USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.135 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -7.11! C(o=-7.1!,f=-8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.0047) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -123:sc= 0.141 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= -7.2! C(o=-7.2!,f=-7.9!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 HIS : no HD1:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.223 -10.738 -1.223 1.00 0.00 N ATOM 2 CA GLY A 1 39.199 -10.038 -2.539 1.00 0.00 C ATOM 3 C GLY A 1 39.263 -8.526 -2.313 1.00 0.00 C ATOM 4 O GLY A 1 39.515 -8.062 -1.219 1.00 0.00 O ATOM 0 H1 GLY A 1 40.023 -11.402 -1.198 1.00 0.00 H new ATOM 0 H2 GLY A 1 39.329 -10.039 -0.460 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.334 -11.262 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 40.042 -10.361 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.291 -10.297 -3.084 1.00 0.00 H new ATOM 10 N GLU A 2 39.034 -7.754 -3.341 1.00 0.00 N ATOM 11 CA GLU A 2 39.080 -6.271 -3.185 1.00 0.00 C ATOM 12 C GLU A 2 37.809 -5.771 -2.492 1.00 0.00 C ATOM 13 O GLU A 2 37.778 -4.691 -1.936 1.00 0.00 O ATOM 14 CB GLU A 2 39.162 -5.726 -4.611 1.00 0.00 C ATOM 15 CG GLU A 2 40.615 -5.766 -5.090 1.00 0.00 C ATOM 16 CD GLU A 2 40.673 -5.385 -6.571 1.00 0.00 C ATOM 17 OE1 GLU A 2 40.100 -6.107 -7.371 1.00 0.00 O ATOM 18 OE2 GLU A 2 41.289 -4.378 -6.880 1.00 0.00 O ATOM 0 H GLU A 2 38.817 -8.085 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 2 39.923 -5.946 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 2 38.533 -6.319 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 2 38.785 -4.704 -4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 2 41.222 -5.078 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 2 41.031 -6.763 -4.943 1.00 0.00 H new ATOM 25 N VAL A 3 36.761 -6.548 -2.519 1.00 0.00 N ATOM 26 CA VAL A 3 35.496 -6.116 -1.860 1.00 0.00 C ATOM 27 C VAL A 3 35.642 -6.208 -0.339 1.00 0.00 C ATOM 28 O VAL A 3 35.117 -5.397 0.396 1.00 0.00 O ATOM 29 CB VAL A 3 34.427 -7.089 -2.368 1.00 0.00 C ATOM 30 CG1 VAL A 3 34.723 -8.503 -1.857 1.00 0.00 C ATOM 31 CG2 VAL A 3 33.053 -6.644 -1.862 1.00 0.00 C ATOM 0 H VAL A 3 36.726 -7.463 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 3 35.237 -5.083 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 3 34.435 -7.092 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 3 33.959 -9.189 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.700 -8.823 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 3 34.720 -8.504 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.291 -7.335 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 3 33.051 -6.638 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.837 -5.641 -2.231 1.00 0.00 H new ATOM 41 N GLU A 4 36.355 -7.192 0.135 1.00 0.00 N ATOM 42 CA GLU A 4 36.541 -7.337 1.607 1.00 0.00 C ATOM 43 C GLU A 4 37.291 -6.125 2.168 1.00 0.00 C ATOM 44 O GLU A 4 37.299 -5.888 3.360 1.00 0.00 O ATOM 45 CB GLU A 4 37.375 -8.605 1.779 1.00 0.00 C ATOM 46 CG GLU A 4 36.646 -9.573 2.712 1.00 0.00 C ATOM 47 CD GLU A 4 37.666 -10.468 3.419 1.00 0.00 C ATOM 48 OE1 GLU A 4 38.040 -11.476 2.842 1.00 0.00 O ATOM 49 OE2 GLU A 4 38.055 -10.131 4.525 1.00 0.00 O ATOM 0 H GLU A 4 36.817 -7.902 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 4 35.591 -7.398 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 4 37.545 -9.075 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 4 38.354 -8.356 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 4 36.063 -9.017 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 4 35.944 -10.183 2.144 1.00 0.00 H new ATOM 56 N GLU A 5 37.922 -5.356 1.322 1.00 0.00 N ATOM 57 CA GLU A 5 38.667 -4.164 1.815 1.00 0.00 C ATOM 58 C GLU A 5 37.693 -3.023 2.107 1.00 0.00 C ATOM 59 O GLU A 5 37.709 -2.438 3.172 1.00 0.00 O ATOM 60 CB GLU A 5 39.615 -3.788 0.676 1.00 0.00 C ATOM 61 CG GLU A 5 40.638 -4.907 0.475 1.00 0.00 C ATOM 62 CD GLU A 5 41.777 -4.403 -0.413 1.00 0.00 C ATOM 63 OE1 GLU A 5 42.693 -3.797 0.119 1.00 0.00 O ATOM 64 OE2 GLU A 5 41.714 -4.632 -1.610 1.00 0.00 O ATOM 0 H GLU A 5 37.953 -5.502 0.313 1.00 0.00 H new ATOM 0 HA GLU A 5 39.208 -4.365 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 5 39.051 -3.627 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 5 40.124 -2.852 0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 5 41.030 -5.233 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 5 40.161 -5.773 0.016 1.00 0.00 H new ATOM 71 N LEU A 6 36.839 -2.704 1.173 1.00 0.00 N ATOM 72 CA LEU A 6 35.866 -1.604 1.413 1.00 0.00 C ATOM 73 C LEU A 6 34.849 -2.051 2.476 1.00 0.00 C ATOM 74 O LEU A 6 34.270 -1.244 3.173 1.00 0.00 O ATOM 75 CB LEU A 6 35.227 -1.320 0.027 1.00 0.00 C ATOM 76 CG LEU A 6 33.853 -1.994 -0.134 1.00 0.00 C ATOM 77 CD1 LEU A 6 32.788 -1.156 0.575 1.00 0.00 C ATOM 78 CD2 LEU A 6 33.498 -2.092 -1.620 1.00 0.00 C ATOM 0 H LEU A 6 36.774 -3.155 0.260 1.00 0.00 H new ATOM 0 HA LEU A 6 36.317 -0.692 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 6 35.119 -0.244 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 6 35.896 -1.673 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 6 33.891 -2.992 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.815 -1.633 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 6 33.032 -1.078 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 6 32.757 -0.159 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 6 32.525 -2.570 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 6 33.463 -1.092 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 6 34.254 -2.684 -2.136 1.00 0.00 H new ATOM 90 N GLU A 7 34.649 -3.337 2.607 1.00 0.00 N ATOM 91 CA GLU A 7 33.689 -3.854 3.625 1.00 0.00 C ATOM 92 C GLU A 7 34.274 -3.698 5.029 1.00 0.00 C ATOM 93 O GLU A 7 33.641 -3.170 5.925 1.00 0.00 O ATOM 94 CB GLU A 7 33.517 -5.334 3.287 1.00 0.00 C ATOM 95 CG GLU A 7 32.201 -5.844 3.877 1.00 0.00 C ATOM 96 CD GLU A 7 32.446 -6.357 5.297 1.00 0.00 C ATOM 97 OE1 GLU A 7 33.388 -7.112 5.479 1.00 0.00 O ATOM 98 OE2 GLU A 7 31.689 -5.988 6.179 1.00 0.00 O ATOM 0 H GLU A 7 35.112 -4.054 2.049 1.00 0.00 H new ATOM 0 HA GLU A 7 32.742 -3.315 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 7 33.521 -5.474 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 7 34.353 -5.908 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 7 31.461 -5.044 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 7 31.796 -6.642 3.255 1.00 0.00 H new ATOM 105 N LYS A 8 35.480 -4.153 5.229 1.00 0.00 N ATOM 106 CA LYS A 8 36.099 -4.023 6.576 1.00 0.00 C ATOM 107 C LYS A 8 36.173 -2.550 6.957 1.00 0.00 C ATOM 108 O LYS A 8 35.794 -2.164 8.041 1.00 0.00 O ATOM 109 CB LYS A 8 37.498 -4.627 6.443 1.00 0.00 C ATOM 110 CG LYS A 8 37.385 -6.143 6.269 1.00 0.00 C ATOM 111 CD LYS A 8 37.267 -6.806 7.643 1.00 0.00 C ATOM 112 CE LYS A 8 38.662 -6.972 8.250 1.00 0.00 C ATOM 113 NZ LYS A 8 38.524 -6.497 9.656 1.00 0.00 N ATOM 0 H LYS A 8 36.060 -4.606 4.523 1.00 0.00 H new ATOM 0 HA LYS A 8 35.526 -4.530 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 8 38.015 -4.190 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 8 38.091 -4.395 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 8 36.514 -6.386 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 8 38.259 -6.526 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 8 36.643 -6.199 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 8 36.781 -7.777 7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 8 38.988 -8.011 8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 8 39.403 -6.386 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 39.440 -6.579 10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 38.219 -5.503 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 37.817 -7.077 10.151 1.00 0.00 H new ATOM 127 N LYS A 9 36.631 -1.722 6.066 1.00 0.00 N ATOM 128 CA LYS A 9 36.691 -0.268 6.378 1.00 0.00 C ATOM 129 C LYS A 9 35.268 0.242 6.618 1.00 0.00 C ATOM 130 O LYS A 9 35.051 1.223 7.298 1.00 0.00 O ATOM 131 CB LYS A 9 37.298 0.386 5.136 1.00 0.00 C ATOM 132 CG LYS A 9 38.748 0.781 5.425 1.00 0.00 C ATOM 133 CD LYS A 9 39.667 -0.407 5.133 1.00 0.00 C ATOM 134 CE LYS A 9 40.927 -0.299 5.994 1.00 0.00 C ATOM 135 NZ LYS A 9 41.843 -1.348 5.463 1.00 0.00 N ATOM 0 H LYS A 9 36.965 -1.985 5.139 1.00 0.00 H new ATOM 0 HA LYS A 9 37.280 -0.046 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 9 37.259 -0.304 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 9 36.719 1.266 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 9 39.033 1.635 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 9 38.852 1.088 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 9 39.148 -1.342 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 9 39.935 -0.422 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 9 41.374 0.692 