USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 805 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 85 THR OG1 : rot 180:sc= -0.0456 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.00164 USER MOD Set 2.1: A 37 CYS SG : rot 27:sc= -0.579 USER MOD Set 2.2: A 51 HIS : no HD1:sc= -3.17 K(o=-3.7,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0759 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -140:sc= -0.734 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 141:sc= -4.33 (180deg=-6.58!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 35:sc= 0.13 USER MOD Single : A 17 SER OG : rot 74:sc= -0.717 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -148:sc= -4.11! (180deg=-4.17!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= -3.57 (180deg=-3.57) USER MOD Single : A 25 MET CE :methyl -164:sc= -0.0995 (180deg=-0.626) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.0837 (180deg=-0.45) USER MOD Single : A 35 ASN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.85) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.35! X(o=-2.4!,f=-2.1) USER MOD Single : A 49 CYS SG : rot 70:sc= -2.44 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -2.31 F(o=-4.9!,f=-2.3) USER MOD Single : A 61 GLN :FLIP amide:sc= -4.25! C(o=-5.3!,f=-4.2!) USER MOD Single : A 64 MET CE :methyl -172:sc= -3.15! (180deg=-3.29!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0135 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.7!) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 0.211 (180deg=0.0286) USER MOD Single : A 83 SER OG : rot -110:sc= 0.282 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -1.03 F(o=-3.2!,f=-1) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00407) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.581 -0.075 -27.608 1.00 0.00 N ATOM 2 CA GLY A 1 -5.669 -1.102 -26.586 1.00 0.00 C ATOM 3 C GLY A 1 -4.433 -1.155 -25.710 1.00 0.00 C ATOM 4 O GLY A 1 -3.606 -0.244 -25.736 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.413 0.547 -27.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.718 0.486 -27.463 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.550 -0.521 -28.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.544 -0.917 -25.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.816 -2.072 -27.061 1.00 0.00 H new ATOM 8 N SER A 2 -4.306 -2.225 -24.931 1.00 0.00 N ATOM 9 CA SER A 2 -3.165 -2.390 -24.039 1.00 0.00 C ATOM 10 C SER A 2 -1.896 -2.694 -24.831 1.00 0.00 C ATOM 11 O SER A 2 -1.488 -3.849 -24.951 1.00 0.00 O ATOM 12 CB SER A 2 -3.434 -3.513 -23.035 1.00 0.00 C ATOM 13 OG SER A 2 -2.690 -3.321 -21.844 1.00 0.00 O ATOM 0 H SER A 2 -4.980 -2.990 -24.900 1.00 0.00 H new ATOM 0 HA SER A 2 -3.020 -1.455 -23.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.498 -3.549 -22.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.173 -4.473 -23.480 1.00 0.00 H new ATOM 0 HG SER A 2 -2.880 -4.051 -21.218 1.00 0.00 H new ATOM 19 N SER A 3 -1.278 -1.648 -25.369 1.00 0.00 N ATOM 20 CA SER A 3 -0.058 -1.802 -26.153 1.00 0.00 C ATOM 21 C SER A 3 1.158 -1.322 -25.365 1.00 0.00 C ATOM 22 O SER A 3 1.158 -0.224 -24.810 1.00 0.00 O ATOM 23 CB SER A 3 -0.168 -1.024 -27.466 1.00 0.00 C ATOM 24 OG SER A 3 -1.198 -1.549 -28.285 1.00 0.00 O ATOM 0 H SER A 3 -1.602 -0.685 -25.277 1.00 0.00 H new ATOM 0 HA SER A 3 0.070 -2.861 -26.376 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.367 0.026 -27.254 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.782 -1.067 -27.999 1.00 0.00 H new ATOM 0 HG SER A 3 -1.249 -1.034 -29.117 1.00 0.00 H new ATOM 30 N GLY A 4 2.193 -2.156 -25.321 1.00 0.00 N ATOM 31 CA GLY A 4 3.401 -1.801 -24.600 1.00 0.00 C ATOM 32 C GLY A 4 3.386 -2.293 -23.166 1.00 0.00 C ATOM 33 O GLY A 4 3.698 -3.453 -22.898 1.00 0.00 O ATOM 0 H GLY A 4 2.216 -3.071 -25.772 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.265 -2.220 -25.116 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.520 -0.718 -24.608 1.00 0.00 H new ATOM 37 N SER A 5 3.024 -1.409 -22.242 1.00 0.00 N ATOM 38 CA SER A 5 2.975 -1.759 -20.827 1.00 0.00 C ATOM 39 C SER A 5 1.596 -2.290 -20.447 1.00 0.00 C ATOM 40 O SER A 5 0.658 -2.242 -21.243 1.00 0.00 O ATOM 41 CB SER A 5 3.319 -0.541 -19.967 1.00 0.00 C ATOM 42 OG SER A 5 2.230 0.363 -19.903 1.00 0.00 O ATOM 0 H SER A 5 2.760 -0.445 -22.448 1.00 0.00 H new ATOM 0 HA SER A 5 3.710 -2.543 -20.646 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.585 -0.866 -18.961 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.192 -0.035 -20.380 1.00 0.00 H new ATOM 0 HG SER A 5 2.565 1.283 -19.953 1.00 0.00 H new ATOM 48 N SER A 6 1.482 -2.798 -19.224 1.00 0.00 N ATOM 49 CA SER A 6 0.220 -3.343 -18.737 1.00 0.00 C ATOM 50 C SER A 6 -0.248 -2.600 -17.489 1.00 0.00 C ATOM 51 O SER A 6 -1.378 -2.119 -17.426 1.00 0.00 O ATOM 52 CB SER A 6 0.368 -4.835 -18.431 1.00 0.00 C ATOM 53 OG SER A 6 0.576 -5.581 -19.618 1.00 0.00 O ATOM 0 H SER A 6 2.248 -2.844 -18.552 1.00 0.00 H new ATOM 0 HA SER A 6 -0.529 -3.212 -19.518 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.205 -4.988 -17.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.526 -5.196 -17.923 1.00 0.00 H new ATOM 0 HG SER A 6 0.669 -6.531 -19.395 1.00 0.00 H new ATOM 59 N GLY A 7 0.632 -2.512 -16.496 1.00 0.00 N ATOM 60 CA GLY A 7 0.293 -1.827 -15.263 1.00 0.00 C ATOM 61 C GLY A 7 1.145 -0.596 -15.030 1.00 0.00 C ATOM 62 O GLY A 7 1.691 -0.407 -13.943 1.00 0.00 O ATOM 0 H GLY A 7 1.574 -2.903 -16.524 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.758 -1.538 -15.289 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.415 -2.513 -14.425 1.00 0.00 H new ATOM 66 N ARG A 8 1.260 0.244 -16.053 1.00 0.00 N ATOM 67 CA ARG A 8 2.055 1.463 -15.955 1.00 0.00 C ATOM 68 C ARG A 8 1.212 2.690 -16.290 1.00 0.00 C ATOM 69 O ARG A 8 0.612 2.770 -17.362 1.00 0.00 O ATOM 70 CB ARG A 8 3.261 1.387 -16.894 1.00 0.00 C ATOM 71 CG ARG A 8 4.444 0.637 -16.305 1.00 0.00 C ATOM 72 CD ARG A 8 5.750 1.048 -16.968 1.00 0.00 C ATOM 73 NE ARG A 8 6.746 -0.018 -16.922 1.00 0.00 N ATOM 74 CZ ARG A 8 7.975 0.102 -17.414 1.00 0.00 C ATOM 75 NH1 ARG A 8 8.356 1.237 -17.984 1.00 0.00 N ATOM 76 NH2 ARG A 8 8.825 -0.913 -17.334 1.00 0.00 N ATOM 0 H ARG A 8 0.813 0.103 -16.959 1.00 0.00 H new ATOM 0 HA ARG A 8 2.408 1.556 -14.928 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.959 0.901 -17.822 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.575 2.399 -17.152 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.502 0.830 -15.234 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.294 -0.436 -16.428 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.559 1.321 -18.006 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.145 1.935 -16.472 1.00 0.00 H new ATOM 0 HE ARG A 8 6.485 -0.904 -16.489 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.706 2.020 -18.046 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.300 1.327 -18.361 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.536 -1.787 -16.895 