 -7.321 4.596 -5.017 1.00 72.24 C ATOM 1793 C THR A 106 -6.642 5.323 -6.188 1.00 13.14 C ATOM 1794 O THR A 106 -6.982 6.466 -6.506 1.00 51.23 O ATOM 1795 CB THR A 106 -8.734 4.148 -5.464 1.00 2.12 C ATOM 1796 OG1 THR A 106 -9.551 5.294 -5.761 1.00 21.34 O ATOM 1797 CG2 THR A 106 -9.409 3.306 -4.381 1.00 3.52 C ATOM 0 H THR A 106 -8.176 6.094 -3.812 1.00 43.11 H new ATOM 0 HA THR A 106 -6.732 3.720 -4.744 1.00 72.24 H new ATOM 0 HB THR A 106 -8.624 3.540 -6.362 1.00 2.12 H new ATOM 0 HG1 THR A 106 -8.977 6.061 -5.966 1.00 21.34 H new ATOM 0 HG21 THR A 106 -10.400 3.004 -4.720 1.00 3.52 H new ATOM 0 HG22 THR A 106 -8.808 2.419 -4.182 1.00 3.52 H new ATOM 0 HG23 THR A 106 -9.501 3.894 -3.468 1.00 3.52 H new ATOM 1805 N VAL A 107 -5.675 4.665 -6.823 1.00 2.14 N ATOM 1806 CA VAL A 107 -4.947 5.259 -7.950 1.00 43.54 C ATOM 1807 C VAL A 107 -4.896 4.319 -9.166 1.00 2.21 C ATOM 1808 O VAL A 107 -4.675 3.116 -9.030 1.00 63.42 O ATOM 1809 CB VAL A 107 -3.499 5.655 -7.545 1.00 43.25 C ATOM 1810 CG1 VAL A 107 -3.511 6.758 -6.485 1.00 13.51 C ATOM 1811 CG2 VAL A 107 -2.716 4.438 -7.050 1.00 54.23 C ATOM 0 H VAL A 107 -5.375 3.721 -6.579 1.00 2.14 H new ATOM 0 HA VAL A 107 -5.499 6.156 -8.230 1.00 43.54 H new ATOM 0 HB VAL A 107 -2.998 6.042 -8.432 1.00 43.25 H new ATOM 0 HG11 VAL A 107 -2.486 7.017 -6.218 1.00 13.51 H new ATOM 0 HG12 VAL A 107 -4.017 7.638 -6.882 1.00 13.51 H new ATOM 0 HG13 VAL A 107 -4.038 6.405 -5.599 1.00 13.51 H new ATOM 0 HG21 VAL A 107 -1.707 4.743 -6.773 1.00 54.23 H new ATOM 0 HG22 VAL A 107 -3.217 4.012 -6.181 1.00 54.23 H new ATOM 0 HG23 VAL A 107 -2.665 3.691 -7.842 1.00 54.23 H new ATOM 1821 N THR A 108 -5.127 4.876 -10.356 1.00 22.32 N ATOM 1822 CA THR A 108 -5.015 4.119 -11.616 1.00 2.22 C ATOM 1823 C THR A 108 -3.939 4.719 -12.535 1.00 1.43 C ATOM 1824 O THR A 108 -3.735 4.257 -13.660 1.00 63.21 O ATOM 1825 CB THR A 108 -6.361 4.079 -12.381 1.00 2.55 C ATOM 1826 OG1 THR A 108 -6.832 5.415 -12.624 1.00 64.23 O ATOM 1827 CG2 THR A 108 -7.421 3.297 -11.604 1.00 44.22 C ATOM 0 H THR A 108 -5.394 5.853 -10.480 1.00 22.32 H new ATOM 0 HA THR A 108 -4.731 3.103 -11.342 1.00 2.22 H new ATOM 0 HB THR A 108 -6.188 3.573 -13.331 1.00 2.55 H new ATOM 0 HG1 THR A 108 -7.682 5.379 -13.110 1.00 64.23 H new ATOM 0 HG21 THR A 108 -8.353 3.288 -12.169 1.00 44.22 H new ATOM 0 HG22 THR A 108 -7.079 2.273 -11.452 1.00 44.22 H new ATOM 0 HG23 THR A 108 -7.587 3.771 -10.637 1.00 44.22 H new ATOM 1835 