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 9 40.702 -0.467 7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 42.732 -1.338 6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 41.393 -2.281 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 42.044 -1.158 4.461 1.00 0.00 H new ATOM 149 N PHE A 10 34.300 -0.433 6.056 1.00 0.00 N ATOM 150 CA PHE A 10 32.878 -0.021 6.232 1.00 0.00 C ATOM 151 C PHE A 10 32.469 -0.073 7.707 1.00 0.00 C ATOM 152 O PHE A 10 32.171 0.937 8.316 1.00 0.00 O ATOM 153 CB PHE A 10 32.085 -1.060 5.432 1.00 0.00 C ATOM 154 CG PHE A 10 30.795 -0.467 4.930 1.00 0.00 C ATOM 155 CD1 PHE A 10 30.815 0.517 3.918 1.00 0.00 C ATOM 156 CD2 PHE A 10 29.564 -0.916 5.459 1.00 0.00 C ATOM 157 CE1 PHE A 10 29.603 1.053 3.433 1.00 0.00 C ATOM 158 CE2 PHE A 10 28.352 -0.377 4.977 1.00 0.00 C ATOM 159 CZ PHE A 10 28.372 0.606 3.962 1.00 0.00 C ATOM 0 H PHE A 10 34.437 -1.261 5.476 1.00 0.00 H new ATOM 0 HA PHE A 10 32.703 1.002 5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 10 32.682 -1.413 4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 10 31.874 -1.927 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 10 31.757 0.859 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 10 29.551 -1.671 6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 10 29.617 1.805 2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 10 27.410 -0.715 5.383 1.00 0.00 H new ATOM 0 HZ PHE A 10 27.445 1.016 3.590 1.00 0.00 H new ATOM 169 N LYS A 11 32.440 -1.244 8.285 1.00 0.00 N ATOM 170 CA LYS A 11 32.027 -1.351 9.714 1.00 0.00 C ATOM 171 C LYS A 11 33.036 -0.650 10.623 1.00 0.00 C ATOM 172 O LYS A 11 32.688 -0.101 11.651 1.00 0.00 O ATOM 173 CB LYS A 11 31.991 -2.849 9.996 1.00 0.00 C ATOM 174 CG LYS A 11 31.494 -3.090 11.422 1.00 0.00 C ATOM 175 CD LYS A 11 29.998 -3.411 11.391 1.00 0.00 C ATOM 176 CE LYS A 11 29.799 -4.921 11.543 1.00 0.00 C ATOM 177 NZ LYS A 11 29.106 -5.085 12.853 1.00 0.00 N ATOM 0 H LYS A 11 32.683 -2.126 7.833 1.00 0.00 H new ATOM 0 HA LYS A 11 31.065 -0.875 9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.336 -3.348 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.985 -3.277 9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 11 32.045 -3.914 11.877 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.675 -2.208 12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.485 -2.883 12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.561 -3.068 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.201 -5.325 10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.753 -5.449 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 28.934 -6.095 13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.702 -4.697 13.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 28.199 -4.577 12.832 1.00 0.00 H new ATOM 191 N GLU A 12 34.279 -0.662 10.249 1.00 0.00 N ATOM 192 CA GLU A 12 35.314 0.006 11.084 1.00 0.00 C ATOM 193 C GLU A 12 35.166 1.523 10.985 1.00 0.00 C ATOM 194 O GLU A 12 35.626 2.257 11.837 1.00 0.00 O ATOM 195 CB GLU A 12 36.651 -0.442 10.493 1.00 0.00 C ATOM 196 CG GLU A 12 37.146 -1.686 11.233 1.00 0.00 C ATOM 197 CD GLU A 12 38.164 -1.275 12.298 1.00 0.00 C ATOM 198 OE1 GLU A 12 38.882 -0.317 12.065 1.00 0.00 O ATOM 199 OE2 GLU A 12 38.208 -1.926 13.329 1.00 0.00 O ATOM 0 H GLU A 12 34.627 -1.106 9.399 1.00 0.00 H new ATOM 0 HA GLU A 12 35.228 -0.256 12.139 1.00 0.00 H new ATOM 0 HB2 GLU A 12 36.536 -0.659 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 12 37.385 0.360 10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 12 36.307 -2.204 11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 12 37.601 -2.383 10.530 1.00 0.00 H new ATOM 206 N LEU A 13 34.525 2.002 9.954 1.00 0.00 N ATOM 207 CA LEU A 13 34.353 3.472 9.816 1.00 0.00 C ATOM 208 C LEU A 13 33.174 3.941 10.671 1.00 0.00 C ATOM 209 O LEU A 13 33.220 4.989 11.285 1.00 0.00 O ATOM 210 CB LEU A 13 34.088 3.705 8.330 1.00 0.00 C ATOM 211 CG LEU A 13 35.405 4.061 7.637 1.00 0.00 C ATOM 212 CD1 LEU A 13 35.232 3.961 6.121 1.00 0.00 C ATOM 213 CD2 LEU A 13 35.807 5.489 8.009 1.00 0.00 C ATOM 0 H LEU A 13 34.116 1.441 9.207 1.00 0.00 H new ATOM 0 HA LEU A 13 35.226 4.030 10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 13 33.656 2.811 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 13 33.364 4.509 8.199 1.00 0.00 H new ATOM 0 HG LEU A 13 36.181 3.367 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 13 36.171 4.215 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 13 34.946 2.944 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 13 34.455 4.653 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 13 36.745 5.743 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 13 35.029 6.181 7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 13 35.934 5.562 9.089 1.00 0.00 H new ATOM 225 N TRP A 14 32.122 3.170 10.729 1.00 0.00 N ATOM 226 CA TRP A 14 30.952 3.577 11.563 1.00 0.00 C ATOM 227 C TRP A 14 31.352 3.594 13.035 1.00 0.00 C ATOM 228 O TRP A 14 31.034 4.507 13.770 1.00 0.00 O ATOM 229 CB TRP A 14 29.893 2.504 11.326 1.00 0.00 C ATOM 230 CG TRP A 14 28.798 3.068 10.491 1.00 0.00 C ATOM 231 CD1 TRP A 14 27.808 3.889 10.928 1.00 0.00 C ATOM 232 CD2 TRP A 14 28.566 2.868 9.079 1.00 0.00 C ATOM 233 NE1 TRP A 14 26.985 4.199 9.867 1.00 0.00 N ATOM 234 CE2 TRP A 14 27.409 3.597 8.706 1.00 0.00 C ATOM 235 CE3 TRP A 14 29.243 2.126 8.083 1.00 0.00 C ATOM 236 CZ2 TRP A 14 26.940 3.590 7.392 1.00 0.00 C ATOM 237 CZ3 TRP A 14 28.777 2.117 6.755 1.00 0.00 C ATOM 238 CH2 TRP A 14 27.627 2.848 6.407 1.00 0.00 C ATOM 0 H TRP A 14 32.021 2.281 10.239 1.00 0.00 H new ATOM 0 HA TRP A 14 30.589 4.572 11.304 1.00 0.00 H new ATOM 0 HB2 TRP A 14 30.338 1.642 10.829 1.00 0.00 H new ATOM 0 HB3 TRP A 14 29.495 2.153 12.278 1.00 0.00 H new ATOM 0 HD1 TRP A 14 27.686 4.241 11.942 1.00 0.00 H new ATOM 0 HE1 TRP A 14 26.164 4.800 9.935 1.00 0.00 H new ATOM 0 HE3 TRP A 14 30.126 1.561 8.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 26.055 4.150 7.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 29.303 1.548 6.003 1.00 0.00 H new ATOM 0 HH2 TRP A 14 27.270 2.842 5.388 1.00 0.00 H new ATOM 249 N LYS A 15 32.048 2.582 13.466 1.00 0.00 N ATOM 250 CA LYS A 15 32.474 2.521 14.888 1.00 0.00 C ATOM 251 C LYS A 15 33.970 2.826 14.995 1.00 0.00 C ATOM 252 O LYS A 15 34.795 1.938 15.093 1.00 0.00 O ATOM 253 CB LYS A 15 32.164 1.087 15.310 1.00 0.00 C ATOM 254 CG LYS A 15 32.674 0.846 16.733 1.00 0.00 C ATOM 255 CD LYS A 15 31.723 1.505 17.734 1.00 0.00 C ATOM 256 CE LYS A 15 31.688 0.683 19.024 1.00 0.00 C ATOM 257 NZ LYS A 15 30.559 1.254 19.810 1.00 0.00 N ATOM 0 H LYS A 15 32.341 1.792 12.892 1.00 0.00 H new ATOM 0 HA LYS A 15 31.967 3.248 15.523 1.00 0.00 H new ATOM 0 HB2 LYS A 15 31.090 0.908 15.263 1.00 0.00 H new ATOM 0 HB3 LYS A 15 32.634 0.385 14.621 1.00 0.00 H new ATOM 0 HG2 LYS A 15 32.742 -0.224 16.930 1.00 0.00 H new ATOM 0 HG3 LYS A 15 33.678 1.255 16.845 1.00 0.00 H new ATOM 0 HD2 LYS A 15 32.051 2.522 17.948 1.00 0.00 H new ATOM 0 HD3 LYS A 15 30.722 1.576 17.308 1.00 0.00 H new ATOM 0 HE2 LYS A 15 31.529 -0.375 18.815 1.00 0.00 H new ATOM 0 HE3 LYS A 15 32.629 0.762 19.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 30.470 0.743 20.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 30.742 2.260 20.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 29.676 1.159 19.269 1.00 0.00 H new ATOM 271 N GLY A 16 34.321 4.082 14.963 1.00 0.00 N ATOM 272 CA GLY A 16 35.756 4.470 15.048 1.00 0.00 C ATOM 273 C GLY A 16 35.900 5.926 14.594 1.00 0.00 C ATOM 274 O GLY A 16 35.771 6.838 15.387 1.00 0.00 O ATOM 0 H GLY A 16 33.669 4.862 14.881 1.00 0.00 H new ATOM 0 HA2 GLY A 16 36.118 4.355 16.070 1.00 0.00 H new ATOM 0 HA3 GLY A 16 36.362 3.817 14.420 1.00 0.00 H new ATOM 278 N PRO A 17 36.154 6.098 13.321 1.00 0.00 N ATOM 279 CA PRO A 17 36.304 7.458 12.754 1.00 0.00 C ATOM 280 C PRO A 17 34.919 8.092 12.575 1.00 0.00 C ATOM 281 O PRO A 17 33.966 7.699 13.219 1.00 0.00 O ATOM 282 CB PRO A 17 36.977 7.207 11.405 1.00 0.00 C ATOM 283 CG PRO A 17 36.598 5.808 11.029 1.00 0.00 C ATOM 284 CD PRO A 17 36.327 5.051 12.306 1.00 0.00 C ATOM 0 HA PRO A 17 36.878 8.139 13.382 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.636 7.922 10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 17 38.059 7.315 11.479 1.00 0.00 H new ATOM 0 HG2 PRO A 17 35.715 5.809 10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 17 37.400 5.332 10.465 1.00 0.00 H new ATOM 0 HD2 PRO A 17 35.435 4.431 12.219 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.154 4.387 12.557 1.00 0.00 H new ATOM 292 N ARG A 18 34.794 9.065 11.711 1.00 0.00 N ATOM 293 CA ARG A 18 33.464 9.711 11.496 1.00 0.00 C ATOM 294 C ARG A 18 32.382 8.643 11.266 1.00 0.00 C ATOM 295 O ARG A 18 32.663 7.462 11.213 1.00 0.00 O ATOM 296 CB ARG A 18 33.650 10.612 10.255 1.00 0.00 C ATOM 297 CG ARG A 18 33.493 9.811 8.946 1.00 0.00 C ATOM 298 CD