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.768 -0.820 -17.712 1.00 0.00 H new ATOM 90 N PHE A 9 1.171 3.644 -15.366 1.00 0.00 N ATOM 91 CA PHE A 9 0.400 4.866 -15.562 1.00 0.00 C ATOM 92 C PHE A 9 1.316 6.087 -15.594 1.00 0.00 C ATOM 93 O PHE A 9 1.095 7.062 -14.876 1.00 0.00 O ATOM 94 CB PHE A 9 -0.639 5.023 -14.450 1.00 0.00 C ATOM 95 CG PHE A 9 -1.940 4.332 -14.744 1.00 0.00 C ATOM 96 CD1 PHE A 9 -1.979 2.964 -14.963 1.00 0.00 C ATOM 97 CD2 PHE A 9 -3.124 5.049 -14.799 1.00 0.00 C ATOM 98 CE1 PHE A 9 -3.174 2.326 -15.234 1.00 0.00 C ATOM 99 CE2 PHE A 9 -4.322 4.417 -15.070 1.00 0.00 C ATOM 100 CZ PHE A 9 -4.348 3.053 -15.286 1.00 0.00 C ATOM 0 H PHE A 9 1.663 3.594 -14.474 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.113 4.793 -16.521 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.228 4.627 -13.521 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.829 6.084 -14.288 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.065 2.390 -14.921 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.110 6.115 -14.628 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.191 1.260 -15.405 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.237 4.989 -15.113 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.284 2.556 -15.495 1.00 0.00 H new ATOM 110 N THR A 10 2.346 6.025 -16.432 1.00 0.00 N ATOM 111 CA THR A 10 3.296 7.122 -16.558 1.00 0.00 C ATOM 112 C THR A 10 3.563 7.776 -15.207 1.00 0.00 C ATOM 113 O THR A 10 3.670 8.998 -15.109 1.00 0.00 O ATOM 114 CB THR A 10 2.791 8.193 -17.543 1.00 0.00 C ATOM 115 OG1 THR A 10 1.359 8.228 -17.536 1.00 0.00 O ATOM 116 CG2 THR A 10 3.289 7.911 -18.952 1.00 0.00 C ATOM 0 H THR A 10 2.543 5.225 -17.034 1.00 0.00 H new ATOM 0 HA THR A 10 4.223 6.695 -16.941 1.00 0.00 H new ATOM 0 HB THR A 10 3.180 9.160 -17.224 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.045 8.912 -18.163 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.919 8.681 -19.629 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.379 7.914 -18.960 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.926 6.936 -19.278 1.00 0.00 H new ATOM 124 N TRP A 11 3.668 6.955 -14.169 1.00 0.00 N ATOM 125 CA TRP A 11 3.923 7.455 -12.822 1.00 0.00 C ATOM 126 C TRP A 11 5.118 8.402 -12.810 1.00 0.00 C ATOM 127 O TRP A 11 6.057 8.242 -13.589 1.00 0.00 O ATOM 128 CB TRP A 11 4.171 6.290 -11.862 1.00 0.00 C ATOM 129 CG TRP A 11 2.915 5.586 -11.446 1.00 0.00 C ATOM 130 CD1 TRP A 11 1.676 6.140 -11.297 1.00 0.00 C ATOM 131 CD2 TRP A 11 2.778 4.198 -11.124 1.00 0.00 C ATOM 132 NE1 TRP A 11 0.776 5.180 -10.901 1.00 0.00 N ATOM 133 CE2 TRP A 11 1.427 3.980 -10.789 1.00 0.00 C ATOM 134 CE3 TRP A 11 3.663 3.117 -11.087 1.00 0.00 C ATOM 135 CZ2 TRP A 11 0.944 2.726 -10.422 1.00 0.00 C ATOM 136 CZ3 TRP A 11 3.183 1.874 -10.723 1.00 0.00 C ATOM 137 CH2 TRP A 11 1.834 1.687 -10.395 1.00 0.00 C ATOM 0 H TRP A 11 3.581 5.941 -14.233 1.00 0.00 H new ATOM 0 HA TRP A 11 3.042 8.007 -12.493 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.841 5.573 -12.337 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.681 6.663 -10.974 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.438 7.180 -11.466 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -0.216 5.336 -10.720 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.705 3.251 -11.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.095 2.579 -10.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.859 1.032 -10.691 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.489 0.703 -10.115 1.00 0.00 H new ATOM 148 N SER A 12 5.075 9.390 -11.922 1.00 0.00 N ATOM 149 CA SER A 12 6.153 10.366 -11.812 1.00 0.00 C ATOM 150 C SER A 12 6.478 10.654 -10.349 1.00 0.00 C ATOM 151 O SER A 12 5.580 10.826 -9.525 1.00 0.00 O ATOM 152 CB SER A 12 5.770 11.664 -12.526 1.00 0.00 C ATOM 153 OG SER A 12 6.922 12.383 -12.930 1.00 0.00 O ATOM 0 H SER A 12 4.306 9.536 -11.268 1.00 0.00 H new ATOM 0 HA SER A 12 7.039 9.946 -12.288 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.156 11.436 -13.397 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.165 12.283 -11.863 1.00 0.00 H new ATOM 0 HG SER A 12 6.650 13.207 -13.385 1.00 0.00 H new ATOM 159 N MET A 13 7.768 10.705 -10.035 1.00 0.00 N ATOM 160 CA MET A 13 8.212 10.973 -8.672 1.00 0.00 C ATOM 161 C MET A 13 9.725 11.164 -8.621 1.00 0.00 C ATOM 162 O MET A 13 10.444 10.752 -9.532 1.00 0.00 O ATOM 163 CB MET A 13 7.799 9.830 -7.744 1.00 0.00 C ATOM 164 CG MET A 13 8.367 8.480 -8.152 1.00 0.00 C ATOM 165 SD MET A 13 9.973 8.147 -7.404 1.00 0.00 S ATOM 166 CE MET A 13 9.476 7.375 -5.866 1.00 0.00 C ATOM 0 H MET A 13 8.524 10.564 -10.705 1.00 0.00 H new ATOM 0 HA MET A 13 7.736 11.894 -8.336 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.125 10.061 -6.730 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.711 9.766 -7.722 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.668 7.695 -7.866 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.461 8.443 -9.237 1.00 0.00 H new ATOM 0 HE1 MET A 13 10.155 6.555 -5.635 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.508 8.111 -5.062 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.461 6.989 -5.964 1.00 0.00 H new ATOM 176 N LYS A 14 10.202 11.790 -7.551 1.00 0.00 N ATOM 177 CA LYS A 14 11.629 12.035 -7.380 1.00 0.00 C ATOM 178 C LYS A 14 12.080 11.663 -5.971 1.00 0.00 C ATOM 179 O LYS A 14 12.897 12.358 -5.365 1.00 0.00 O ATOM 180 CB LYS A 14 11.953 13.504 -7.659 1.00 0.00 C ATOM 181 CG LYS A 14 12.084 13.828 -9.137 1.00 0.00 C ATOM 182 CD LYS A 14 13.500 13.592 -9.636 1.00 0.00 C ATOM 183 CE LYS A 14 13.524 13.306 -11.130 1.00 0.00 C ATOM 184 NZ LYS A 14 14.903 13.028 -11.619 1.00 0.00 N ATOM 0 H LYS A 14 9.621 12.137 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 14 12.167 11.409 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.171 14.128 -7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.884 13.764 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.389 13.213 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.805 14.868 -9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.113 14.468 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.942 12.754 -9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.883 12.452 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.112 14.159 -11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.877 12.838 -12.