N SER A 109 -3.243 5.742 -12.038 1.00 0.20 N ATOM 1836 CA SER A 109 -2.194 6.431 -12.807 1.00 42.25 C ATOM 1837 C SER A 109 -1.004 6.799 -11.905 1.00 2.20 C ATOM 1838 O SER A 109 -1.190 7.142 -10.732 1.00 70.13 O ATOM 1839 CB SER A 109 -2.751 7.708 -13.462 1.00 42.32 C ATOM 1840 OG SER A 109 -3.880 7.431 -14.278 1.00 24.24 O ATOM 0 H SER A 109 -3.385 6.117 -11.100 1.00 0.20 H new ATOM 0 HA SER A 109 -1.852 5.748 -13.584 1.00 42.25 H new ATOM 0 HB2 SER A 109 -3.029 8.423 -12.687 1.00 42.32 H new ATOM 0 HB3 SER A 109 -1.973 8.177 -14.064 1.00 42.32 H new ATOM 0 HG SER A 109 -4.208 8.264 -14.676 1.00 24.24 H new ATOM 1846 N PRO A 110 0.236 6.744 -12.436 1.00 2.14 N ATOM 1847 CA PRO A 110 1.453 7.053 -11.658 1.00 44.41 C ATOM 1848 C PRO A 110 1.484 8.500 -11.127 1.00 61.13 C ATOM 1849 O PRO A 110 1.881 8.743 -9.985 1.00 71.43 O ATOM 1850 CB PRO A 110 2.596 6.808 -12.660 1.00 33.22 C ATOM 1851 CG PRO A 110 1.955 6.892 -14.007 1.00 14.21 C ATOM 1852 CD PRO A 110 0.553 6.375 -13.829 1.00 13.00 C ATOM 0 HA PRO A 110 1.519 6.438 -10.760 1.00 44.41 H new ATOM 0 HB2 PRO A 110 3.383 7.554 -12.551 1.00 33.22 H new ATOM 0 HB3 PRO A 110 3.057 5.833 -12.502 1.00 33.22 H new ATOM 0 HG2 PRO A 110 1.949 7.918 -14.374 1.00 14.21 H new ATOM 0 HG3 PRO A 110 2.502 6.296 -14.738 1.00 14.21 H new ATOM 0 HD2 PRO A 110 -0.139 6.834 -14.535 1.00 13.00 H new ATOM 0 HD3 PRO A 110 0.498 5.297 -13.983 1.00 13.00 H new ATOM 1860 N ASP A 111 1.060 9.458 -11.958 1.00 31.41 N ATOM 1861 CA ASP A 111 1.020 10.871 -11.557 1.00 43.32 C ATOM 1862 C ASP A 111 0.067 11.102 -10.373 1.00 14.22 C ATOM 1863 O ASP A 111 0.403 11.827 -9.436 1.00 21.00 O ATOM 1864 CB ASP A 111 0.614 11.746 -12.745 1.00 61.25 C ATOM 1865 CG ASP A 111 1.620 11.663 -13.878 1.00 75.14 C ATOM 1866 OD1 ASP A 111 1.705 10.596 -14.522 1.00 64.13 O ATOM 1867 OD2 ASP A 111 2.350 12.651 -14.113 1.00 43.33 O ATOM 0 H ASP A 111 0.740 9.283 -12.911 1.00 31.41 H new ATOM 0 HA ASP A 111 2.022 11.151 -11.231 1.00 43.32 H new ATOM 0 HB2 ASP A 111 -0.366 11.436 -13.106 1.00 61.25 H new ATOM 0 HB3 ASP A 111 0.520 12.782 -12.418 1.00 61.25 H new ATOM 1872 N ASP A 112 -1.115 10.483 -10.417 1.00 4.04 N ATOM 1873 CA ASP A 112 -2.061 10.559 -9.298 1.00 31.12 C ATOM 1874 C ASP A 112 -1.438 10.022 -8.004 1.00 51.33 C ATOM 1875 O ASP A 112 -1.540 10.647 -6.949 1.00 34.44 O ATOM 1876 CB ASP A 112 -3.340 9.786 -9.619 1.00 11.54 C ATOM 1877 CG ASP A 112 -4.184 10.485 -10.663 1.00 53.04 C ATOM 