ARG A 18 34.637 8.806 8.807 1.00 0.00 C ATOM 299 NE ARG A 18 35.874 9.638 8.762 1.00 0.00 N ATOM 300 CZ ARG A 18 36.188 10.280 7.671 1.00 0.00 C ATOM 301 NH1 ARG A 18 36.369 9.622 6.561 1.00 0.00 N ATOM 302 NH2 ARG A 18 36.320 11.578 7.689 1.00 0.00 N ATOM 0 H ARG A 18 35.555 9.441 11.145 1.00 0.00 H new ATOM 0 HA ARG A 18 33.137 10.291 12.359 1.00 0.00 H new ATOM 0 HB2 ARG A 18 32.919 11.420 10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 18 34.637 11.074 10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 18 32.536 9.288 8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 18 33.489 10.490 8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 18 34.658 8.112 9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 18 34.530 8.208 7.902 1.00 0.00 H new ATOM 0 HE ARG A 18 36.474 9.705 9.584 1.00 0.00 H new ATOM 0 HH11 ARG A 18 36.265 8.607 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 18 36.615 10.122 5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 18 36.178 12.093 8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 18 36.566 12.078 6.834 1.00 0.00 H new ATOM 316 N ARG A 19 31.153 9.050 11.119 1.00 0.00 N ATOM 317 CA ARG A 19 30.072 8.052 10.885 1.00 0.00 C ATOM 318 C ARG A 19 29.022 8.613 9.920 1.00 0.00 C ATOM 319 O ARG A 19 28.509 7.909 9.074 1.00 0.00 O ATOM 320 CB ARG A 19 29.457 7.803 12.261 1.00 0.00 C ATOM 321 CG ARG A 19 28.500 6.612 12.183 1.00 0.00 C ATOM 322 CD ARG A 19 27.430 6.746 13.269 1.00 0.00 C ATOM 323 NE ARG A 19 28.132 6.407 14.539 1.00 0.00 N ATOM 324 CZ ARG A 19 27.476 6.409 15.667 1.00 0.00 C ATOM 325 NH1 ARG A 19 27.197 7.539 16.257 1.00 0.00 N ATOM 326 NH2 ARG A 19 27.101 5.281 16.205 1.00 0.00 N ATOM 0 H ARG A 19 30.851 10.024 11.150 1.00 0.00 H new ATOM 0 HA ARG A 19 30.452 7.135 10.435 1.00 0.00 H new ATOM 0 HB2 ARG A 19 30.241 7.606 12.992 1.00 0.00 H new ATOM 0 HB3 ARG A 19 28.923 8.691 12.599 1.00 0.00 H new ATOM 0 HG2 ARG A 19 28.032 6.571 11.199 1.00 0.00 H new ATOM 0 HG3 ARG A 19 29.051 5.680 12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 19 27.022 7.756 13.300 1.00 0.00 H new ATOM 0 HD3 ARG A 19 26.594 6.070 13.086 1.00 0.00 H new ATOM 0 HE ARG A 19 29.125 6.174 14.527 1.00 0.00 H new ATOM 0 HH11 ARG A 19 27.492 8.420 15.836 1.00 0.00 H new ATOM 0 HH12 ARG A 19 26.684 7.541 17.139 1.00 0.00 H new ATOM 0 HH21 ARG A 19 27.321 4.398 15.744 1.00 0.00 H new ATOM 0 HH22 ARG A 19 26.588 5.282 17.087 1.00 0.00 H new ATOM 340 N GLY A 20 28.692 9.869 10.042 1.00 0.00 N ATOM 341 CA GLY A 20 27.671 10.464 9.133 1.00 0.00 C ATOM 342 C GLY A 20 28.166 10.407 7.684 1.00 0.00 C ATOM 343 O GLY A 20 27.424 10.082 6.780 1.00 0.00 O ATOM 0 H GLY A 20 29.085 10.510 10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.729 9.923 9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.475 11.497 9.419 1.00 0.00 H new ATOM 347 N GLU A 21 29.411 10.726 7.455 1.00 0.00 N ATOM 348 CA GLU A 21 29.945 10.694 6.060 1.00 0.00 C ATOM 349 C GLU A 21 29.968 9.258 5.529 1.00 0.00 C ATOM 350 O GLU A 21 29.882 9.024 4.340 1.00 0.00 O ATOM 351 CB GLU A 21 31.366 11.248 6.169 1.00 0.00 C ATOM 352 CG GLU A 21 31.422 12.638 5.530 1.00 0.00 C ATOM 353 CD GLU A 21 32.229 13.578 6.427 1.00 0.00 C ATOM 354 OE1 GLU A 21 31.683 14.033 7.418 1.00 0.00 O ATOM 355 OE2 GLU A 21 33.380 13.828 6.107 1.00 0.00 O ATOM 0 H GLU A 21 30.081 11.007 8.171 1.00 0.00 H new ATOM 0 HA GLU A 21 29.331 11.274 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 21 31.666 11.305 7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 21 32.068 10.579 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 21 31.880 12.578 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 21 30.413 13.027 5.391 1.00 0.00 H new ATOM 362 N ILE A 22 30.083 8.295 6.401 1.00 0.00 N ATOM 363 CA ILE A 22 30.111 6.873 5.948 1.00 0.00 C ATOM 364 C ILE A 22 28.716 6.448 5.484 1.00 0.00 C ATOM 365 O ILE A 22 28.525 5.996 4.370 1.00 0.00 O ATOM 366 CB ILE A 22 30.538 6.078 7.186 1.00 0.00 C ATOM 367 CG1 ILE A 22 31.847 6.646 7.753 1.00 0.00 C ATOM 368 CG2 ILE A 22 30.734 4.606 6.812 1.00 0.00 C ATOM 369 CD1 ILE A 22 32.900 6.771 6.645 1.00 0.00 C ATOM 0 H ILE A 22 30.159 8.430 7.409 1.00 0.00 H new ATOM 0 HA ILE A 22 30.787 6.711 5.109 1.00 0.00 H new ATOM 0 HB ILE A 22 29.759 6.158 7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 22 31.663 7.623 8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 22 32.219 5.997 8.546 1.00 0.00 H new ATOM 0 HG21 ILE A 22 31.038 4.044 7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.798 4.201 6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 22 31.506 4.525 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 22 33.822 7.175 7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 22 33.096 5.788 6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 22 32.531 7.439 5.866 1.00 0.00 H new ATOM 381 N GLU A 23 27.737 6.599 6.329 1.00 0.00 N ATOM 382 CA GLU A 23 26.357 6.221 5.941 1.00 0.00 C ATOM 383 C GLU A 23 25.919 7.078 4.756 1.00 0.00 C ATOM 384 O GLU A 23 25.106 6.671 3.946 1.00 0.00 O ATOM 385 CB GLU A 23 25.526 6.484 7.201 1.00 0.00 C ATOM 386 CG GLU A 23 24.073 6.097 6.960 1.00 0.00 C ATOM 387 CD GLU A 23 23.197 7.350 6.987 1.00 0.00 C ATOM 388 OE1 GLU A 23 23.216 8.042 7.992 1.00 0.00 O ATOM 389 OE2 GLU A 23 22.521 7.597 6.002 1.00 0.00 O ATOM 0 H GLU A 23 27.836 6.969 7.274 1.00 0.00 H new ATOM 0 HA GLU A 23 26.251 5.185 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 23 25.929 5.913 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 23 25.589 7.537 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 23 23.975 5.593 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.742 5.393 7.724 1.00 0.00 H new ATOM 396 N GLU A 24 26.488 8.244 4.615 1.00 0.00 N ATOM 397 CA GLU A 24 26.137 9.091 3.446 1.00 0.00 C ATOM 398 C GLU A 24 26.697 8.410 2.201 1.00 0.00 C ATOM 399 O GLU A 24 26.099 8.413 1.142 1.00 0.00 O ATOM 400 CB GLU A 24 26.825 10.434 3.693 1.00 0.00 C ATOM 401 CG GLU A 24 26.615 11.343 2.480 1.00 0.00 C ATOM 402 CD GLU A 24 26.710 12.806 2.916 1.00 0.00 C ATOM 403 OE1 GLU A 24 25.992 13.179 3.829 1.00 0.00 O ATOM 404 OE2 GLU A 24 27.499 13.528 2.330 1.00 0.00 O ATOM 0 H GLU A 24 27.175 8.642 5.255 1.00 0.00 H new ATOM 0 HA GLU A 24 25.065 9.232 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.418 10.904 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.890 10.283 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.365 11.130 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 24 25.641 11.149 2.031 1.00 0.00 H new ATOM 411 N LEU A 25 27.841 7.798 2.346 1.00 0.00 N ATOM 412 CA LEU A 25 28.463 7.075 1.204 1.00 0.00 C ATOM 413 C LEU A 25 27.558 5.920 0.786 1.00 0.00 C ATOM 414 O LEU A 25 27.498 5.555 -0.367 1.00 0.00 O ATOM 415 CB LEU A 25 29.786 6.529 1.743 1.00 0.00 C ATOM 416 CG LEU A 25 30.596 5.935 0.588 1.00 0.00 C ATOM 417 CD1 LEU A 25 31.406 7.039 -0.092 1.00 0.00 C ATOM 418 CD2 LEU A 25 31.545 4.864 1.129 1.00 0.00 C ATOM 0 H LEU A 25 28.374 7.769 3.215 1.00 0.00 H new ATOM 0 HA LEU A 25 28.613 7.719 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 25 30.351 7.326 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 25 29.597 5.767 2.499 1.00 0.00 H new ATOM 0 HG LEU A 25 29.917 5.487 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 25 31.982 6.614 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 30.729 7.801 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 25 32.085 7.490 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 25 32.122 4.441 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 25 32.223 5.312 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 25 30.967 4.075 1.611 1.00 0.00 H new ATOM 430 N HIS A 26 26.852 5.343 1.722 1.00 0.00 N ATOM 431 CA HIS A 26 25.943 4.212 1.377 1.00 0.00 C ATOM 432 C HIS A 26 24.745 4.734 0.576 1.00 0.00 C ATOM 433 O HIS A 26 24.287 4.103 -0.355 1.00 0.00 O ATOM 434 CB HIS A 26 25.496 3.630 2.717 1.00 0.00 C ATOM 435 CG HIS A 26 24.453 2.572 2.477 1.00 0.00 C ATOM 436 ND1 HIS A 26 24.758 1.332 1.938 1.00 0.00 N ATOM 437 CD2 HIS A 26 23.101 2.566 2.690 1.00 0.00 C ATOM 438 CE1 HIS A 26 23.607 0.637 1.847 1.00 0.00 C ATOM 439 NE2 HIS A 26 22.566 1.345 2.292 1.00 0.00 N ATOM 0 H HIS A 26 26.865 5.605 2.708 1.00 0.00 H new ATOM 0 HA HIS A 26 26.432 3.457 0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 26 26.349 3.203 3.244 1.00 0.00 H new ATOM 0 HB3 HIS A 26 25.092 4.418 3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 26 22.534 3.386 3.105 1.00 0.00 H new ATOM 0 HE1 HIS A 26 23.535 -0.369 1.461 1.00 0.00 H new ATOM 0 HE2 HIS A 26 21.589 1.054 2.332 1.00 0.00 H new ATOM 447 N LYS A 27 24.236 5.885 0.921 1.00 0.00 N ATOM 448 CA LYS A 27 23.079 6.433 0.157 1.00 0.00 C ATOM 449 C LYS A 27 23.484 6.612 -1.308 1.00 0.00 C ATOM 450 O LYS A 27 22.817 6.146 -2.215 1.00 0.00 O ATOM 451 CB LYS A 27 22.773 7.784 0.805 1.00 0.00 C ATOM 452 CG LYS A 27 21.299 8.132 0.589 1.00 