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.509 13.853 -11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.287 12.199 -11.122 1.00 0.00 H new ATOM 198 N THR A 15 11.543 10.562 -5.453 1.00 0.00 N ATOM 199 CA THR A 15 11.890 10.098 -4.116 1.00 0.00 C ATOM 200 C THR A 15 12.474 8.691 -4.157 1.00 0.00 C ATOM 201 O THR A 15 11.756 7.716 -4.382 1.00 0.00 O ATOM 202 CB THR A 15 10.665 10.107 -3.183 1.00 0.00 C ATOM 203 OG1 THR A 15 10.114 11.427 -3.110 1.00 0.00 O ATOM 204 CG2 THR A 15 11.044 9.633 -1.788 1.00 0.00 C ATOM 0 H THR A 15 10.866 9.975 -5.940 1.00 0.00 H new ATOM 0 HA THR A 15 12.639 10.788 -3.726 1.00 0.00 H new ATOM 0 HB THR A 15 9.920 9.425 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.334 11.424 -2.516 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.163 9.648 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.436 8.617 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.805 10.294 -1.374 1.00 0.00 H new ATOM 212 N THR A 16 13.781 8.590 -3.936 1.00 0.00 N ATOM 213 CA THR A 16 14.461 7.301 -3.948 1.00 0.00 C ATOM 214 C THR A 16 15.409 7.169 -2.761 1.00 0.00 C ATOM 215 O THR A 16 16.217 8.059 -2.498 1.00 0.00 O ATOM 216 CB THR A 16 15.256 7.097 -5.251 1.00 0.00 C ATOM 217 OG1 THR A 16 16.124 8.214 -5.475 1.00 0.00 O ATOM 218 CG2 THR A 16 14.318 6.931 -6.437 1.00 0.00 C ATOM 0 H THR A 16 14.390 9.386 -3.746 1.00 0.00 H new ATOM 0 HA THR A 16 13.688 6.535 -3.880 1.00 0.00 H new ATOM 0 HB THR A 16 15.851 6.190 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.451 8.552 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.902 6.788 -7.346 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.679 6.063 -6.277 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.700 7.823 -6.539 1.00 0.00 H new ATOM 226 N SER A 17 15.306 6.052 -2.049 1.00 0.00 N ATOM 227 CA SER A 17 16.152 5.804 -0.888 1.00 0.00 C ATOM 228 C SER A 17 17.271 4.825 -1.230 1.00 0.00 C ATOM 229 O SER A 17 17.202 4.112 -2.231 1.00 0.00 O ATOM 230 CB SER A 17 15.318 5.257 0.272 1.00 0.00 C ATOM 231 OG SER A 17 15.933 5.534 1.518 1.00 0.00 O ATOM 0 H SER A 17 14.644 5.304 -2.256 1.00 0.00 H new ATOM 0 HA SER A 17 16.600 6.751 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.322 5.700 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.191 4.181 0.157 1.00 0.00 H new ATOM 0 HG SER A 17 15.829 6.485 1.730 1.00 0.00 H new ATOM 237 N SER A 18 18.302 4.798 -0.391 1.00 0.00 N ATOM 238 CA SER A 18 19.439 3.910 -0.606 1.00 0.00 C ATOM 239 C SER A 18 19.487 2.821 0.462 1.00 0.00 C ATOM 240 O SER A 18 20.538 2.554 1.043 1.00 0.00 O ATOM 241 CB SER A 18 20.745 4.707 -0.598 1.00 0.00 C ATOM 242 OG SER A 18 20.837 5.523 0.557 1.00 0.00 O ATOM 0 H SER A 18 18.373 5.380 0.443 1.00 0.00 H new ATOM 0 HA SER A 18 19.318 3.435 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 18 21.593 4.023 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.801 5.329 -1.492 1.00 0.00 H new ATOM 0 HG SER A 18 21.681 6.021 0.539 1.00 0.00 H new ATOM 248 N MET A 19 18.341 2.198 0.715 1.00 0.00 N ATOM 249 CA MET A 19 18.252 1.137 1.712 1.00 0.00 C ATOM 250 C MET A 19 17.370 -0.003 1.215 1.00 0.00 C ATOM 251 O MET A 19 16.722 0.109 0.175 1.00 0.00 O ATOM 252 CB MET A 19 17.700 1.690 3.027 1.00 0.00 C ATOM 253 CG MET A 19 16.367 2.405 2.873 1.00 0.00 C ATOM 254 SD MET A 19 15.603 2.798 4.458 1.00 0.00 S ATOM 255 CE MET A 19 13.875 2.516 4.081 1.00 0.00 C ATOM 0 H MET A 19 17.461 2.409 0.244 1.00 0.00 H new ATOM 0 HA MET A 19 19.255 0.747 1.883 1.00 0.00 H new ATOM 0 HB2 MET A 19 17.584 0.870 3.736 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.426 2.381 3.455 1.00 0.00 H new ATOM 0 HG2 MET A 19 16.516 3.325 2.308 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.689 1.780 2.292 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.259 3.199 4.666 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.701 2.690 3.019 1.00 0.00 H new ATOM 0 HE3 MET A 19 13.612 1.487 4.328 1.00 0.00 H new ATOM 265 N ASP A 20 17.351 -1.100 1.965 1.00 0.00 N ATOM 266 CA ASP A 20 16.548 -2.261 1.601 1.00 0.00 C ATOM 267 C ASP A 20 15.067 -1.898 1.534 1.00 0.00 C ATOM 268 O ASP A 20 14.605 -0.954 2.174 1.00 0.00 O ATOM 269 CB ASP A 20 16.763 -3.393 2.607 1.00 0.00 C ATOM 270 CG ASP A 20 17.941 -4.275 2.242 1.00 0.00 C ATOM 271 OD1 ASP A 20 17.921 -4.866 1.141 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.882 -4.375 3.056 1.00 0.00 O ATOM 0 H ASP A 20 17.883 -1.209 2.829 1.00 0.00 H new ATOM 0 HA ASP A 20 16.867 -2.597 0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.924 -2.969 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.861 -4.002 2.663 1.00 0.00 H new ATOM 277 N PRO A 21 14.305 -2.665 0.741 1.00 0.00 N ATOM 278 CA PRO A 21 12.866 -2.444 0.571 1.00 0.00 C ATOM 279 C PRO A 21 12.074 -2.787 1.828 1.00 0.00 C ATOM 280 O PRO A 21 11.201 -2.029 2.249 1.00 0.00 O ATOM 281 CB PRO A 21 12.493 -3.392 -0.572 1.00 0.00 C ATOM 282 CG PRO A 21 13.522 -4.468 -0.521 1.00 0.00 C ATOM 283 CD PRO A 21 14.789 -3.808 -0.052 1.00 0.00 C ATOM 0 HA PRO A 21 12.636 -1.398 0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.490 -3.797 -0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.505 -2.878 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.221 -5.264 0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.659 -4.923 -1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.396 -4.485 0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.407 -3.483 -0.889 1.00 0.00 H new ATOM 291 N SER A 22 12.385 -3.934 2.423 1.00 0.00 N ATOM 292 CA SER A 22 11.700 -4.379 3.631 1.00 0.00 C ATOM 293 C SER A 22 11.556 -3.233 4.627 1.00 0.00 C ATOM 294 O SER A 22 10.554 -3.135 5.336 1.00 0.00 O ATOM 295 CB SER A 22 12.462 -5.539 4.276 1.00 0.00 C ATOM 296 OG SER A 22 12.084 -6.778 3.704 1.00 0.00 O ATOM 0 H SER A 22 13.107 -4.572 2.088 1.00 0.00 H new ATOM 0 HA SER A 22 10.703 -4.720 3.350 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.534 -5.389 4.150 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.266 -5.555 5.348 1.00 0.00 H new ATOM 0 HG SER A 22 12.586 -7.503 4.132 1.00 0.00 H new ATOM 302 N ASP A 23 12.563 -2.369 4.675 1.00 0.00 N ATOM 303 CA ASP A 23 12.550 -1.228 5.583 1.00 0.00 C ATOM 304 C ASP A 23 11.567 -0.164 5.104 1.00 0.00 C ATOM 305 O ASP A 23 10.827 0.415 5.899 1.00 0.00 O ATOM 306 CB ASP A 23 13.951 -0.628 5.704 1.00 0.00 C ATOM 307 CG ASP A 23 14.100 0.255 6.927 1.00 0.00 C ATOM 308 OD1 ASP A 23 13.319 1.220 7.061 1.00 0.00 O ATOM 309 OD2 ASP A 23 14.998 -0.018 7.751 1.00 0.00 O ATOM 0 H ASP A 23 13.400 -2.437 4.095 1.00 0.00 H new ATOM 0 HA ASP A 23 12.229 -1.579 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.685 -1.433 5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.172 -0.045 4.810 1.00 0.00 H new ATOM 314 N MET A 24 11.567 0.090 3.799 1.00 0.00 N ATOM 315 CA MET A 24 10.675 1.085 3.215 1.00 0.00 C ATOM 316 C MET A 24 9.259 0.932 3.760 1.00 0.00 C ATOM 317 O MET A 24 8.676 1.886 4.274 1.00 0.00 O ATOM 318 CB MET A 24 10.664 0.958 1.690 1.00 0.00 C ATOM 319 CG MET A 24 11.996 1.301 1.042 1.00 0.00 C ATOM 320 SD MET A 24 12.151 3.056 0.662 1.00 0.00 S ATOM 321 CE MET A 24 11.211 3.158 -0.859 1.00 0.00 C ATOM 0 H MET A 24 12.174 -0.379 3.127 1.00 0.00 H new ATOM 0 HA MET A 24 11.045 2.073 3.488 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.390 -0.062 1.421 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.893 1.613 1.285 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.807 1.004 1.708 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.109 0.723 0.125 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.214 4.186 -1.220 