1878 OD1 ASP A 112 -4.893 11.446 -10.306 1.00 41.32 O ATOM 1879 OD2 ASP A 112 -4.144 10.082 -11.842 1.00 42.45 O ATOM 0 H ASP A 112 -1.440 9.927 -11.208 1.00 4.04 H new ATOM 0 HA ASP A 112 -2.309 11.610 -9.149 1.00 31.12 H new ATOM 0 HB2 ASP A 112 -3.080 8.788 -9.973 1.00 11.54 H new ATOM 0 HB3 ASP A 112 -3.924 9.659 -8.708 1.00 11.54 H new ATOM 1884 N PHE A 113 -0.797 8.858 -8.093 1.00 60.10 N ATOM 1885 CA PHE A 113 -0.084 8.282 -6.948 1.00 33.34 C ATOM 1886 C PHE A 113 0.991 9.249 -6.425 1.00 44.30 C ATOM 1887 O PHE A 113 1.069 9.517 -5.229 1.00 62.32 O ATOM 1888 CB PHE A 113 0.557 6.940 -7.334 1.00 3.20 C ATOM 1889 CG PHE A 113 1.437 6.356 -6.253 1.00 40.03 C ATOM 1890 CD1 PHE A 113 0.893 5.609 -5.218 1.00 43.12 C ATOM 1891 CD2 PHE A 113 2.809 6.567 -6.269 1.00 73.33 C ATOM 1892 CE1 PHE A 113 1.700 5.087 -4.225 1.00 63.31 C ATOM 1893 CE2 PHE A 113 3.618 6.045 -5.279 1.00 31.44 C ATOM 1894 CZ PHE A 113 3.064 5.306 -4.256 1.00 62.32 C ATOM 0 H PHE A 113 -0.755 8.295 -8.942 1.00 60.10 H new ATOM 0 HA PHE A 113 -0.809 8.111 -6.152 1.00 33.34 H new ATOM 0 HB2 PHE A 113 -0.231 6.226 -7.574 1.00 3.20 H new ATOM 0 HB3 PHE A 113 1.150 7.077 -8.239 1.00 3.20 H new ATOM 0 HD1 PHE A 113 -0.172 5.434 -5.188 1.00 43.12 H new ATOM 0 HD2 PHE A 113 3.250 7.147 -7.066 1.00 73.33 H new ATOM 0 HE1 PHE A 113 1.264 4.508 -3.424 1.00 63.31 H new ATOM 0 HE2 PHE A 113 4.684 6.216 -5.306 1.00 31.44 H new ATOM 0 HZ PHE A 113 3.695 4.899 -3.480 1.00 62.32 H new ATOM 1904 N LYS A 114 1.803 9.771 -7.340 1.00 22.31 N ATOM 1905 CA LYS A 114 2.891 10.692 -6.990 1.00 45.13 C ATOM 1906 C LYS A 114 2.370 11.956 -6.281 1.00 43.34 C ATOM 1907 O LYS A 114 2.805 12.286 -5.178 1.00 45.54 O ATOM 1908 CB LYS A 114 3.662 11.084 -8.259 1.00 25.20 C ATOM 1909 CG LYS A 114 4.848 12.011 -8.007 1.00 24.31 C ATOM 1910 CD LYS A 114 5.578 12.373 -9.301 1.00 23.23 C ATOM 1911 CE LYS A 114 4.658 13.066 -10.303 1.00 21.02 C ATOM 1912 NZ LYS A 114 5.405 13.596 -11.470 1.00 12.33 N ATOM 0 H LYS A 114 1.730 9.573 -8.338 1.00 22.31 H new ATOM 0 HA LYS A 114 3.555 10.177 -6.296 1.00 45.13 H new ATOM 0 HB2 LYS A 114 4.020 10.178 -8.748 1.00 25.20 H new ATOM 0 HB3 LYS A 114 2.976 11.570 -8.952 1.00 25.20 H new ATOM 0 HG2 LYS A 114 4.499 12.922 -7.521 1.00 24.31 H new ATOM 0 HG3 LYS A 114 5.545 11.530 -7.320 1.00 24.31 H new ATOM 0 HD2 LYS A 114 6.421 13.025 -9.071 1.00 23.23 H new ATOM 0 HD3 LYS A 114 5.988 11.469 -9.751 1.00 23.23 H new ATOM 0 HE2 LYS A 114 