0.00 C ATOM 453 CD LYS A 27 20.501 7.773 1.845 1.00 0.00 C ATOM 454 CE LYS A 27 20.918 8.691 2.996 1.00 0.00 C ATOM 455 NZ LYS A 27 19.782 8.635 3.959 1.00 0.00 N ATOM 0 H LYS A 27 24.567 6.465 1.692 1.00 0.00 H new ATOM 0 HA LYS A 27 22.208 5.778 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 27 22.996 7.747 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 27 23.407 8.558 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 27 21.193 9.194 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.908 7.588 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.433 7.877 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 27 20.677 6.732 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 27 21.845 8.350 3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 27 21.091 9.709 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.991 9.240 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.915 8.971 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.646 7.655 4.278 1.00 0.00 H new ATOM 469 N LYS A 28 24.587 7.268 -1.548 1.00 0.00 N ATOM 470 CA LYS A 28 25.042 7.456 -2.952 1.00 0.00 C ATOM 471 C LYS A 28 25.270 6.088 -3.594 1.00 0.00 C ATOM 472 O LYS A 28 24.920 5.861 -4.733 1.00 0.00 O ATOM 473 CB LYS A 28 26.354 8.233 -2.848 1.00 0.00 C ATOM 474 CG LYS A 28 26.070 9.643 -2.327 1.00 0.00 C ATOM 475 CD LYS A 28 26.863 10.660 -3.151 1.00 0.00 C ATOM 476 CE LYS A 28 26.369 12.072 -2.829 1.00 0.00 C ATOM 477 NZ LYS A 28 26.988 12.941 -3.869 1.00 0.00 N ATOM 0 H LYS A 28 25.189 7.680 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 28 24.315 7.988 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 28 27.042 7.718 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.837 8.284 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.003 9.858 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.346 9.716 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 28 27.926 10.575 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.743 10.455 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 28 25.281 12.128 -2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 28 26.672 12.378 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 26.696 13.927 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 28.024 12.873 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 26.676 12.630 -4.811 1.00 0.00 H new ATOM 491 N PHE A 29 25.841 5.170 -2.856 1.00 0.00 N ATOM 492 CA PHE A 29 26.085 3.802 -3.400 1.00 0.00 C ATOM 493 C PHE A 29 24.782 3.238 -3.958 1.00 0.00 C ATOM 494 O PHE A 29 24.771 2.539 -4.951 1.00 0.00 O ATOM 495 CB PHE A 29 26.576 2.982 -2.202 1.00 0.00 C ATOM 496 CG PHE A 29 28.056 3.227 -1.944 1.00 0.00 C ATOM 497 CD1 PHE A 29 28.766 4.247 -2.635 1.00 0.00 C ATOM 498 CD2 PHE A 29 28.732 2.424 -0.999 1.00 0.00 C ATOM 499 CE1 PHE A 29 30.137 4.453 -2.379 1.00 0.00 C ATOM 500 CE2 PHE A 29 30.105 2.633 -0.744 1.00 0.00 C ATOM 501 CZ PHE A 29 30.807 3.647 -1.435 1.00 0.00 C ATOM 0 H PHE A 29 26.150 5.312 -1.894 1.00 0.00 H new ATOM 0 HA PHE A 29 26.811 3.790 -4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.000 3.246 -1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 29 26.406 1.922 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 29 28.254 4.865 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 29 28.198 1.649 -0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 29 30.674 5.228 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 29 30.619 2.018 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 29 31.857 3.805 -1.240 1.00 0.00 H new ATOM 511 N HIS A 30 23.678 3.562 -3.345 1.00 0.00 N ATOM 512 CA HIS A 30 22.377 3.072 -3.868 1.00 0.00 C ATOM 513 C HIS A 30 22.120 3.757 -5.205 1.00 0.00 C ATOM 514 O HIS A 30 21.699 3.142 -6.163 1.00 0.00 O ATOM 515 CB HIS A 30 21.341 3.483 -2.821 1.00 0.00 C ATOM 516 CG HIS A 30 19.996 2.927 -3.198 1.00 0.00 C ATOM 517 ND1 HIS A 30 19.426 1.856 -2.529 1.00 0.00 N ATOM 518 CD2 HIS A 30 19.094 3.284 -4.170 1.00 0.00 C ATOM 519 CE1 HIS A 30 18.234 1.607 -3.102 1.00 0.00 C ATOM 520 NE2 HIS A 30 17.983 2.449 -4.108 1.00 0.00 N ATOM 0 H HIS A 30 23.622 4.142 -2.508 1.00 0.00 H new ATOM 0 HA HIS A 30 22.346 1.995 -4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 30 21.636 3.114 -1.839 1.00 0.00 H new ATOM 0 HB3 HIS A 30 21.290 4.570 -2.752 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.227 4.091 -4.876 1.00 0.00 H new ATOM 0 HE1 HIS A 30 17.562 0.822 -2.787 1.00 0.00 H new ATOM 0 HE2 HIS A 30 17.155 2.474 -4.703 1.00 0.00 H new ATOM 528 N GLU A 31 22.416 5.026 -5.285 1.00 0.00 N ATOM 529 CA GLU A 31 22.240 5.750 -6.573 1.00 0.00 C ATOM 530 C GLU A 31 23.509 5.577 -7.428 1.00 0.00 C ATOM 531 O GLU A 31 23.648 6.166 -8.481 1.00 0.00 O ATOM 532 CB GLU A 31 22.046 7.216 -6.185 1.00 0.00 C ATOM 533 CG GLU A 31 20.581 7.457 -5.815 1.00 0.00 C ATOM 534 CD GLU A 31 20.509 8.296 -4.538 1.00 0.00 C ATOM 535 OE1 GLU A 31 20.946 9.434 -4.576 1.00 0.00 O ATOM 536 OE2 GLU A 31 20.017 7.786 -3.544 1.00 0.00 O ATOM 0 H GLU A 31 22.772 5.591 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 31 21.397 5.378 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 31 22.691 7.469 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 31 22.334 7.864 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.069 7.970 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.071 6.505 -5.667 1.00 0.00 H new ATOM 543 N LEU A 32 24.434 4.764 -6.971 1.00 0.00 N ATOM 544 CA LEU A 32 25.697 4.532 -7.730 1.00 0.00 C ATOM 545 C LEU A 32 25.572 3.255 -8.560 1.00 0.00 C ATOM 546 O LEU A 32 26.113 3.147 -9.642 1.00 0.00 O ATOM 547 CB LEU A 32 26.762 4.335 -6.642 1.00 0.00 C ATOM 548 CG LEU A 32 28.160 4.677 -7.171 1.00 0.00 C ATOM 549 CD1 LEU A 32 29.160 4.587 -6.016 1.00 0.00 C ATOM 550 CD2 LEU A 32 28.572 3.685 -8.259 1.00 0.00 C ATOM 0 H LEU A 32 24.363 4.248 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 32 25.934 5.349 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 32 26.530 4.965 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 32 26.744 3.302 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 32 28.148 5.683 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 32 30.159 4.828 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 32 28.878 5.293 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 32 29.156 3.576 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 32 29.566 3.939 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 32 28.585 2.676 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 32 27.859 3.731 -9.082 1.00 0.00 H new ATOM 562 N ILE A 33 24.884 2.272 -8.044 1.00 0.00 N ATOM 563 CA ILE A 33 24.758 0.987 -8.791 1.00 0.00 C ATOM 564 C ILE A 33 23.286 0.662 -9.076 1.00 0.00 C ATOM 565 O ILE A 33 22.974 -0.162 -9.912 1.00 0.00 O ATOM 566 CB ILE A 33 25.389 -0.060 -7.864 1.00 0.00 C ATOM 567 CG1 ILE A 33 24.514 -0.234 -6.617 1.00 0.00 C ATOM 568 CG2 ILE A 33 26.794 0.406 -7.453 1.00 0.00 C ATOM 569 CD1 ILE A 33 25.106 -1.309 -5.710 1.00 0.00 C ATOM 0 H ILE A 33 24.406 2.302 -7.143 1.00 0.00 H new ATOM 0 HA ILE A 33 25.249 1.022 -9.764 1.00 0.00 H new ATOM 0 HB ILE A 33 25.463 -1.014 -8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 33 24.444 0.710 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 33 23.501 -0.510 -6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.245 -0.336 -6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.413 0.525 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.723 1.360 -6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 33 24.478 -1.426 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 33 25.153 -2.255 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 33 26.110 -1.015 -5.405 1.00 0.00 H new ATOM 581 N LYS A 34 22.381 1.301 -8.386 1.00 0.00 N ATOM 582 CA LYS A 34 20.933 1.026 -8.618 1.00 0.00 C ATOM 583 C LYS A 34 20.658 -0.478 -8.528 1.00 0.00 C ATOM 584 O LYS A 34 20.709 -1.188 -9.513 1.00 0.00 O ATOM 585 CB LYS A 34 20.653 1.540 -10.030 1.00 0.00 C ATOM 586 CG LYS A 34 19.455 2.492 -9.998 1.00 0.00 C ATOM 587 CD LYS A 34 18.158 1.681 -10.006 1.00 0.00 C ATOM 588 CE LYS A 34 17.002 2.571 -10.466 1.00 0.00 C ATOM 589 NZ LYS A 34 16.683 2.100 -11.843 1.00 0.00 N ATOM 0 H LYS A 34 22.581 2.001 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 34 20.297 1.509 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.530 2.055 -10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.449 0.704 -10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 34 19.499 3.119 -9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.484 3.159 -10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.257 0.823 -10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.955 1.290 -9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.141 2.473 -9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.288 3.623 -10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.898 2.662 -12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.520 2.211 -12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.408 1.097 -11.812 1.00 0.00 H new ATOM 603 N GLY A 35 20.368 -0.968 -7.354 1.00 0.00 N ATOM 604 CA GLY A 35 20.092 -2.424 -7.203 1.00 0.00 C ATOM 605 C GLY A 35 21.373 -3.144 -6.777 1.00 0.00 C ATOM 606 O GLY A 35 22.200 -3.399 -7.637 1.00 0.00 O ATOM 607 OXT GLY A 35 21.506 -3.428 -5.598 1.00 0.00 O ATOM 0 H GLY A 35 20.310 -0.423 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.309 -2.582 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.727 -2.835 -8.144 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 39.887 10.875 3.611 1.00 0.00 N ATOM 613 CA GLY B 1 39.600 10.189 4.903 1.00 0.00 C ATOM 614 C GLY B 1 39.553 8.676 4.678 1.00 0.00 C ATOM 615 O GLY B 1 39.922 8.182 3.631 1.00 0.00 O ATOM 0 H1 GLY B 1 40.741 11.460 3.711 1.00 0.00 H new ATOM 0 H2 GLY B 1 40.039 10.164 2.867 1.00 0.00 H new ATOM 0 H3 GLY B 1 39.081 11.480 3.353 1.00 0.00 H new ATOM 0 HA2 GLY B 1 40.368 10.435 5.636 1.00 0.00 H new ATOM 0 HA3 GLY B 1 38.650 10.537 5.308 1.00 0.00 H new ATOM 621 N GLU B 2 39.101 7.936 5.654 1.00 0.00 N ATOM 622 CA GLU B 2 39.029 6.454 5.496 1.00 0.00 C ATOM 623 C GLU B 2 37.836 6.071 4.617 1.00 0.00 C ATOM 624 O GLU B 2 37.787 4.994 4.056 1.00 0.00 O ATOM 625 CB GLU B 2 38.843 5.914 6.914 1.00 0.00 C ATOM 626 CG GLU B 2 40.204 5.820 7.607 1.00 0.00 C ATOM 627 CD GLU B 2 40.002 5.445 9.077 1.00 0.00 C ATOM 628 OE1 GLU B 2 39.383 6.221 9.786 1.00 0.00 O ATOM 629 OE2 GLU B 2 40.469 4.388 9.468 1.00 0.00 O ATOM 0 H GLU B 2 38.779 8.293 6.554 1.00 0.00 H new ATOM 0 HA GLU B 2 39.919 6.047 5.017 1.00 0.00 H new ATOM 0 HB2 GLU B 2 38.179 6.568 7.480 1.00 0.00 H new ATOM 0 HB3 GLU B 2 38.371 4.932 6.882 1.00 0.00 H new ATOM 0 HG2 GLU B 2 40.825 5.074 7.112 1.00 0.00 H new ATOM 0 HG3 GLU B 2 40.729 6.772 7.532 1.00 0.00 H new ATOM 636 N VAL B 3 36.874 6.943 4.491 1.00 0.00 N ATOM 637 CA VAL B 3 35.687 6.627 3.646 1.00 0.00 C ATOM 638 C VAL B 3 36.067 6.695 2.166 1.00 0.00 C ATOM 639 O VAL B 3 35.585 5.932 1.354 1.00 0.00 O ATOM 640 CB VAL B 3 34.649 7.699 3.994 1.00 0.00 C ATOM 641 CG1 VAL B 3 35.150 9.076 3.545 1.00 0.00 C ATOM 642 CG2 VAL B 3 33.332 7.381 3.285 1.00 0.00 C ATOM 0 H VAL B 3 36.858 7.861 4.936 1.00 0.00 H new ATOM 0 HA VAL B 3 35.302 5.624 3.828 1.00 0.00 H new ATOM 0 HB VAL B 3 34.492 7.709 5.073 1.00 0.00 H new ATOM 0 HG11 VAL B 3 34.407 9.833 3.796 1.00 0.00 H new ATOM 0 HG12 VAL B 3 36.087 9.305 4.052 1.00 0.00 H new ATOM 0 HG13 VAL B 3 35.313 9.070 2.467 1.00 0.00 H new ATOM 0 HG21 VAL B 3 32.593 8.143 3.532 1.00 0.00 H new ATOM 0 HG22 VAL B 3 33.493 7.367 2.207 1.00 0.00 H new ATOM 0 HG23 VAL B 3 32.970 6.406 3.610 1.00 0.00 H new ATOM 652 N GLU B 4 36.933 7.604 1.812 1.00 0.00 N ATOM 653 CA GLU B 4 37.351 7.722 0.387 1.00 0.00 C ATOM 654 C GLU B 4 38.061 6.443 -0.065 1.00 0.00 C ATOM 655 O GLU B 4 38.229 6.199 -1.244 1.00 0.00 O ATOM 656 CB GLU B 4 38.317 8.906 0.354 1.00 0.00 C ATOM 657 CG GLU B 4 37.831 9.932 -0.673 1.00 0.00 C ATOM 658 CD GLU B 4 39.026 10.722 -1.211 1.00 0.00 C ATOM 659 OE1 GLU B 4 39.401 11.695 -0.577 1.00 0.00 O ATOM 660 OE2 GLU B 4 39.545 10.341 -2.247 1.00 0.00 O ATOM 0 H GLU B 4 37.370 8.271 2.449 1.00 0.00 H new ATOM 0 HA GLU B 4 36.501 7.868 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU B 4 38.380 9.365 1.341 1.00 0.00 H new ATOM 0 HB3 GLU B 4 39.319 8.564 0.096 1.00 0.00 H new ATOM 0 HG2 GLU B 4 37.317 9.428 -1.491 1.00 0.00 H new ATOM 0 HG3 GLU B 4 37.111 10.609 -0.213 1.00 0.00 H new ATOM 667 N GLU B 5 38.481 5.621 0.860 1.00 0.00 N ATOM 668 CA GLU B 5 39.177 4.362 0.475 1.00 0.00 C ATOM 669 C GLU B 5 38.155 3.315 0.032 1.00 0.00 C ATOM 670 O GLU B 5 38.276 2.724 -1.022 1.00 0.00 O ATOM 671 CB GLU B 5 39.903 3.907 1.741 1.00 0.00 C ATOM 672 CG GLU B 5 40.984 4.928 2.103 1.00 0.00 C ATOM 673 CD GLU B 5 41.926 4.325 3.148 1.00 0.00 C ATOM 674 OE1 GLU B 5 42.850 3.632 2.754 1.00 0.00 O ATOM 675 OE2 GLU B 5 41.707 4.567 4.323 1.00 0.00 O ATOM 0 H GLU B 5 38.372 5.768 1.863 1.00 0.00 H new ATOM 0 HA GLU B 5 39.867 4.505 -0.357 1.00 0.00 H new ATOM 0 HB2 GLU B 5 39.194 3.805 2.563 1.00 0.00 H new ATOM 0 HB3 GLU B 5 40.352 2.926 1.583 1.00 0.00 H new ATOM 0 HG2 GLU B 5 41.545 5.211 1.212 1.00 0.00 H new ATOM 0 HG3 GLU B 5 40.525 5.837 2.493 1.00 0.00 H new ATOM 682 N LEU B 6 37.144 3.085 0.825 1.00 0.00 N ATOM 683 CA LEU B 6 36.118 2.080 0.433 1.00 0.00 C ATOM 684 C LEU B 6 35.320 2.613 -0.767 1.00 0.00 C ATOM 685 O LEU B 6 34.778 1.860 -1.550 1.00 0.00 O ATOM 686 CB LEU B 6 35.254 1.867 1.705 1.00 0.00 C ATOM 687 CG LEU B 6 33.940 2.668 1.661 1.00 0.00 C ATOM 688 CD1 LEU B 6 32.920 1.929 0.795 1.00 0.00 C ATOM 689 CD2 LEU B 6 33.376 2.810 3.078 1.00 0.00 C ATOM 0 H LEU B 6 36.985 3.546 1.721 1.00 0.00 H new ATOM 0 HA LEU B 6 36.535 1.127 0.108 1.00 0.00 H new ATOM 0 HB2 LEU B 6 35.027 0.806 1.813 1.00 0.00 H new ATOM 0 HB3 LEU B 6 35.827 2.162 2.584 1.00 0.00 H new ATOM 0 HG LEU B 6 34.137 3.655 1.242 1.00 0.00 H new ATOM 0 HD11 LEU B 6 31.990 2.496 0.764 1.00 0.00 H new ATOM 0 HD12 LEU B 6 33.312 1.820 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU B 6 32.730 0.943 1.219 1.00 0.00 H new ATOM 0 HD21 LEU B 6 32.446 3.377 3.044 1.00 0.00 H new ATOM 0 HD22 LEU B 6 33.183 1.821 3.494 1.00 0.00 H new ATOM 0 HD23 LEU B 6 34.097 3.333 3.706 1.00 0.00 H new ATOM 701 N GLU B 7 35.265 3.911 -0.918 1.00 0.00 N ATOM 702 CA GLU B 7 34.521 4.509 -2.065 1.00 0.00 C ATOM 703 C GLU B 7 35.294 4.288 -3.366 1.00 0.00 C ATOM 704 O GLU B 7 34.757 3.816 -4.351 1.00 0.00 O ATOM 705 CB GLU B 7 34.440 6.001 -1.746 1.00 0.00 C ATOM 706 CG GLU B 7 33.282 6.629 -2.526 1.00 0.00 C ATOM 707 CD GLU B 7 33.787 7.110 -3.888 1.00 0.00 C ATOM 708 OE1 GLU B 7 34.812 7.771 -3.918 1.00 0.00 O ATOM 709 OE2 GLU B 7 33.140 6.809 -4.877 1.00 0.00 O ATOM 0 H GLU B 7 35.706 4.585 -0.292 1.00 0.00 H new ATOM 0 HA GLU B 7 33.536 4.062 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU B 7 34.293 6.147 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU B 7 35.377 6.491 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU B 7 32.482 5.901 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU B 7 32.863 7.465 -1.966 1.00 0.00 H new ATOM 716 N LYS B 8 36.553 4.627 -3.379 1.00 0.00 N ATOM 717 CA LYS B 8 37.353 4.431 -4.618 1.00 0.00 C ATOM 718 C LYS B 8 37.345 2.955 -4.995 1.00 0.00 C ATOM 719 O LYS B 8 37.101 2.598 -6.127 1.00 0.00 O ATOM 720 CB LYS B 8 38.766 4.901 -4.272 1.00 0.00 C ATOM 721 CG LYS B 8 38.771 6.422 -4.106 1.00 0.00 C ATOM 722 CD LYS B 8 38.926 7.084 -5.476 1.00 0.00 C ATOM 723 CE LYS B 8 40.405 7.113 -5.866 1.00 0.00 C ATOM 724 NZ LYS B 8 40.437 6.643 -7.280 1.00 0.00 N ATOM 0 H LYS B 8 37.059 5.029 -2.590 1.00 0.00 H new ATOM 0 HA LYS B 8 36.954 4.985 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS B 8 39.105 4.423 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS B 8 39.461 4.608 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS B 8 37.845 6.750 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS B 8 39.587 6.724 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS B 8 38.353 6.535 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS B 8 38.526 8.098 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS B 8 40.818 8.117 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS B 8 40.997 6.464 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 41.419 6.635 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 40.043 5.682 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 39.871 7.284 -7.872 1.00 0.00 H new ATOM 738 N LYS B 9 37.582 2.093 -4.051 1.00 0.00 N ATOM 739 CA LYS B 9 37.552 0.638 -4.361 1.00 0.00 C ATOM 740 C LYS B 9 36.141 0.261 -4.817 1.00 0.00 C ATOM 741 O LYS B 9 35.937 -0.700 -5.529 1.00 0.00 O ATOM 742 CB LYS B 9 37.903 -0.060 -3.047 1.00 0.00 C ATOM 743 CG LYS B 9 39.336 -0.591 -3.118 1.00 0.00 C ATOM 744 CD LYS B 9 40.309 0.506 -2.682 1.00 0.00 C ATOM 745 CE LYS B 9 41.669 0.274 -3.343 1.00 0.00 C ATOM 746 NZ LYS B 9 42.589 1.235 -2.672 1.00 0.00 N ATOM 0 H LYS B 9 37.794 2.330 -3.082 1.00 0.00 H new ATOM 0 HA LYS B 9 38.244 0.355 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS B 9 37.803 0.637 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS B 9 37.209 -0.880 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS B 9 39.444 -1.464 -2.475 1.00 0.00 H new ATOM 0 HG3 LYS B 9 39.566 -0.913 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS B 9 39.919 1.485 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS B 9 40.415 0.503 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS B 9 42.004 -0.754 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS B 9 41.623 0.455 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 43.544 1.137 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 42.248 2.206 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 42.618 1.034 -1.652 1.00 0.00 H new ATOM 760 