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.662 2.508 -1.609 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.184 2.841 -0.674 1.00 0.00 H new ATOM 331 N MET A 25 8.711 -0.273 3.643 1.00 0.00 N ATOM 332 CA MET A 25 7.363 -0.549 4.125 1.00 0.00 C ATOM 333 C MET A 25 7.143 0.063 5.505 1.00 0.00 C ATOM 334 O MET A 25 6.156 0.761 5.734 1.00 0.00 O ATOM 335 CB MET A 25 7.117 -2.058 4.179 1.00 0.00 C ATOM 336 CG MET A 25 7.050 -2.712 2.808 1.00 0.00 C ATOM 337 SD MET A 25 5.571 -2.248 1.889 1.00 0.00 S ATOM 338 CE MET A 25 4.400 -3.460 2.495 1.00 0.00 C ATOM 0 H MET A 25 9.180 -1.074 3.219 1.00 0.00 H new ATOM 0 HA MET A 25 6.656 -0.097 3.430 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.913 -2.527 4.758 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.183 -2.247 4.709 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.933 -2.433 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.075 -3.795 2.925 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.536 -3.494 1.832 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.874 -4.441 2.524 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.076 -3.183 3.498 1.00 0.00 H new ATOM 348 N ARG A 26 8.069 -0.204 6.421 1.00 0.00 N ATOM 349 CA ARG A 26 7.974 0.320 7.778 1.00 0.00 C ATOM 350 C ARG A 26 7.654 1.811 7.764 1.00 0.00 C ATOM 351 O ARG A 26 6.705 2.258 8.407 1.00 0.00 O ATOM 352 CB ARG A 26 9.282 0.075 8.534 1.00 0.00 C ATOM 353 CG ARG A 26 9.152 0.229 10.040 1.00 0.00 C ATOM 354 CD ARG A 26 10.360 -0.344 10.765 1.00 0.00 C ATOM 355 NE ARG A 26 10.287 -0.127 12.207 1.00 0.00 N ATOM 356 CZ ARG A 26 10.592 1.025 12.794 1.00 0.00 C ATOM 357 NH1 ARG A 26 10.988 2.059 12.065 1.00 0.00 N ATOM 358 NH2 ARG A 26 10.500 1.145 14.112 1.00 0.00 N ATOM 0 H ARG A 26 8.893 -0.780 6.248 1.00 0.00 H new ATOM 0 HA ARG A 26 7.164 -0.203 8.287 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.639 -0.930 8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.038 0.771 8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.042 1.284 10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.248 -0.275 10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.431 -1.413 10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.268 0.115 10.375 1.00 0.00 H new ATOM 0 HE ARG A 26 9.985 -0.903 12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.059 1.971 11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.222 2.943 12.518 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.195 0.352 14.676 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.735 2.030 14.561 1.00 0.00 H new ATOM 372 N GLU A 27 8.453 2.576 7.027 1.00 0.00 N ATOM 373 CA GLU A 27 8.255 4.018 6.931 1.00 0.00 C ATOM 374 C GLU A 27 6.866 4.341 6.389 1.00 0.00 C ATOM 375 O GLU A 27 6.061 4.988 7.061 1.00 0.00 O ATOM 376 CB GLU A 27 9.323 4.643 6.032 1.00 0.00 C ATOM 377 CG GLU A 27 9.322 6.163 6.051 1.00 0.00 C ATOM 378 CD GLU A 27 9.756 6.729 7.388 1.00 0.00 C ATOM 379 OE1 GLU A 27 10.410 5.995 8.159 1.00 0.00 O ATOM 380 OE2 GLU A 27 9.443 7.906 7.665 1.00 0.00 O ATOM 0 H GLU A 27 9.243 2.222 6.488 1.00 0.00 H new ATOM 0 HA GLU A 27 8.342 4.439 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.304 4.285 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.170 4.301 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.987 6.533 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.321 6.525 5.815 1.00 0.00 H new ATOM 387 N ILE A 28 6.591 3.887 5.171 1.00 0.00 N ATOM 388 CA ILE A 28 5.300 4.127 4.539 1.00 0.00 C ATOM 389 C ILE A 28 4.171 4.085 5.564 1.00 0.00 C ATOM 390 O ILE A 28 3.453 5.067 5.751 1.00 0.00 O ATOM 391 CB ILE A 28 5.013 3.093 3.434 1.00 0.00 C ATOM 392 CG1 ILE A 28 5.848 3.401 2.189 1.00 0.00 C ATOM 393 CG2 ILE A 28 3.531 3.079 3.094 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.207 2.172 1.383 1.00 0.00 C ATOM 0 H ILE A 28 7.246 3.350 4.602 1.00 0.00 H new ATOM 0 HA ILE A 28 5.347 5.120 4.092 1.00 0.00 H new ATOM 0 HB ILE A 28 5.291 2.105 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.296 4.094 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.764 3.907 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.344 2.343 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.956 2.818 3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.229 4.066 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.799 2.466 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.786 1.487 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.295 1.677 1.049 1.00 0.00 H new ATOM 406 N ARG A 29 4.021 2.942 6.225 1.00 0.00 N ATOM 407 CA ARG A 29 2.980 2.773 7.231 1.00 0.00 C ATOM 408 C ARG A 29 3.120 3.813 8.339 1.00 0.00 C ATOM 409 O ARG A 29 2.157 4.495 8.690 1.00 0.00 O ATOM 410 CB ARG A 29 3.041 1.365 7.828 1.00 0.00 C ATOM 411 CG ARG A 29 2.748 0.264 6.822 1.00 0.00 C ATOM 412 CD ARG A 29 2.841 -1.113 7.460 1.00 0.00 C ATOM 413 NE ARG A 29 4.226 -1.530 7.663 1.00 0.00 N ATOM 414 CZ ARG A 29 4.590 -2.788 7.881 1.00 0.00 C ATOM 415 NH1 ARG A 29 3.677 -3.748 7.923 1.00 0.00 N ATOM 416 NH2 ARG A 29 5.871 -3.089 8.057 1.00 0.00 N ATOM 0 H ARG A 29 4.607 2.120 6.082 1.00 0.00 H new ATOM 0 HA ARG A 29 2.014 2.913 6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.031 1.203 8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.326 1.296 8.648 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.751 0.406 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.452 0.330 5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.321 -1.105 8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.332 -1.841 6.828 1.00 0.00 H new ATOM 0 HE ARG A 29 4.953 -0.816 7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.692 -3.521 7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.960 -4.714 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.577 -2.353 8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.149 -4.056 8.224 1.00 0.00 H new ATOM 430 N LYS A 30 4.325 3.928 8.886 1.00 0.00 N ATOM 431 CA LYS A 30 4.593 4.885 9.954 1.00 0.00 C ATOM 432 C LYS A 30 4.054 6.266 9.594 1.00 0.00 C ATOM 433 O LYS A 30 3.168 6.792 10.268 1.00 0.00 O ATOM 434 CB LYS A 30 6.096 4.967 10.227 1.00 0.00 C ATOM 435 CG LYS A 30 6.467 5.991 11.286 1.00 0.00 C ATOM 436 CD LYS A 30 7.953 6.304 11.263 1.00 0.00 C ATOM 437 CE LYS A 30 8.751 5.281 12.056 1.00 0.00 C ATOM 438 NZ LYS A 30 8.449 5.350 13.513 1.00 0.00 N ATOM 0 H LYS A 30 5.132 3.370 8.608 1.00 0.00 H new ATOM 0 HA LYS A 30 4.085 4.540 10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.454 3.986 10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.612 5.213 9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.899 6.907 11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.189 5.615 12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.306 6.322 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.123 7.298 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.528 4.280 11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.816 5.449 11.