3.901 12.362 -10.647 1.00 21.02 H new ATOM 0 HE3 LYS A 114 4.132 13.883 -9.808 1.00 21.02 H new ATOM 0 HZ1 LYS A 114 4.743 14.058 -12.125 1.00 12.33 H new ATOM 0 HZ2 LYS A 114 6.111 14.288 -11.146 1.00 12.33 H new ATOM 0 HZ3 LYS A 114 5.886 12.814 -11.959 1.00 12.33 H new ATOM 1926 N LYS A 115 1.423 12.644 -6.916 1.00 65.42 N ATOM 1927 CA LYS A 115 0.905 13.917 -6.397 1.00 70.02 C ATOM 1928 C LYS A 115 0.057 13.733 -5.133 1.00 41.41 C ATOM 1929 O LYS A 115 0.041 14.605 -4.258 1.00 52.50 O ATOM 1930 CB LYS A 115 0.108 14.647 -7.486 1.00 32.34 C ATOM 1931 CG LYS A 115 0.975 15.104 -8.653 1.00 2.43 C ATOM 1932 CD LYS A 115 2.127 15.975 -8.165 1.00 24.24 C ATOM 1933 CE LYS A 115 3.092 16.340 -9.280 1.00 60.42 C ATOM 1934 NZ LYS A 115 4.276 17.071 -8.758 1.00 54.15 N ATOM 0 H LYS A 115 0.996 12.344 -7.792 1.00 65.42 H new ATOM 0 HA LYS A 115 1.763 14.526 -6.113 1.00 70.02 H new ATOM 0 HB2 LYS A 115 -0.675 13.987 -7.859 1.00 32.34 H new ATOM 0 HB3 LYS A 115 -0.387 15.513 -7.047 1.00 32.34 H new ATOM 0 HG2 LYS A 115 1.369 14.235 -9.181 1.00 2.43 H new ATOM 0 HG3 LYS A 115 0.368 15.662 -9.366 1.00 2.43 H new ATOM 0 HD2 LYS A 115 1.727 16.887 -7.722 1.00 24.24 H new ATOM 0 HD3 LYS A 115 2.668 15.449 -7.378 1.00 24.24 H new ATOM 0 HE2 LYS A 115 3.418 15.434 -9.791 1.00 60.42 H new ATOM 0 HE3 LYS A 115 2.580 16.956 -10.019 1.00 60.42 H new ATOM 0 HZ1 LYS A 115 5.011 17.112 -9.493 1.00 54.15 H new ATOM 0 HZ2 LYS A 115 3.998 18.037 -8.492 1.00 54.15 H new ATOM 0 HZ3 LYS A 115 4.649 16.576 -7.923 1.00 54.15 H new ATOM 1948 N SER A 116 -0.656 12.614 -5.032 1.00 53.12 N ATOM 1949 CA SER A 116 -1.390 12.301 -3.800 1.00 70.42 C ATOM 1950 C SER A 116 -0.404 12.045 -2.655 1.00 61.40 C ATOM 1951 O SER A 116 -0.506 12.656 -1.593 1.00 65.45 O ATOM 1952 CB SER A 116 -2.307 11.083 -3.982 1.00 35.11 C ATOM 1953 OG SER A 116 -1.562 9.905 -4.232 1.00 23.24 O ATOM 0 H SER A 116 -0.743 11.917 -5.772 1.00 53.12 H new ATOM 0 HA SER A 116 -2.017 13.159 -3.558 1.00 70.42 H new ATOM 0 HB2 SER A 116 -2.915 10.947 -3.088 1.00 35.11 H new ATOM 0 HB3 SER A 116 -2.993 11.263 -4.810 1.00 35.11 H new ATOM 0 HG SER A 116 -1.307 9.874 -5.178 1.00 23.24 H new ATOM 1959 N LEU A 117 0.563 11.156 -2.895 1.00 43.43 N ATOM 1960 CA LEU A 117 1.603 10.831 -1.909 1.00 52.14 C ATOM 1961 C LEU A 117 2.329 12.094 -1.405 1.00 1.05 C ATOM 1962 O LEU A 117 2.512 12.269 -0.197 1.00 74.54 O ATOM 1963 CB LEU A 117 2.615 9.844 -2.514 1.00 4.32 C ATOM 1964 CG