N PHE B 10 35.166 1.028 -4.402 1.00 0.00 N ATOM 761 CA PHE B 10 33.755 0.751 -4.793 1.00 0.00 C ATOM 762 C PHE B 10 33.579 0.831 -6.312 1.00 0.00 C ATOM 763 O PHE B 10 33.281 -0.150 -6.966 1.00 0.00 O ATOM 764 CB PHE B 10 32.952 1.865 -4.114 1.00 0.00 C ATOM 765 CG PHE B 10 31.551 1.401 -3.816 1.00 0.00 C ATOM 766 CD1 PHE B 10 31.323 0.427 -2.820 1.00 0.00 C ATOM 767 CD2 PHE B 10 30.462 1.960 -4.523 1.00 0.00 C ATOM 768 CE1 PHE B 10 30.006 0.012 -2.529 1.00 0.00 C ATOM 769 CE2 PHE B 10 29.145 1.543 -4.234 1.00 0.00 C ATOM 770 CZ PHE B 10 28.918 0.569 -3.236 1.00 0.00 C ATOM 0 H PHE B 10 35.291 1.843 -3.802 1.00 0.00 H new ATOM 0 HA PHE B 10 33.436 -0.248 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE B 10 33.446 2.165 -3.190 1.00 0.00 H new ATOM 0 HB3 PHE B 10 32.921 2.743 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE B 10 32.156 -0.000 -2.281 1.00 0.00 H new ATOM 0 HD2 PHE B 10 30.638 2.706 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE B 10 29.830 -0.732 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE B 10 28.312 1.968 -4.775 1.00 0.00 H new ATOM 0 HZ PHE B 10 27.910 0.250 -3.013 1.00 0.00 H new ATOM 780 N LYS B 11 33.749 1.994 -6.879 1.00 0.00 N ATOM 781 CA LYS B 11 33.567 2.131 -8.354 1.00 0.00 C ATOM 782 C LYS B 11 34.631 1.333 -9.106 1.00 0.00 C ATOM 783 O LYS B 11 34.393 0.812 -10.179 1.00 0.00 O ATOM 784 CB LYS B 11 33.716 3.624 -8.626 1.00 0.00 C ATOM 785 CG LYS B 11 33.464 3.900 -10.109 1.00 0.00 C ATOM 786 CD LYS B 11 32.018 4.362 -10.300 1.00 0.00 C ATOM 787 CE LYS B 11 31.987 5.882 -10.471 1.00 0.00 C ATOM 788 NZ LYS B 11 31.516 6.100 -11.868 1.00 0.00 N ATOM 0 H LYS B 11 34.005 2.851 -6.389 1.00 0.00 H new ATOM 0 HA LYS B 11 32.603 1.747 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS B 11 33.011 4.188 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS B 11 34.716 3.957 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS B 11 34.152 4.664 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS B 11 33.650 3.000 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS B 11 31.583 3.878 -11.174 1.00 0.00 H new ATOM 0 HD3 LYS B 11 31.415 4.070 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS B 11 31.315 6.347 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS B 11 32.974 6.318 -10.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 31.468 7.120 -12.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 32.179 5.652 -12.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 30.572 5.680 -11.985 1.00 0.00 H new ATOM 802 N GLU B 12 35.800 1.230 -8.549 1.00 0.00 N ATOM 803 CA GLU B 12 36.881 0.464 -9.224 1.00 0.00 C ATOM 804 C GLU B 12 36.578 -1.032 -9.160 1.00 0.00 C ATOM 805 O GLU B 12 37.089 -1.812 -9.938 1.00 0.00 O ATOM 806 CB GLU B 12 38.150 0.788 -8.436 1.00 0.00 C ATOM 807 CG GLU B 12 38.865 1.976 -9.082 1.00 0.00 C ATOM 808 CD GLU B 12 39.990 1.464 -9.984 1.00 0.00 C ATOM 809 OE1 GLU B 12 40.574 0.447 -9.649 1.00 0.00 O ATOM 810 OE2 GLU B 12 40.248 2.099 -10.994 1.00 0.00 O ATOM 0 H GLU B 12 36.056 1.644 -7.653 1.00 0.00 H new ATOM 0 HA GLU B 12 36.980 0.727 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU B 12 37.898 1.021 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU B 12 38.810 -0.080 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU B 12 38.158 2.567 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU B 12 39.271 2.632 -8.312 1.00 0.00 H new ATOM 817 N LEU B 13 35.747 -1.442 -8.240 1.00 0.00 N ATOM 818 CA LEU B 13 35.419 -2.889 -8.140 1.00 0.00 C ATOM 819 C LEU B 13 34.343 -3.251 -9.167 1.00 0.00 C ATOM 820 O LEU B 13 34.383 -4.301 -9.776 1.00 0.00 O ATOM 821 CB LEU B 13 34.912 -3.086 -6.713 1.00 0.00 C ATOM 822 CG LEU B 13 36.071 -3.559 -5.832 1.00 0.00 C ATOM 823 CD1 LEU B 13 35.682 -3.433 -4.360 1.00 0.00 C ATOM 824 CD2 LEU B 13 36.390 -5.020 -6.151 1.00 0.00 C ATOM 0 H LEU B 13 35.285 -0.840 -7.558 1.00 0.00 H new ATOM 0 HA LEU B 13 36.277 -3.529 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU B 13 34.503 -2.153 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU B 13 34.105 -3.818 -6.698 1.00 0.00 H new ATOM 0 HG LEU B 13 36.948 -2.943 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU B 13 36.509 -3.770 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU B 13 35.456 -2.392 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU B 13 34.803 -4.047 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU B 13 37.215 -5.358 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU B 13 35.511 -5.635 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU B 13 36.671 -5.110 -7.200 1.00 0.00 H new ATOM 836 N TRP B 14 33.388 -2.385 -9.376 1.00 0.00 N ATOM 837 CA TRP B 14 32.324 -2.685 -10.380 1.00 0.00 C ATOM 838 C TRP B 14 32.938 -2.749 -11.774 1.00 0.00 C ATOM 839 O TRP B 14 32.649 -3.633 -12.557 1.00 0.00 O ATOM 840 CB TRP B 14 31.347 -1.516 -10.296 1.00 0.00 C ATOM 841 CG TRP B 14 30.090 -1.969 -9.640 1.00 0.00 C ATOM 842 CD1 TRP B 14 29.106 -2.697 -10.226 1.00 0.00 C ATOM 843 CD2 TRP B 14 29.669 -1.738 -8.277 1.00 0.00 C ATOM 844 NE1 TRP B 14 28.107 -2.921 -9.303 1.00 0.00 N ATOM 845 CE2 TRP B 14 28.406 -2.353 -8.088 1.00 0.00 C ATOM 846 CE3 TRP B 14 30.255 -1.055 -7.186 1.00 0.00 C ATOM 847 CZ2 TRP B 14 27.747 -2.292 -6.859 1.00 0.00 C ATOM 848 CZ3 TRP B 14 29.597 -0.993 -5.944 1.00 0.00 C ATOM 849 CH2 TRP B 14 28.344 -1.611 -5.778 1.00 0.00 C ATOM 0 H TRP B 14 33.298 -1.488 -8.899 1.00 0.00 H new ATOM 0 HA TRP B 14 31.834 -3.639 -10.187 1.00 0.00 H new ATOM 0 HB2 TRP B 14 31.791 -0.697 -9.730 1.00 0.00 H new ATOM 0 HB3 TRP B 14 31.132 -1.135 -11.294 1.00 0.00 H new ATOM 0 HD1 TRP B 14 29.106 -3.044 -11.249 1.00 0.00 H new ATOM 0 HE1 TRP B 14 27.253 -3.443 -9.498 1.00 0.00 H new ATOM 0 HE3 TRP B 14 31.216 -0.577 -7.307 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 26.784 -2.765 -6.736 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 30.054 -0.470 -5.117 1.00 0.00 H new ATOM 0 HH2 TRP B 14 27.840 -1.564 -4.824 1.00 0.00 H new ATOM 860 N LYS B 15 33.783 -1.810 -12.088 1.00 0.00 N ATOM 861 CA LYS B 15 34.421 -1.799 -13.429 1.00 0.00 C ATOM 862 C LYS B 15 35.881 -2.243 -13.311 1.00 0.00 C ATOM 863 O LYS B 15 36.790 -1.438 -13.277 1.00 0.00 O ATOM 864 CB LYS B 15 34.315 -0.346 -13.883 1.00 0.00 C ATOM 865 CG LYS B 15 35.054 -0.165 -15.211 1.00 0.00 C ATOM 866 CD LYS B 15 34.207 -0.738 -16.348 1.00 0.00 C ATOM 867 CE LYS B 15 34.445 0.076 -17.622 1.00 0.00 C ATOM 868 NZ LYS B 15 33.398 -0.390 -18.574 1.00 0.00 N ATOM 0 H LYS B 15 34.060 -1.047 -11.470 1.00 0.00 H new ATOM 0 HA LYS B 15 33.949 -2.479 -14.138 1.00 0.00 H new ATOM 0 HB2 LYS B 15 33.268 -0.066 -13.998 1.00 0.00 H new ATOM 0 HB3 LYS B 15 34.740 0.313 -13.126 1.00 0.00 H new ATOM 0 HG2 LYS B 15 35.252 0.892 -15.388 1.00 0.00 H new ATOM 0 HG3 LYS B 15 36.020 -0.669 -15.173 1.00 0.00 H new ATOM 0 HD2 LYS B 15 34.466 -1.783 -16.518 1.00 0.00 H new ATOM 0 HD3 LYS B 15 33.151 -0.711 -16.078 1.00 0.00 H new ATOM 0 HE2 LYS B 15 34.357 1.145 -17.430 1.00 0.00 H new ATOM 0 HE3 LYS B 15 35.445 -0.095 -18.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 33.494 0.122 -19.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 33.511 -1.410 -18.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 32.457 -0.208 -18.171 1.00 0.00 H new ATOM 882 N GLY B 16 36.104 -3.526 -13.237 1.00 0.00 N ATOM 883 CA GLY B 16 37.493 -4.047 -13.109 1.00 0.00 C ATOM 884 C GLY B 16 37.430 -5.508 -12.649 1.00 0.00 C ATOM 885 O GLY B 16 37.336 -6.408 -13.459 1.00 0.00 O ATOM 0 H GLY B 16 35.377 -4.241 -13.260 1.00 0.00 H new ATOM 0 HA2 GLY B 16 38.013 -3.974 -14.064 1.00 0.00 H new ATOM 0 HA3 GLY B 16 38.056 -3.449 -12.392 1.00 0.00 H new ATOM 889 N PRO B 17 37.474 -5.694 -11.354 1.00 0.00 N ATOM 890 CA PRO B 17 37.408 -7.059 -10.781 1.00 0.00 C ATOM 891 C PRO B 17 35.958 -7.559 -10.817 1.00 0.00 C ATOM 892 O PRO B 17 35.155 -7.082 -11.593 1.00 0.00 O ATOM 893 CB PRO B 17 37.890 -6.863 -9.344 1.00 0.00 C ATOM 894 CG PRO B 17 37.593 -5.433 -9.020 1.00 0.00 C ATOM 895 CD PRO B 17 37.590 -4.662 -10.317 1.00 0.00 C ATOM 0 HA PRO B 17 38.004 -7.795 -11.321 1.00 0.00 H new ATOM 0 HB2 PRO B 17 37.373 -7.537 -8.660 1.00 0.00 H new ATOM 0 HB3 PRO B 17 38.956 -7.074 -9.254 1.00 0.00 H new ATOM 0 HG2 PRO B 17 36.628 -5.346 -8.521 1.00 0.00 H new ATOM 0 HG3 PRO B 17 38.342 -5.031 -8.338 1.00 0.00 H new ATOM 0 HD2 PRO B 17 36.757 -3.960 -10.360 1.00 0.00 H new ATOM 0 HD3 PRO B 17 38.504 -4.080 -10.436 1.00 0.00 H new ATOM 903 N ARG B 18 35.614 -8.511 -9.989 1.00 0.00 N ATOM 904 CA ARG B 18 34.212 -9.027 -9.982 1.00 0.00 C ATOM 905 C ARG B 18 33.213 -7.860 -9.909 1.00 0.00 C ATOM 906 O ARG B 18 33.592 -6.711 -9.806 1.00 0.00 O ATOM 907 CB ARG B 18 34.122 -9.933 -8.733 1.00 0.00 C ATOM 908 CG ARG B 18 33.847 -9.112 -7.457 1.00 0.00 C ATOM 909 CD ARG B 18 35.048 -8.219 -7.140 1.00 0.00 C ATOM 910 NE ARG B 18 36.180 -9.164 -6.917 1.00 0.00 N ATOM 911 CZ ARG B 18 36.263 -9.824 -5.796 1.00 