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.244 4.951 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.306 6.342 13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.586 4.806 13.715 1.00 0.00 H new ATOM 452 N VAL A 31 4.593 6.847 8.528 1.00 0.00 N ATOM 453 CA VAL A 31 4.165 8.166 8.077 1.00 0.00 C ATOM 454 C VAL A 31 2.645 8.247 7.982 1.00 0.00 C ATOM 455 O VAL A 31 2.017 9.096 8.616 1.00 0.00 O ATOM 456 CB VAL A 31 4.774 8.517 6.707 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.299 9.887 6.246 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.293 8.463 6.770 1.00 0.00 C ATOM 0 H VAL A 31 5.328 6.425 7.960 1.00 0.00 H new ATOM 0 HA VAL A 31 4.519 8.884 8.817 1.00 0.00 H new ATOM 0 HB VAL A 31 4.437 7.779 5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.740 10.118 5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.212 9.885 6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.604 10.641 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.707 8.714 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.652 9.178 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.610 7.459 7.051 1.00 0.00 H new ATOM 468 N LEU A 32 2.060 7.359 7.186 1.00 0.00 N ATOM 469 CA LEU A 32 0.613 7.329 7.007 1.00 0.00 C ATOM 470 C LEU A 32 -0.104 7.672 8.309 1.00 0.00 C ATOM 471 O LEU A 32 -0.944 8.571 8.349 1.00 0.00 O ATOM 472 CB LEU A 32 0.168 5.950 6.515 1.00 0.00 C ATOM 473 CG LEU A 32 0.413 5.655 5.035 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.200 4.178 4.743 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.497 6.509 4.164 1.00 0.00 C ATOM 0 H LEU A 32 2.565 6.650 6.654 1.00 0.00 H new ATOM 0 HA LEU A 32 0.349 8.077 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.682 5.192 7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.898 5.841 6.715 1.00 0.00 H new ATOM 0 HG LEU A 32 1.448 5.905 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.379 3.987 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.892 3.585 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.824 3.902 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.309 6.286 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.538 6.290 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.296 7.564 4.353 1.00 0.00 H new ATOM 487 N GLY A 33 0.235 6.951 9.373 1.00 0.00 N ATOM 488 CA GLY A 33 -0.384 7.195 10.663 1.00 0.00 C ATOM 489 C GLY A 33 -0.369 8.662 11.045 1.00 0.00 C ATOM 490 O GLY A 33 -1.404 9.231 11.390 1.00 0.00 O ATOM 0 H GLY A 33 0.927 6.202 9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.414 6.839 10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.137 6.618 11.427 1.00 0.00 H new ATOM 494 N ALA A 34 0.809 9.275 10.985 1.00 0.00 N ATOM 495 CA ALA A 34 0.955 10.684 11.327 1.00 0.00 C ATOM 496 C ALA A 34 -0.117 11.528 10.646 1.00 0.00 C ATOM 497 O ALA A 34 -0.725 12.397 11.269 1.00 0.00 O ATOM 498 CB ALA A 34 2.342 11.179 10.945 1.00 0.00 C ATOM 0 H ALA A 34 1.676 8.817 10.703 1.00 0.00 H new ATOM 0 HA ALA A 34 0.830 10.786 12.405 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.437 12.233 11.206 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.095 10.603 11.483 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.489 11.056 9.872 1.00 0.00 H new ATOM 504 N ASN A 35 -0.342 11.267 9.362 1.00 0.00 N ATOM 505 CA ASN A 35 -1.340 12.004 8.596 1.00 0.00 C ATOM 506 C ASN A 35 -2.708 11.338 8.702 1.00 0.00 C ATOM 507 O ASN A 35 -3.525 11.425 7.785 1.00 0.00 O ATOM 508 CB ASN A 35 -0.918 12.098 7.128 1.00 0.00 C ATOM 509 CG ASN A 35 0.368 12.881 6.945 1.00 0.00 C ATOM 510 OD1 ASN A 35 0.369 14.111 6.983 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.470 12.168 6.744 1.00 0.00 N ATOM 0 H ASN A 35 0.153 10.551 8.831 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.412 13.009 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.789 11.094 6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.714 12.572 6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.365 12.639 6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.421 11.149 6.720 1.00 0.00 H new ATOM 518 N ASN A 36 -2.952 10.674 9.827 1.00 0.00 N ATOM 519 CA ASN A 36 -4.221 9.993 10.053 1.00 0.00 C ATOM 520 C ASN A 36 -4.682 9.267 8.793 1.00 0.00 C ATOM 521 O ASN A 36 -5.864 9.290 8.448 1.00 0.00 O ATOM 522 CB ASN A 36 -5.289 10.995 10.498 1.00 0.00 C ATOM 523 CG ASN A 36 -5.087 11.459 11.927 1.00 0.00 C ATOM 524 OD1 ASN A 36 -4.694 10.679 12.795 1.00 0.00 O ATOM 525 ND2 ASN A 36 -5.356 12.735 12.178 1.00 0.00 N ATOM 0 H ASN A 36 -2.287 10.593 10.596 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.073 9.255 10.842 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.273 11.858 9.833 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.274 10.538 10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.239 13.105 13.121 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.679 13.345 11.427 1.00 0.00 H new ATOM 532 N CYS A 37 -3.741 8.625 8.110 1.00 0.00 N ATOM 533 CA CYS A 37 -4.050 7.892 6.887 1.00 0.00 C ATOM 534 C CYS A 37 -4.391 6.438 7.196 1.00 0.00 C ATOM 535 O CYS A 37 -3.944 5.885 8.201 1.00 0.00 O ATOM 536 CB CYS A 37 -2.869 7.956 5.917 1.00 0.00 C ATOM 537 SG CYS A 37 -2.489 9.622 5.325 1.00 0.00 S ATOM 0 H CYS A 37 -2.758 8.597 8.382 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.918 8.359 6.422 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.986 7.547 6.408 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.082 7.317 5.060 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.873 10.495 6.209 1.00 0.00 H new ATOM 543 N ASP A 38 -5.187 5.825 6.326 1.00 0.00 N ATOM 544 CA ASP A 38 -5.589 4.435 6.506 1.00 0.00 C ATOM 545 C ASP A 38 -5.009 3.554 5.403 1.00 0.00 C ATOM 546 O ASP A 38 -5.255 3.782 4.219 1.00 0.00 O ATOM 547 CB ASP A 38 -7.114 4.321 6.518 1.00 0.00 C ATOM 548 CG ASP A 38 -7.719 4.774 7.832 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.199 5.744 8.421 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.712 4.157 8.273 1.00 0.00 O ATOM 0 H ASP A 38 -5.566 6.269 5.490 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.199 4.091 7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.526 4.920 5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.399 3.286 6.328 1.00 0.00 H new ATOM 555 N TYR A 39 -4.237 2.549 5.801 1.00 0.00 N ATOM 556 CA TYR A 39 -3.619 1.636 4.847 1.00 0.00 C ATOM 557 C TYR A 39 -4.265 0.256 4.917 1.00 0.00 C ATOM 558 O TYR A 39 -5.031 -0.037 5.834 1.00 0.00 O ATOM 559 CB TYR A 39 -2.118 1.524 5.116 1.00 0.00 C ATOM 560 CG TYR A 39 -1.755 1.634 6.580 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.763 2.864 7.227 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.404 0.509 7.316 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.432 2.970 8.564 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.072 0.606 8.653 1.00 0.00 C ATOM 565 CZ TYR A 39 -1.088 1.838 9.273 1.00 0.00 C ATOM 566 OH TYR A 39 -0.757 1.938 10.605 1.00 0.00 O ATOM 0 H TYR A 39 -4.024 2.346 6.778 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.772 