LEU A 117 3.720 9.354 -1.560 1.00 33.42 C ATOM 1965 CD1 LEU A 117 3.118 8.628 -0.358 1.00 21.24 C ATOM 1966 CD2 LEU A 117 4.709 8.454 -2.297 1.00 54.13 C ATOM 0 H LEU A 117 0.649 10.643 -3.772 1.00 43.43 H new ATOM 0 HA LEU A 117 1.113 10.368 -1.052 1.00 52.14 H new ATOM 0 HB2 LEU A 117 2.071 8.976 -2.886 1.00 4.32 H new ATOM 0 HB3 LEU A 117 3.087 10.318 -3.375 1.00 4.32 H new ATOM 0 HG LEU A 117 4.262 10.225 -1.192 1.00 33.42 H new ATOM 0 HD11 LEU A 117 3.918 8.291 0.302 1.00 21.24 H new ATOM 0 HD12 LEU A 117 2.461 9.307 0.186 1.00 21.24 H new ATOM 0 HD13 LEU A 117 2.545 7.767 -0.702 1.00 21.24 H new ATOM 0 HD21 LEU A 117 5.481 8.119 -1.605 1.00 54.13 H new ATOM 0 HD22 LEU A 117 4.183 7.589 -2.700 1.00 54.13 H new ATOM 0 HD23 LEU A 117 5.170 9.011 -3.113 1.00 54.13 H new ATOM 1978 N GLU A 118 2.730 12.974 -2.332 1.00 11.22 N ATOM 1979 CA GLU A 118 3.384 14.245 -1.972 1.00 4.33 C ATOM 1980 C GLU A 118 2.586 15.010 -0.897 1.00 45.45 C ATOM 1981 O GLU A 118 3.165 15.635 -0.006 1.00 5.02 O ATOM 1982 CB GLU A 118 3.576 15.140 -3.216 1.00 4.20 C ATOM 1983 CG GLU A 118 4.666 14.663 -4.182 1.00 61.13 C ATOM 1984 CD GLU A 118 4.926 15.647 -5.321 1.00 35.04 C ATOM 1985 OE1 GLU A 118 5.233 16.827 -5.037 1.00 51.04 O ATOM 1986 OE2 GLU A 118 4.845 15.248 -6.506 1.00 44.24 O ATOM 0 H GLU A 118 2.615 12.832 -3.335 1.00 11.22 H new ATOM 0 HA GLU A 118 4.362 13.996 -1.560 1.00 4.33 H new ATOM 0 HB2 GLU A 118 2.631 15.198 -3.755 1.00 4.20 H new ATOM 0 HB3 GLU A 118 3.817 16.151 -2.887 1.00 4.20 H new ATOM 0 HG2 GLU A 118 5.591 14.505 -3.628 1.00 61.13 H new ATOM 0 HG3 GLU A 118 4.376 13.699 -4.601 1.00 61.13 H new ATOM 1993 N ARG A 119 1.258 14.947 -0.979 1.00 4.33 N ATOM 1994 CA ARG A 119 0.396 15.609 0.006 1.00 2.32 C ATOM 1995 C ARG A 119 0.184 14.737 1.253 1.00 64.34 C ATOM 1996 O ARG A 119 0.207 15.236 2.377 1.00 72.02 O ATOM 1997 CB ARG A 119 -0.958 15.963 -0.614 1.00 75.10 C ATOM 1998 CG ARG A 119 -1.901 16.663 0.358 1.00 50.45 C ATOM 1999 CD ARG A 119 -3.240 17.001 -0.281 1.00 41.42 C ATOM 2000 NE ARG A 119 -4.136 17.672 0.656 1.00 4.20 N ATOM 2001 CZ ARG A 119 -5.250 18.261 0.311 1.00 63.20 C ATOM 2002 NH1 ARG A 119 -5.622 18.298 -0.928 1.00 21.23 N ATOM 2003 NH2 ARG A 119 -5.989 18.821 1.205 1.00 4.42 N ATOM 0 H ARG A 119 0.755 14.448 -1.712 1.00 4.33 H new ATOM 0 HA ARG A 119 0.901 16.524 0.314 1.00 2.32 H new ATOM 0 HB2 ARG A 119 -0.797 16.606 -1.480 1.00 75.10 H new ATOM 0 HB3 ARG A 119 -1.433 15.052 -0.978 1.00 75.10 H new ATOM 0 HG2 ARG A 119 -2.066 16.024 1.225 1.00 50.45 H new ATOM 0 HG3 ARG A 119 -1.432 17.578 0.721 1.00 50.45 H new ATOM 0 HD2 ARG A 119 -3.077 17.640 -1.149 1.00 41.42 H new ATOM 0 HD3 ARG A 119 -3.711 16.087 -0.642 1.00 41.42 H new ATOM 0 HE ARG A 119 -3.876 17.682 1.642 1.00 4.20 H new ATOM 0 HH11 ARG A 119 -5.043 17.864 -1.647 1.00 21.23 H new ATOM 0 HH12 ARG A 119 -6.494 18.761 -1.185 1.00 21.23 H new ATOM 0 HH21 ARG A 119 -5.705 18.805 2.185 1.00 4.42 H new ATOM 0 HH22 ARG A 119 -6.858 19.280 0.933 1.00 4.42 H new ATOM 2017 N LEU A 120 -0.019 13.438 1.050 1.00 42.03 N ATOM 2018 CA LEU A 120 -0.259 12.507 2.161 1.00 63.43 C ATOM 2019 C LEU A 120 0.871 12.581 3.200 1.00 24.23 C ATOM 2020 O LEU A 120 0.625 12.502 4.403 1.00 34.13 O ATOM 2021 CB LEU A 120 -0.416 11.074 1.635 1.00 64.33 C ATOM 2022 CG LEU A 120 -1.571 10.868 0.634 1.00 72.22 C ATOM 2023 CD1 LEU A 120 -1.655 9.409 0.191 1.00 23.43 C ATOM 2024 CD2 LEU A 120 -2.900 11.335 1.227 1.00 13.33 C ATOM 0 H LEU A 120 -0.023 13.001 0.128 1.00 42.03 H new ATOM 0 HA LEU A 120 -1.186 12.800 2.653 1.00 63.43 H new ATOM 0 HB2 LEU A 120 0.517 10.775 1.157 1.00 64.33 H new ATOM 0 HB3 LEU A 120 -0.568 10.407 2.483 1.00 64.33 H new ATOM 0 HG LEU A 120 -1.364 11.476 -0.246 1.00 72.22 H new ATOM 0 HD11 LEU A 120 -2.477 9.290 -0.515 1.00 23.43 H new ATOM 0 HD12 LEU A 120 -0.720 9.120 -0.289 1.00 23.43 H new ATOM 0 HD13 LEU A 120 -1.828 8.774 1.060 1.00 23.43 H new ATOM 0 HD21 LEU A 120 -3.698 11.179 0.501 1.00 13.33 H new ATOM 0 HD22 LEU A 120 -3.115 10.765 2.131 1.00 13.33 H new ATOM 0 HD23 LEU A 120 -2.836 12.395 1.473 1.00 13.33 H new ATOM 2036 N ILE A 121 2.104 12.753 2.724 1.00 3.10 N ATOM 2037 CA ILE A 121 3.255 12.978 3.606 1.00 2.21 C ATOM 2038 C ILE A 121 3.046 14.239 4.466 1.00 13.44 C ATOM 2039 O ILE A 121 3.351 14.253 5.656 1.00 12.31 O ATOM 2040 CB ILE A 121 4.562 13.131 2.781 1.00 62.32 C ATOM 2041 CG1 ILE A 121 4.803 11.876 1.923 1.00 74.13 C ATOM 2042 CG2 ILE A 121 5.759 13.400 3.694 1.00 41.41 C ATOM 2043 CD1 ILE A 121 5.959 12.004 0.950 1.00 34.53 C ATOM 0 H ILE A 121 2.334 12.741 1.730 1.00 3.10 H new ATOM 0 HA ILE A 121 3.344 12.110 4.259 1.00 2.21 H new ATOM 0 HB ILE A 121 4.448 13.989 2.118 1.00 62.32 H new ATOM 0 HG12 ILE A 121 4.989 11.028 2.582 1.00 74.13 H new ATOM 0 HG13 ILE A 121 3.895 11.651 1.364 1.00 74.13 H new ATOM 0 HG21 ILE A 121 6.661 13.503 3.091 1.00 41.41 H new ATOM 0 HG22 ILE A 121 5.590 14.320 