0.00 C ATOM 912 NH1 ARG B 18 36.337 -9.178 -4.667 1.00 0.00 N ATOM 913 NH2 ARG B 18 36.272 -11.130 -5.803 1.00 0.00 N ATOM 0 H ARG B 18 36.242 -8.953 -9.318 1.00 0.00 H new ATOM 0 HA ARG B 18 33.966 -9.579 -10.889 1.00 0.00 H new ATOM 0 HB2 ARG B 18 33.329 -10.668 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG B 18 35.053 -10.487 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG B 18 32.955 -8.501 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG B 18 33.650 -9.781 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG B 18 35.260 -7.535 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG B 18 34.864 -7.608 -6.257 1.00 0.00 H new ATOM 0 HE ARG B 18 36.888 -9.294 -7.640 1.00 0.00 H new ATOM 0 HH11 ARG B 18 36.330 -8.158 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG B 18 36.402 -9.692 -3.789 1.00 0.00 H new ATOM 0 HH21 ARG B 18 36.214 -11.636 -6.687 1.00 0.00 H new ATOM 0 HH22 ARG B 18 36.337 -11.644 -4.925 1.00 0.00 H new ATOM 927 N ARG B 19 31.944 -8.148 -9.950 1.00 0.00 N ATOM 928 CA ARG B 19 30.937 -7.052 -9.874 1.00 0.00 C ATOM 929 C ARG B 19 29.705 -7.505 -9.083 1.00 0.00 C ATOM 930 O ARG B 19 29.139 -6.751 -8.319 1.00 0.00 O ATOM 931 CB ARG B 19 30.563 -6.756 -11.326 1.00 0.00 C ATOM 932 CG ARG B 19 29.720 -5.480 -11.384 1.00 0.00 C ATOM 933 CD ARG B 19 28.819 -5.521 -12.620 1.00 0.00 C ATOM 934 NE ARG B 19 29.733 -5.257 -13.767 1.00 0.00 N ATOM 935 CZ ARG B 19 29.258 -5.205 -14.981 1.00 0.00 C ATOM 936 NH1 ARG B 19 28.965 -6.307 -15.614 1.00 0.00 N ATOM 937 NH2 ARG B 19 29.076 -4.050 -15.561 1.00 0.00 N ATOM 0 H ARG B 19 31.560 -9.089 -10.032 1.00 0.00 H new ATOM 0 HA ARG B 19 31.329 -6.172 -9.364 1.00 0.00 H new ATOM 0 HB2 ARG B 19 31.464 -6.638 -11.928 1.00 0.00 H new ATOM 0 HB3 ARG B 19 30.006 -7.593 -11.747 1.00 0.00 H new ATOM 0 HG2 ARG B 19 29.115 -5.390 -10.482 1.00 0.00 H new ATOM 0 HG3 ARG B 19 30.368 -4.604 -11.422 1.00 0.00 H new ATOM 0 HD2 ARG B 19 28.329 -6.489 -12.720 1.00 0.00 H new ATOM 0 HD3 ARG B 19 28.032 -4.770 -12.561 1.00 0.00 H new ATOM 0 HE ARG B 19 30.730 -5.117 -13.603 1.00 0.00 H new ATOM 0 HH11 ARG B 19 29.107 -7.209 -15.160 1.00 0.00 H new ATOM 0 HH12 ARG B 19 28.594 -6.267 -16.563 1.00 0.00 H new ATOM 0 HH21 ARG B 19 29.305 -3.189 -15.065 1.00 0.00 H new ATOM 0 HH22 ARG B 19 28.705 -4.009 -16.510 1.00 0.00 H new ATOM 951 N GLY B 20 29.282 -8.727 -9.262 1.00 0.00 N ATOM 952 CA GLY B 20 28.084 -9.217 -8.522 1.00 0.00 C ATOM 953 C GLY B 20 28.357 -9.196 -7.016 1.00 0.00 C ATOM 954 O GLY B 20 27.522 -8.795 -6.231 1.00 0.00 O ATOM 0 H GLY B 20 29.714 -9.407 -9.888 1.00 0.00 H new ATOM 0 HA2 GLY B 20 27.222 -8.591 -8.753 1.00 0.00 H new ATOM 0 HA3 GLY B 20 27.837 -10.229 -8.842 1.00 0.00 H new ATOM 958 N GLU B 21 29.517 -9.630 -6.603 1.00 0.00 N ATOM 959 CA GLU B 21 29.836 -9.639 -5.145 1.00 0.00 C ATOM 960 C GLU B 21 29.914 -8.207 -4.606 1.00 0.00 C ATOM 961 O GLU B 21 29.670 -7.957 -3.442 1.00 0.00 O ATOM 962 CB GLU B 21 31.199 -10.325 -5.043 1.00 0.00 C ATOM 963 CG GLU B 21 31.028 -11.709 -4.413 1.00 0.00 C ATOM 964 CD GLU B 21 31.870 -12.728 -5.184 1.00 0.00 C ATOM 965 OE1 GLU B 21 31.442 -13.134 -6.252 1.00 0.00 O ATOM 966 OE2 GLU B 21 32.929 -13.084 -4.693 1.00 0.00 O ATOM 0 H GLU B 21 30.258 -9.979 -7.211 1.00 0.00 H new ATOM 0 HA GLU B 21 29.074 -10.154 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU B 21 31.647 -10.417 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU B 21 31.878 -9.721 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU B 21 31.335 -11.685 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU B 21 29.978 -12.001 -4.431 1.00 0.00 H new ATOM 973 N ILE B 22 30.251 -7.266 -5.443 1.00 0.00 N ATOM 974 CA ILE B 22 30.344 -5.849 -4.980 1.00 0.00 C ATOM 975 C ILE B 22 28.941 -5.292 -4.728 1.00 0.00 C ATOM 976 O ILE B 22 28.628 -4.815 -3.652 1.00 0.00 O ATOM 977 CB ILE B 22 31.024 -5.105 -6.134 1.00 0.00 C ATOM 978 CG1 ILE B 22 32.344 -5.798 -6.503 1.00 0.00 C ATOM 979 CG2 ILE B 22 31.300 -3.656 -5.722 1.00 0.00 C ATOM 980 CD1 ILE B 22 33.203 -6.014 -5.251 1.00 0.00 C ATOM 0 H ILE B 22 30.467 -7.415 -6.429 1.00 0.00 H new ATOM 0 HA ILE B 22 30.899 -5.746 -4.048 1.00 0.00 H new ATOM 0 HB ILE B 22 30.363 -5.115 -7.001 1.00 0.00 H new ATOM 0 HG12 ILE B 22 32.138 -6.756 -6.980 1.00 0.00 H new ATOM 0 HG13 ILE B 22 32.890 -5.193 -7.226 1.00 0.00 H new ATOM 0 HG21 ILE B 22 31.784 -3.130 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE B 22 30.360 -3.162 -5.478 1.00 0.00 H new ATOM 0 HG23 ILE B 22 31.953 -3.644 -4.850 1.00 0.00 H new ATOM 0 HD11 ILE B 22 34.135 -6.506 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE B 22 33.425 -5.051 -4.791 1.00 0.00 H new ATOM 0 HD13 ILE B 22 32.661 -6.639 -4.541 1.00 0.00 H new ATOM 992 N GLU B 23 28.090 -5.357 -5.711 1.00 0.00 N ATOM 993 CA GLU B 23 26.709 -4.848 -5.532 1.00 0.00 C ATOM 994 C GLU B 23 26.018 -5.652 -4.434 1.00 0.00 C ATOM 995 O GLU B 23 25.135 -5.164 -3.753 1.00 0.00 O ATOM 996 CB GLU B 23 26.057 -5.041 -6.905 1.00 0.00 C ATOM 997 CG GLU B 23 24.626 -4.520 -6.884 1.00 0.00 C ATOM 998 CD GLU B 23 23.651 -5.686 -7.053 1.00 0.00 C ATOM 999 OE1 GLU B 23 23.761 -6.385 -8.047 1.00 0.00 O ATOM 1000 OE2 GLU B 23 22.811 -5.861 -6.186 1.00 0.00 O ATOM 0 H GLU B 23 28.294 -5.742 -6.633 1.00 0.00 H new ATOM 0 HA GLU B 23 26.653 -3.805 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU B 23 26.633 -4.515 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU B 23 26.064 -6.097 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU B 23 24.431 -4.003 -5.944 1.00 0.00 H new ATOM 0 HG3 GLU B 23 24.481 -3.793 -7.684 1.00 0.00 H new ATOM 1007 N GLU B 24 26.446 -6.865 -4.218 1.00 0.00 N ATOM 1008 CA GLU B 24 25.845 -7.667 -3.122 1.00 0.00 C ATOM 1009 C GLU B 24 26.273 -7.033 -1.802 1.00 0.00 C ATOM 1010 O GLU B 24 25.526 -6.975 -0.844 1.00 0.00 O ATOM 1011 CB GLU B 24 26.432 -9.071 -3.273 1.00 0.00 C ATOM 1012 CG GLU B 24 25.958 -9.948 -2.113 1.00 0.00 C ATOM 1013 CD GLU B 24 25.981 -11.416 -2.542 1.00 0.00 C ATOM 1014 OE1 GLU B 24 25.377 -11.726 -3.556 1.00 0.00 O ATOM 1015 OE2 GLU B 24 26.601 -12.206 -1.850 1.00 0.00 O ATOM 0 H GLU B 24 27.181 -7.331 -4.750 1.00 0.00 H new ATOM 0 HA GLU B 24 24.756 -7.705 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU B 24 26.122 -9.506 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU B 24 27.521 -9.022 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU B 24 26.601 -9.801 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU B 24 24.950 -9.661 -1.814 1.00 0.00 H new ATOM 1022 N LEU B 25 27.478 -6.532 -1.770 1.00 0.00 N ATOM 1023 CA LEU B 25 27.986 -5.862 -0.542 1.00 0.00 C ATOM 1024 C LEU B 25 27.140 -4.626 -0.255 1.00 0.00 C ATOM 1025 O LEU B 25 26.942 -4.250 0.879 1.00 0.00 O ATOM 1026 CB LEU B 25 29.420 -5.446 -0.871 1.00 0.00 C ATOM 1027 CG LEU B 25 30.100 -4.926 0.397 1.00 0.00 C ATOM 1028 CD1 LEU B 25 30.693 -6.098 1.181 1.00 0.00 C ATOM 1029 CD2 LEU B 25 31.216 -3.951 0.015 1.00 0.00 C ATOM 0 H LEU B 25 28.136 -6.559 -2.549 1.00 0.00 H new ATOM 0 HA LEU B 25 27.943 -6.511 0.333 1.00 0.00 H new ATOM 0 HB2 LEU B 25 29.974 -6.295 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU B 25 29.419 -4.673 -1.640 1.00 0.00 H new ATOM 0 HG LEU B 25 29.364 -4.413 1.016 1.00 0.00 H new ATOM 0 HD11 LEU B 25 31.177 -5.724 2.084 1.00 0.00 H new ATOM 0 HD12 LEU B 25 29.898 -6.791 1.456 1.00 0.00 H new ATOM 0 HD13 LEU B 25 31.427 -6.615 0.563 1.00 0.00 H new ATOM 0 HD21 LEU B 25 31.700 -3.580 0.918 1.00 0.00 H new ATOM 0 HD22 LEU B 25 31.950 -4.464 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU B 25 30.793 -3.113 -0.540 1.00 0.00 H new ATOM 1041 N HIS B 26 26.641 -3.990 -1.281 1.00 0.00 N ATOM 1042 CA HIS B 26 25.801 -2.776 -1.067 1.00 0.00 C ATOM 1043 C HIS B 26 24.452 -3.179 -0.461 1.00 0.00 C ATOM 1044 O HIS B 26 23.921 -2.501 0.396 1.00 0.00 O ATOM 1045 CB HIS B 26 25.618 -2.164 -2.455 1.00 0.00 C ATOM 1046 CG HIS B 26 24.654 -1.011 -2.368 1.00 0.00 C ATOM 1047 ND1 HIS B 26 24.989 0.198 -1.779 1.00 0.00 N ATOM 1048 CD2 HIS B 26 23.357 -0.879 -2.782 1.00 0.00 C ATOM 1049 CE1 HIS B 26 23.908 1.000 -1.859 1.00 0.00 C ATOM 1050 NE2 HIS B 26 22.885 0.389 -2.461 1.00 0.00 N ATOM 0 H HIS B 26 26.778 -4.258 -2.256 1.00 0.00 H new ATOM 0 HA HIS B 26 26.259 -2.066 -0.378 1.00 0.00 H new ATOM 0 HB2 HIS B 26 26.577 -1.822 -2.844 1.00 0.00 H new ATOM 0 HB3 HIS B 26 25.242 -2.915 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS B 26 22.785 -1.645 -3.283 1.00 0.00 H new ATOM 0 HE1 HIS B 26 23.874 2.012 -1.483 1.00 0.00 H new ATOM 0 HE2 HIS B 26 21.957 0.770 -2.646 1.00 0.00 H new ATOM 1058 N LYS B 27 23.896 -4.279 -0.887 1.00 0.00 N ATOM 1059 CA LYS B 27 22.591 -4.710 -0.310 1.00 0.00 C ATOM 1060 C LYS B 27 22.752 -4.916 1.198 1.00 0.00 C ATOM 1061 O LYS B 27 22.002 -4.383 1.997 1.00 0.00 O ATOM 1062 CB LYS B 27 22.261 -6.032 -1.006 1.00 0.00 C ATOM 1063 CG LYS B 27 20.745 -6.239 -1.017 1.00 0.00 C ATOM 1064 CD LYS B 27 20.182 -5.814 -2.376 1.00 0.00 C ATOM 1065 CE LYS B 27 20.683 -6.774 -3.457 1.00 0.00 C ATOM 1066 NZ LYS B 27 19.716 -6.620 -4.581 1.00 0.00 N ATOM 0 H LYS B 27 24.284 -4.893 -1.603 1.00 0.00 H new ATOM 0 HA LYS B 27 21.799 -3.976 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS B 27 22.645 -6.024 -2.026 1.00 0.00 H new ATOM 0 HB3 LYS B 27 22.748 -6.859 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS B 27 20.509 -7.286 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS B 27 20.282 -5.656 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS B 27 19.092 -5.818 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS B 27 20.492 -4.795 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS B 27 21.697 -6.523 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS B 27 20.707 -7.801 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 19.991 -7.247 -5.