2.038 3.846 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.759 0.569 4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.599 2.306 4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.033 3.752 6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.391 -0.458 6.834 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.443 3.934 9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.801 -0.279 9.210 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.541 1.049 10.956 1.00 0.00 H new ATOM 576 N GLU A 40 -3.948 -0.589 3.940 1.00 0.00 N ATOM 577 CA GLU A 40 -4.497 -1.939 3.891 1.00 0.00 C ATOM 578 C GLU A 40 -3.509 -2.904 3.242 1.00 0.00 C ATOM 579 O GLU A 40 -2.893 -2.587 2.225 1.00 0.00 O ATOM 580 CB GLU A 40 -5.818 -1.948 3.119 1.00 0.00 C ATOM 581 CG GLU A 40 -6.624 -3.222 3.307 1.00 0.00 C ATOM 582 CD GLU A 40 -7.329 -3.273 4.649 1.00 0.00 C ATOM 583 OE1 GLU A 40 -6.705 -2.893 5.662 1.00 0.00 O ATOM 584 OE2 GLU A 40 -8.504 -3.693 4.686 1.00 0.00 O ATOM 0 H GLU A 40 -3.315 -0.363 3.173 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.680 -2.267 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.420 -1.097 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.610 -1.813 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.363 -3.301 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.962 -4.083 3.215 1.00 0.00 H new ATOM 591 N GLN A 41 -3.364 -4.083 3.839 1.00 0.00 N ATOM 592 CA GLN A 41 -2.450 -5.094 3.320 1.00 0.00 C ATOM 593 C GLN A 41 -3.018 -5.748 2.065 1.00 0.00 C ATOM 594 O GLN A 41 -3.786 -6.707 2.146 1.00 0.00 O ATOM 595 CB GLN A 41 -2.176 -6.158 4.385 1.00 0.00 C ATOM 596 CG GLN A 41 -0.795 -6.785 4.276 1.00 0.00 C ATOM 597 CD GLN A 41 -0.721 -7.850 3.200 1.00 0.00 C ATOM 598 OE1 GLN A 41 -1.653 -8.635 3.021 1.00 0.00 O ATOM 599 NE2 GLN A 41 0.392 -7.884 2.476 1.00 0.00 N ATOM 0 H GLN A 41 -3.867 -4.361 4.681 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.513 -4.602 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.285 -5.709 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.929 -6.942 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.063 -6.007 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.523 -7.224 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.140 -7.214 2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.499 -8.580 1.738 1.00 0.00 H new ATOM 608 N ARG A 42 -2.636 -5.223 0.906 1.00 0.00 N ATOM 609 CA ARG A 42 -3.108 -5.755 -0.367 1.00 0.00 C ATOM 610 C ARG A 42 -2.222 -6.905 -0.838 1.00 0.00 C ATOM 611 O ARG A 42 -2.613 -8.070 -0.769 1.00 0.00 O ATOM 612 CB ARG A 42 -3.137 -4.652 -1.426 1.00 0.00 C ATOM 613 CG ARG A 42 -4.374 -3.773 -1.357 1.00 0.00 C ATOM 614 CD ARG A 42 -5.509 -4.341 -2.195 1.00 0.00 C ATOM 615 NE ARG A 42 -6.819 -3.951 -1.679 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.964 -4.244 -2.285 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.961 -4.928 -3.421 1.00 0.00 N ATOM 618 NH2 ARG A 42 -9.116 -3.854 -1.754 1.00 0.00 N ATOM 0 H ARG A 42 -2.001 -4.429 0.822 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.119 -6.135 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.251 -4.027 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.080 -5.108 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.697 -3.679 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.129 -2.770 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.407 -3.996 -3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.436 -5.428 -2.214 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.856 -3.425 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.078 -5.231 -3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.842 -5.152 -3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.123 -3.329 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.995 -4.080 -2.220 1.00 0.00 H new ATOM 632 N GLU A 43 -1.029 -6.568 -1.316 1.00 0.00 N ATOM 633 CA GLU A 43 -0.089 -7.573 -1.800 1.00 0.00 C ATOM 634 C GLU A 43 1.080 -7.735 -0.832 1.00 0.00 C ATOM 635 O GLU A 43 1.097 -7.135 0.243 1.00 0.00 O ATOM 636 CB GLU A 43 0.433 -7.190 -3.186 1.00 0.00 C ATOM 637 CG GLU A 43 -0.669 -6.902 -4.193 1.00 0.00 C ATOM 638 CD GLU A 43 -1.348 -8.162 -4.690 1.00 0.00 C ATOM 639 OE1 GLU A 43 -1.898 -8.911 -3.855 1.00 0.00 O ATOM 640 OE2 GLU A 43 -1.331 -8.401 -5.916 1.00 0.00 O ATOM 0 H GLU A 43 -0.690 -5.608 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.617 -8.524 -1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.070 -6.310 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.059 -7.998 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.413 -6.249 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.249 -6.361 -5.041 1.00 0.00 H new ATOM 647 N ARG A 44 2.053 -8.551 -1.221 1.00 0.00 N ATOM 648 CA ARG A 44 3.225 -8.795 -0.388 1.00 0.00 C ATOM 649 C ARG A 44 3.915 -7.484 -0.024 1.00 0.00 C ATOM 650 O ARG A 44 4.374 -7.304 1.105 1.00 0.00 O ATOM 651 CB ARG A 44 4.208 -9.718 -1.110 1.00 0.00 C ATOM 652 CG ARG A 44 5.491 -9.967 -0.335 1.00 0.00 C ATOM 653 CD ARG A 44 5.300 -11.034 0.732 1.00 0.00 C ATOM 654 NE ARG A 44 6.177 -10.823 1.880 1.00 0.00 N ATOM 655 CZ ARG A 44 5.917 -11.287 3.098 1.00 0.00 C ATOM 656 NH1 ARG A 44 4.812 -11.984 3.324 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.764 -11.054 4.092 1.00 0.00 N ATOM 0 H ARG A 44 2.054 -9.055 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 44 2.892 -9.278 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.720 -10.673 -1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.457 -9.284 -2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.278 -10.276 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.821 -9.039 0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.262 -11.033 1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.496 -12.016 0.302 1.00 0.00 H new ATOM 0 HE ARG A 44 7.036 -10.291 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.159 -12.165 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.615 -12.339 4.260 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.615 -10.519 3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.564 -11.410 5.027 1.00 0.00 H new ATOM 671 N PHE A 45 3.986 -6.571 -0.987 1.00 0.00 N ATOM 672 CA PHE A 45 4.622 -5.277 -0.769 1.00 0.00 C ATOM 673 C PHE A 45 3.767 -4.148 -1.338 1.00 0.00 C ATOM 674 O PHE A 45 4.285 -3.195 -1.921 1.00 0.00 O ATOM 675 CB PHE A 45 6.011 -5.252 -1.410 1.00 0.00 C ATOM 676 CG PHE A 45 7.038 -6.035 -0.644 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.215 -7.389 -0.881 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.827 -5.417 0.313 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.160 -8.112 -0.178 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.774 -6.135 1.019 1.00 0.00 C ATOM 681 CZ PHE A 45 8.940 -7.485 0.774 1.00 0.00 C ATOM 0 H PHE A 45 3.611 -6.703 -1.926 1.00 0.00 H new ATOM 0 HA PHE A 45 4.723 -5.127 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.943 -5.650 -2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.344 -4.218 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.607 -7.885 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.701 -4.363 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.289 -9.166 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.384 -5.641 1.761 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.678 -8.048 1.326 1.00 0.00 H new ATOM 691 N LEU A 46 2.455 -4.263 -1.164 1.00 0.00 N ATOM 692 CA LEU A 46 1.526 -3.253 -1.660 1.00 0.00 C ATOM 693 C LEU A 46 0.502 -2.884 -0.592 1.00 0.00 C ATOM 694 O LEU A 46 -0.100 -3.756 0.035 1.00 0.00 O ATOM 695 CB LEU A 46 0.811 -3.761 -2.914 1.00 0.00 C ATOM 696 CG LEU A 46 -0.048 -2.738 -3.658 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.772 -2.027 -4.723 1.00 0.00 C ATOM 698 CD2 LEU A 46 -1.263 -3.412 -4.278 1.00 0.00 C ATOM 0 H LEU A 46 2.010 -5.045 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 46 2.099 -2.361 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.561 -4.146 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.177 -4.601 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.397 -1.995 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.144 -1.303 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.609 -1.511 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.151 -2.757 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.863 -2.669 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.935 -4.177 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.863 -3.874 -3.494 1.00 0.00 H new ATOM 710 N LEU A 47 0.308 -1.585 -0.391 1.00 0.00 N ATOM 711 CA LEU A 47 -0.646 -1.099 0.601 1.00 0.00 C ATOM 712 C LEU A 47 -1.668 -0.166 -0.040 1.00 0.00 C ATOM 713 O LEU A 47 -1.398 0.459 -1.066 1.00 0.00 O ATOM 714 CB LEU A 47 0.088 -0.373 1.729 1.00 0.00 C ATOM 715 CG LEU A 47 1.156 -1.182 2.465 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.071 -0.262 3.258 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.510 -2.212 3.380 1.00 0.00 C ATOM 0 H LEU A 47 0.798 -0.850 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.174 -1.958 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.558 0.519 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.650 -0.036 2.457 1.00 0.00 H new ATOM 0 HG LEU A 47 1.758 -1.710 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.825 -0.856 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.562 0.436 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.483 0.294 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.286 -2.778 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.117 -1.705 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.102 -2.892 2.788 1.00 0.00 H new ATOM 729 N PHE A 48 -2.844 -0.074 0.574 1.00 0.00 N ATOM 730 CA PHE A 48 -3.907 0.785 0.065 1.00 0.00 C ATOM 731 C PHE A 48 -4.159 1.957 1.009 1.00 0.00 C ATOM 732 O PHE A 48 -4.904 1.834 1.982 1.00 0.00 O ATOM 733 CB PHE A 48 -5.195 -0.020 -0.123 1.00 0.00 C ATOM 734 CG PHE A 48 -6.219 0.678 -0.972 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.984 1.709 -0.451 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.417 0.301 -2.290 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.927 2.353 -1.230 1.00 0.00 C ATOM 738 CE2 PHE A 48 -7.358 0.942 -3.074 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.115 1.968 -2.542 1.00 0.00 C ATOM 0 H PHE A 48 -3.084 -0.584 1.424 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.590 1.181 -0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.951 -0.980 -0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.628 -0.231 0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.842 2.013 0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.830 -0.502 -2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.516 3.156 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.501 0.641 -4.101 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.853 2.468 -3.152 1.00 0.00 H new ATOM 749 N CYS A 49 -3.533 3.090 0.715 1.00 0.00 N ATOM 750 CA CYS A 49 -3.687 4.285 1.538 1.00 0.00 C ATOM 751 C CYS A 49 -5.052 4.928 1.312 1.00 0.00 C ATOM 752 O CYS A 49 -5.719 4.660 0.312 1.00 0.00 O ATOM 753 CB CYS A 49 -2.578 5.291 1.226 1.00 0.00 C ATOM 754 SG CYS A 49 -0.915 4.582 1.231 1.00 0.00 S ATOM 0 H CYS A 49 -2.914 3.207 -0.087 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.614 3.988 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.769 5.735 0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.619 6.099 1.957 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.776 3.795 0.206 1.00 0.00 H new ATOM 760 N VAL A 50 -5.463 5.776 2.249 1.00 0.00 N ATOM 761 CA VAL A 50 -6.749 6.457 2.154 1.00 0.00 C ATOM 762 C VAL A 50 -6.732 7.773 2.923 1.00 0.00 C ATOM 763 O VAL A 50 -6.381 7.811 4.103 1.00 0.00 O ATOM 764 CB VAL A 50 -7.892 5.575 2.691 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.156 6.399 2.883 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.146 4.404 1.754 1.00 0.00 C ATOM 0 H VAL A 50 -4.924 6.008 3.083 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.923 6.660 1.097 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.596 5.176 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.953 5.760 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.963 7.201 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.459 6.828 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.957 3.791 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.422 4.780 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.242 3.801 1.672 1.00 0.00 H new ATOM 776 N HIS A 51 -7.115 8.852 2.248 1.00 0.00 N ATOM 777 CA HIS A 51 -7.146 10.171 2.869 1.00 0.00 C ATOM 778 C HIS A 51 -8.293 11.008 2.310 1.00 0.00 C ATOM 779 O HIS A 51 -8.793 10.743 1.217 1.00 0.00 O ATOM 780 CB HIS A 51 -5.817 10.894 2.647 1.00 0.00 C ATOM 781 CG HIS A 51 -5.627 12.086 3.533 1.00 0.00 C ATOM 782 ND1 HIS A 51 -6.190 13.317 3.270 1.00 0.00 N ATOM 783 CD2 HIS A 51 -4.933 12.230 4.687 1.00 0.00 C ATOM 784 CE1 HIS A 51 -5.849 14.167 4.222 1.00 0.00 C ATOM 785 NE2 HIS A 51 -5.087 13.532 5.094 1.00 0.00 N ATOM 0 H HIS A 51 -7.408 8.839 1.271 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.304 10.038 3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.999 10.193 2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.756 11.212 1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.364 11.464 5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.143 15.205 4.278 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.679 13.943 5.934 1.00 0.00 H new ATOM 794 N GLY A 52 -8.705 12.020 3.067 1.00 0.00 N ATOM 795 CA GLY A 52 -9.790 12.880 2.631 1.00 0.00 C ATOM 796 C GLY A 52 -9.299 14.218 2.117 1.00 0.00 C ATOM 797 O GLY A 52 -9.641 14.628 1.008 1.00 0.00 O ATOM 0 H GLY A 52 -8.307 12.260 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.354 12.378 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.476 13.043 3.462 1.00 0.00 H new ATOM 801 N ASP A 53 -8.496 14.902 2.925 1.00 0.00 N ATOM 