4.254 1.00 41.41 H new ATOM 0 HG23 ILE A 121 5.880 12.569 4.389 1.00 41.41 H new ATOM 0 HD11 ILE A 121 6.062 11.078 0.384 1.00 34.53 H new ATOM 0 HD12 ILE A 121 5.768 12.829 0.264 1.00 34.53 H new ATOM 0 HD13 ILE A 121 6.879 12.197 1.502 1.00 34.53 H new ATOM 2055 N ARG A 122 2.504 15.287 3.849 1.00 4.41 N ATOM 2056 CA ARG A 122 2.207 16.546 4.546 1.00 14.14 C ATOM 2057 C ARG A 122 1.050 16.379 5.547 1.00 43.33 C ATOM 2058 O ARG A 122 0.965 17.103 6.540 1.00 75.52 O ATOM 2059 CB ARG A 122 1.851 17.636 3.523 1.00 51.43 C ATOM 2060 CG ARG A 122 2.990 17.988 2.573 1.00 63.24 C ATOM 2061 CD ARG A 122 2.530 18.909 1.443 1.00 65.02 C ATOM 2062 NE ARG A 122 1.773 20.064 1.938 1.00 12.43 N ATOM 2063 CZ ARG A 122 2.120 21.312 1.761 1.00 22.13 C ATOM 2064 NH1 ARG A 122 3.225 21.618 1.161 1.00 35.32 N ATOM 2065 NH2 ARG A 122 1.356 22.260 2.200 1.00 73.04 N ATOM 0 H ARG A 122 2.258 15.293 2.859 1.00 4.41 H new ATOM 0 HA ARG A 122 3.097 16.838 5.104 1.00 14.14 H new ATOM 0 HB2 ARG A 122 0.993 17.305 2.938 1.00 51.43 H new ATOM 0 HB3 ARG A 122 1.545 18.536 4.057 1.00 51.43 H new ATOM 0 HG2 ARG A 122 3.791 18.472 3.131 1.00 63.24 H new ATOM 0 HG3 ARG A 122 3.404 17.073 2.149 1.00 63.24 H new ATOM 0 HD2 ARG A 122 3.399 19.259 0.886 1.00 65.02 H new ATOM 0 HD3 ARG A 122 1.911 18.344 0.746 1.00 65.02 H new ATOM 0 HE ARG A 122 0.915 19.880 2.457 1.00 12.43 H new ATOM 0 HH11 ARG A 122 3.840 20.880 0.818 1.00 35.32 H new ATOM 0 HH12 ARG A 122 3.481 22.597 1.031 1.00 35.32 H new ATOM 0 HH21 ARG A 122 0.487 22.032 2.682 1.00 73.04 H new ATOM 0 HH22 ARG A 122 1.623 23.235 2.064 1.00 73.04 H new ATOM 2079 N GLU A 123 0.160 15.430 5.268 1.00 24.41 N ATOM 2080 CA GLU A 123 -1.003 15.174 6.128 1.00 4.32 C ATOM 2081 C GLU A 123 -0.614 14.390 7.396 1.00 55.14 C ATOM 2082 O GLU A 123 -0.918 14.806 8.518 1.00 22.22 O ATOM 2083 CB GLU A 123 -2.075 14.391 5.351 1.00 1.12 C ATOM 2084 CG GLU A 123 -2.578 15.086 4.083 1.00 32.54 C ATOM 2085 CD GLU A 123 -3.249 16.429 4.349 1.00 35.33 C ATOM 2086 OE1 GLU A 123 -4.087 16.507 5.274 1.00 61.33 O ATOM 2087 OE2 GLU A 123 -2.965 17.405 3.616 1.00 55.44 O ATOM 0 H GLU A 123 0.218 14.821 4.452 1.00 24.41 H new ATOM 0 HA GLU A 123 -1.401 16.141 6.435 1.00 4.32 H new ATOM 0 HB2 GLU A 123 -1.669 13.417 5.079 1.00 1.12 H new ATOM 0 HB3 GLU A 123 -2.923 14.209 6.011 1.00 1.12 H new ATOM 0 HG2 GLU A 123 -1.739 15.237 3.404 1.00 32.54 H new ATOM 0 HG3 GLU A 123 -3.285 14.430 3.575 1.00 32.54 H new