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 18.761 -6.872 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 19.720 -5.633 -4.910 1.00 0.00 H new ATOM 1080 N LYS B 28 23.739 -5.672 1.596 1.00 0.00 N ATOM 1081 CA LYS B 28 23.957 -5.892 3.051 1.00 0.00 C ATOM 1082 C LYS B 28 24.214 -4.547 3.731 1.00 0.00 C ATOM 1083 O LYS B 28 23.720 -4.280 4.806 1.00 0.00 O ATOM 1084 CB LYS B 28 25.192 -6.790 3.138 1.00 0.00 C ATOM 1085 CG LYS B 28 24.857 -8.171 2.572 1.00 0.00 C ATOM 1086 CD LYS B 28 25.419 -9.252 3.497 1.00 0.00 C ATOM 1087 CE LYS B 28 24.850 -10.614 3.094 1.00 0.00 C ATOM 1088 NZ LYS B 28 25.220 -11.529 4.209 1.00 0.00 N ATOM 0 H LYS B 28 24.400 -6.144 0.979 1.00 0.00 H new ATOM 0 HA LYS B 28 23.099 -6.348 3.544 1.00 0.00 H new ATOM 0 HB2 LYS B 28 26.017 -6.347 2.581 1.00 0.00 H new ATOM 0 HB3 LYS B 28 25.518 -6.879 4.174 1.00 0.00 H new ATOM 0 HG2 LYS B 28 23.777 -8.284 2.477 1.00 0.00 H new ATOM 0 HG3 LYS B 28 25.278 -8.278 1.572 1.00 0.00 H new ATOM 0 HD2 LYS B 28 26.507 -9.268 3.436 1.00 0.00 H new ATOM 0 HD3 LYS B 28 25.161 -9.030 4.532 1.00 0.00 H new ATOM 0 HE2 LYS B 28 23.769 -10.567 2.963 1.00 0.00 H new ATOM 0 HE3 LYS B 28 25.271 -10.954 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 24.864 -12.485 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 26.255 -11.558 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 24.800 -11.184 5.095 1.00 0.00 H new ATOM 1102 N PHE B 29 24.973 -3.692 3.094 1.00 0.00 N ATOM 1103 CA PHE B 29 25.260 -2.348 3.678 1.00 0.00 C ATOM 1104 C PHE B 29 23.947 -1.661 4.038 1.00 0.00 C ATOM 1105 O PHE B 29 23.853 -0.955 5.022 1.00 0.00 O ATOM 1106 CB PHE B 29 26.000 -1.586 2.574 1.00 0.00 C ATOM 1107 CG PHE B 29 27.472 -1.973 2.540 1.00 0.00 C ATOM 1108 CD1 PHE B 29 27.969 -3.051 3.321 1.00 0.00 C ATOM 1109 CD2 PHE B 29 28.355 -1.244 1.714 1.00 0.00 C ATOM 1110 CE1 PHE B 29 29.338 -3.388 3.272 1.00 0.00 C ATOM 1111 CE2 PHE B 29 29.724 -1.583 1.667 1.00 0.00 C ATOM 1112 CZ PHE B 29 30.215 -2.655 2.446 1.00 0.00 C ATOM 0 H PHE B 29 25.409 -3.869 2.189 1.00 0.00 H new ATOM 0 HA PHE B 29 25.854 -2.398 4.590 1.00 0.00 H new ATOM 0 HB2 PHE B 29 25.541 -1.800 1.609 1.00 0.00 H new ATOM 0 HB3 PHE B 29 25.906 -0.513 2.741 1.00 0.00 H new ATOM 0 HD1 PHE B 29 27.298 -3.613 3.953 1.00 0.00 H new ATOM 0 HD2 PHE B 29 27.982 -0.425 1.117 1.00 0.00 H new ATOM 0 HE1 PHE B 29 29.714 -4.207 3.867 1.00 0.00 H new ATOM 0 HE2 PHE B 29 30.397 -1.023 1.035 1.00 0.00 H new ATOM 0 HZ PHE B 29 31.263 -2.913 2.409 1.00 0.00 H new ATOM 1122 N HIS B 30 22.921 -1.885 3.265 1.00 0.00 N ATOM 1123 CA HIS B 30 21.609 -1.271 3.590 1.00 0.00 C ATOM 1124 C HIS B 30 21.091 -1.920 4.868 1.00 0.00 C ATOM 1125 O HIS B 30 20.589 -1.263 5.756 1.00 0.00 O ATOM 1126 CB HIS B 30 20.709 -1.591 2.396 1.00 0.00 C ATOM 1127 CG HIS B 30 19.380 -0.908 2.569 1.00 0.00 C ATOM 1128 ND1 HIS B 30 19.021 0.207 1.828 1.00 0.00 N ATOM 1129 CD2 HIS B 30 18.312 -1.173 3.390 1.00 0.00 C ATOM 1130 CE1 HIS B 30 17.784 0.570 2.215 1.00 0.00 C ATOM 1131 NE2 HIS B 30 17.306 -0.238 3.165 1.00 0.00 N ATOM 0 H HIS B 30 22.936 -2.465 2.426 1.00 0.00 H new ATOM 0 HA HIS B 30 21.655 -0.195 3.756 1.00 0.00 H new ATOM 0 HB2 HIS B 30 21.182 -1.259 1.472 1.00 0.00 H new ATOM 0 HB3 HIS B 30 20.567 -2.669 2.313 1.00 0.00 H new ATOM 0 HD2 HIS B 30 18.260 -1.983 4.102 1.00 0.00 H new ATOM 0 HE1 HIS B 30 17.244 1.412 1.807 1.00 0.00 H new ATOM 0 HE2 HIS B 30 16.398 -0.182 3.627 1.00 0.00 H new ATOM 1139 N GLU B 31 21.252 -3.210 4.980 1.00 0.00 N ATOM 1140 CA GLU B 31 20.818 -3.906 6.223 1.00 0.00 C ATOM 1141 C GLU B 31 21.954 -3.847 7.259 1.00 0.00 C ATOM 1142 O GLU B 31 21.877 -4.441 8.316 1.00 0.00 O ATOM 1143 CB GLU B 31 20.547 -5.350 5.799 1.00 0.00 C ATOM 1144 CG GLU B 31 19.139 -5.454 5.210 1.00 0.00 C ATOM 1145 CD GLU B 31 19.183 -6.293 3.932 1.00 0.00 C ATOM 1146 OE1 GLU B 31 19.500 -7.467 4.028 1.00 0.00 O ATOM 1147 OE2 GLU B 31 18.897 -5.747 2.879 1.00 0.00 O ATOM 0 H GLU B 31 21.664 -3.811 4.266 1.00 0.00 H new ATOM 0 HA GLU B 31 19.937 -3.453 6.676 1.00 0.00 H new ATOM 0 HB2 GLU B 31 21.285 -5.668 5.063 1.00 0.00 H new ATOM 0 HB3 GLU B 31 20.644 -6.016 6.656 1.00 0.00 H new ATOM 0 HG2 GLU B 31 18.463 -5.909 5.934 1.00 0.00 H new ATOM 0 HG3 GLU B 31 18.750 -4.459 4.992 1.00 0.00 H new ATOM 1154 N LEU B 32 23.009 -3.128 6.954 1.00 0.00 N ATOM 1155 CA LEU B 32 24.159 -3.010 7.896 1.00 0.00 C ATOM 1156 C LEU B 32 24.031 -1.721 8.707 1.00 0.00 C ATOM 1157 O LEU B 32 24.412 -1.657 9.858 1.00 0.00 O ATOM 1158 CB LEU B 32 25.390 -2.921 6.982 1.00 0.00 C ATOM 1159 CG LEU B 32 26.654 -3.389 7.712 1.00 0.00 C ATOM 1160 CD1 LEU B 32 27.820 -3.399 6.721 1.00 0.00 C ATOM 1161 CD2 LEU B 32 26.989 -2.432 8.856 1.00 0.00 C ATOM 0 H LEU B 32 23.120 -2.613 6.080 1.00 0.00 H new ATOM 0 HA LEU B 32 24.213 -3.841 8.599 1.00 0.00 H new ATOM 0 HB2 LEU B 32 25.232 -3.532 6.093 1.00 0.00 H new ATOM 0 HB3 LEU B 32 25.522 -1.893 6.643 1.00 0.00 H new ATOM 0 HG LEU B 32 26.485 -4.387 8.117 1.00 0.00 H new ATOM 0 HD11 LEU B 32 28.726 -3.730 7.228 1.00 0.00 H new ATOM 0 HD12 LEU B 32 27.594 -4.080 5.900 1.00 0.00 H new ATOM 0 HD13 LEU B 32 27.972 -2.394 6.327 1.00 0.00 H new ATOM 0 HD21 LEU B 32 27.889 -2.776 9.366 1.00 0.00 H new ATOM 0 HD22 LEU B 32 27.158 -1.432 8.456 1.00 0.00 H new ATOM 0 HD23 LEU B 32 26.159 -2.405 9.562 1.00 0.00 H new ATOM 1173 N ILE B 33 23.522 -0.681 8.101 1.00 0.00 N ATOM 1174 CA ILE B 33 23.408 0.615 8.830 1.00 0.00 C ATOM 1175 C ILE B 33 21.946 1.079 8.893 1.00 0.00 C ATOM 1176 O ILE B 33 21.591 1.934 9.680 1.00 0.00 O ATOM 1177 CB ILE B 33 24.265 1.593 8.014 1.00 0.00 C ATOM 1178 CG1 ILE B 33 23.605 1.839 6.652 1.00 0.00 C ATOM 1179 CG2 ILE B 33 25.666 0.994 7.814 1.00 0.00 C ATOM 1180 CD1 ILE B 33 24.425 2.847 5.850 1.00 0.00 C ATOM 0 H ILE B 33 23.182 -0.673 7.139 1.00 0.00 H new ATOM 0 HA ILE B 33 23.744 0.541 9.864 1.00 0.00 H new ATOM 0 HB ILE B 33 24.349 2.540 8.546 1.00 0.00 H new ATOM 0 HG12 ILE B 33 23.527 0.901 6.102 1.00 0.00 H new ATOM 0 HG13 ILE B 33 22.590 2.212 6.792 1.00 0.00 H new ATOM 0 HG21 ILE B 33 26.278 1.685 7.235 1.00 0.00 H new ATOM 0 HG22 ILE B 33 26.131 0.824 8.785 1.00 0.00 H new ATOM 0 HG23 ILE B 33 25.584 0.047 7.280 1.00 0.00 H new ATOM 0 HD11 ILE B 33 23.950 3.016 4.884 1.00 0.00 H new ATOM 0 HD12 ILE B 33 24.481 3.788 6.397 1.00 0.00 H new ATOM 0 HD13 ILE B 33 25.431 2.457 5.696 1.00 0.00 H new ATOM 1192 N LYS B 34 21.099 0.523 8.070 1.00 0.00 N ATOM 1193 CA LYS B 34 19.665 0.934 8.083 1.00 0.00 C ATOM 1194 C LYS B 34 19.548 2.457 7.964 1.00 0.00 C ATOM 1195 O LYS B 34 19.517 3.166 8.951 1.00 0.00 O ATOM 1196 CB LYS B 34 19.128 0.458 9.433 1.00 0.00 C ATOM 1197 CG LYS B 34 17.864 -0.377 9.214 1.00 0.00 C ATOM 1198 CD LYS B 34 16.664 0.553 9.030 1.00 0.00 C ATOM 1199 CE LYS B 34 15.372 -0.221 9.304 1.00 0.00 C ATOM 1200 NZ LYS B 34 14.898 0.285 10.623 1.00 0.00 N ATOM 0 H LYS B 34 21.337 -0.198 7.389 1.00 0.00 H new ATOM 0 HA LYS B 34 19.107 0.508 7.249 1.00 0.00 H new ATOM 0 HB2 LYS B 34 19.884 -0.135 9.948 1.00 0.00 H new ATOM 0 HB3 LYS B 34 18.905 1.314 10.070 1.00 0.00 H new ATOM 0 HG2 LYS B 34 17.983 -1.013 8.337 1.00 0.00 H new ATOM 0 HG3 LYS B 34 17.699 -1.037 10.066 1.00 0.00 H new ATOM 0 HD2 LYS B 34 16.742 1.403 9.708 1.00 0.00 H new ATOM 0 HD3 LYS B 34 16.653 0.953 8.016 1.00 0.00 H new ATOM 0 HE2 LYS B 34 14.632 -0.045 8.523 1.00 0.00 H new ATOM 0 HE3 LYS B 34 15.553 -1.295 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 14.014 -0.198 10.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 15.621 0.097 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 14.728 1.309 10.561 1.00 0.00 H new ATOM 1214 N GLY B 35 19.486 2.964 6.764 1.00 0.00 N ATOM 1215 CA GLY B 35 19.374 4.439 6.584 1.00 0.00 C ATOM 1216 C GLY B 35 20.767 5.031 6.360 1.00 0.00 C ATOM 1217 O GLY B 35 21.472 5.220 7.338 1.00 0.00 O ATOM 1218 OXT GLY B 35 21.105 5.284 5.216 1.00 0.00 O ATOM 0 H GLY B 35 19.508 2.421 5.901 1.00 0.00 H new ATOM 0 HA2 GLY B 35 18.730 4.665 5.734 1.00 0.00 H new ATOM 0 HA3 GLY B 35 18.912 4.890 7.463 1.00 0.00 H new TER 1222 GLY B 35