802 CA ASP A 53 -7.957 16.203 2.546 1.00 0.00 C ATOM 803 C ASP A 53 -9.076 17.157 2.140 1.00 0.00 C ATOM 804 O ASP A 53 -8.919 17.957 1.219 1.00 0.00 O ATOM 805 CB ASP A 53 -6.958 16.050 1.398 1.00 0.00 C ATOM 806 CG ASP A 53 -5.977 17.204 1.327 1.00 0.00 C ATOM 807 OD1 ASP A 53 -6.420 18.366 1.430 1.00 0.00 O ATOM 808 OD2 ASP A 53 -4.766 16.944 1.167 1.00 0.00 O ATOM 0 H ASP A 53 -8.204 14.577 3.847 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.443 16.622 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.408 15.117 1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.500 15.979 0.455 1.00 0.00 H new ATOM 813 N GLY A 54 -10.207 17.065 2.833 1.00 0.00 N ATOM 814 CA GLY A 54 -11.336 17.924 2.529 1.00 0.00 C ATOM 815 C GLY A 54 -12.666 17.264 2.833 1.00 0.00 C ATOM 816 O GLY A 54 -12.979 16.985 3.990 1.00 0.00 O ATOM 0 H GLY A 54 -10.361 16.410 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.252 18.846 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.304 18.201 1.475 1.00 0.00 H new ATOM 820 N HIS A 55 -13.452 17.013 1.790 1.00 0.00 N ATOM 821 CA HIS A 55 -14.757 16.382 1.951 1.00 0.00 C ATOM 822 C HIS A 55 -14.663 14.876 1.725 1.00 0.00 C ATOM 823 O HIS A 55 -13.672 14.379 1.191 1.00 0.00 O ATOM 824 CB HIS A 55 -15.766 16.994 0.979 1.00 0.00 C ATOM 825 CG HIS A 55 -16.477 18.192 1.529 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.808 18.455 1.285 1.00 0.00 N ATOM 827 CD2 HIS A 55 -16.034 19.200 2.316 1.00 0.00 C ATOM 828 CE1 HIS A 55 -18.153 19.574 1.897 1.00 0.00 C ATOM 829 NE2 HIS A 55 -17.094 20.045 2.530 1.00 0.00 N ATOM 0 H HIS A 55 -13.208 17.237 0.825 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.095 16.558 2.972 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.249 17.278 0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -16.502 16.237 0.708 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.033 19.318 2.703 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -19.134 20.026 1.882 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -17.068 20.899 3.088 1.00 0.00 H new ATOM 838 N ALA A 56 -15.701 14.155 2.137 1.00 0.00 N ATOM 839 CA ALA A 56 -15.737 12.707 1.978 1.00 0.00 C ATOM 840 C ALA A 56 -15.957 12.319 0.520 1.00 0.00 C ATOM 841 O ALA A 56 -15.251 11.467 -0.019 1.00 0.00 O ATOM 842 CB ALA A 56 -16.825 12.106 2.856 1.00 0.00 C ATOM 0 H ALA A 56 -16.528 14.551 2.584 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.772 12.309 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.840 11.024 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.623 12.344 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.792 12.519 2.571 1.00 0.00 H new ATOM 848 N GLU A 57 -16.941 12.950 -0.114 1.00 0.00 N ATOM 849 CA GLU A 57 -17.254 12.669 -1.510 1.00 0.00 C ATOM 850 C GLU A 57 -16.016 12.831 -2.388 1.00 0.00 C ATOM 851 O GLU A 57 -15.993 12.385 -3.534 1.00 0.00 O ATOM 852 CB GLU A 57 -18.367 13.596 -2.003 1.00 0.00 C ATOM 853 CG GLU A 57 -17.885 14.994 -2.353 1.00 0.00 C ATOM 854 CD GLU A 57 -19.027 15.954 -2.623 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.084 15.816 -1.971 1.00 0.00 O ATOM 856 OE2 GLU A 57 -18.864 16.844 -3.484 1.00 0.00 O ATOM 0 H GLU A 57 -17.535 13.659 0.317 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.595 11.636 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.836 13.152 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -19.136 13.668 -1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.277 15.380 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.242 14.943 -3.232 1.00 0.00 H new ATOM 863 N ASN A 58 -14.990 13.474 -1.841 1.00 0.00 N ATOM 864 CA ASN A 58 -13.749 13.697 -2.574 1.00 0.00 C ATOM 865 C ASN A 58 -12.579 12.998 -1.888 1.00 0.00 C ATOM 866 O ASN A 58 -11.502 13.576 -1.731 1.00 0.00 O ATOM 867 CB ASN A 58 -13.464 15.196 -2.693 1.00 0.00 C ATOM 868 CG ASN A 58 -14.569 15.939 -3.418 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.572 16.385 -2.669 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.522 16.110 -4.636 1.00 0.00 N flip ATOM 0 H ASN A 58 -14.993 13.850 -0.893 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.866 13.276 -3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.338 15.619 -1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.523 15.343 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.732 15.750 -5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.273 16.612 -5.110 1.00 0.00 H new ATOM 877 N LEU A 59 -12.796 11.752 -1.482 1.00 0.00 N ATOM 878 CA LEU A 59 -11.760 10.973 -0.814 1.00 0.00 C ATOM 879 C LEU A 59 -10.724 10.472 -1.815 1.00 0.00 C ATOM 880 O LEU A 59 -11.066 10.053 -2.921 1.00 0.00 O ATOM 881 CB LEU A 59 -12.383 9.790 -0.071 1.00 0.00 C ATOM 882 CG LEU A 59 -11.526 9.159 1.026 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.745 9.873 2.351 1.00 0.00 C ATOM 884 CD2 LEU A 59 -11.837 7.676 1.160 1.00 0.00 C ATOM 0 H LEU A 59 -13.681 11.259 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.259 11.622 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.322 10.120 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.630 9.018 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.478 9.266 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.127 9.410 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.471 10.923 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.795 9.798 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.217 7.244 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.889 7.546 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.628 7.174 0.216 1.00 0.00 H new ATOM 896 N VAL A 60 -9.456 10.515 -1.419 1.00 0.00 N ATOM 897 CA VAL A 60 -8.370 10.062 -2.280 1.00 0.00 C ATOM 898 C VAL A 60 -7.837 8.708 -1.825 1.00 0.00 C ATOM 899 O VAL A 60 -7.627 8.482 -0.634 1.00 0.00 O ATOM 900 CB VAL A 60 -7.212 11.077 -2.302 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.054 10.547 -3.134 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.690 12.420 -2.833 1.00 0.00 C ATOM 0 H VAL A 60 -9.155 10.859 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.780 9.968 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.859 11.221 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.245 11.277 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.696 9.611 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.390 10.372 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.859 13.125 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.071 12.296 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.484 12.803 -2.192 1.00 0.00 H new ATOM 912 N GLN A 61 -7.620 7.812 -2.783 1.00 0.00 N ATOM 913 CA GLN A 61 -7.111 6.480 -2.480 1.00 0.00 C ATOM 914 C GLN A 61 -5.975 6.104 -3.425 1.00 0.00 C ATOM 915 O GLN A 61 -6.174 5.986 -4.634 1.00 0.00 O ATOM 916 CB GLN A 61 -8.236 5.447 -2.579 1.00 0.00 C ATOM 917 CG GLN A 61 -9.403 5.727 -1.646 1.00 0.00 C ATOM 918 CD GLN A 61 -10.723 5.227 -2.197 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.811 5.537 -1.502 1.00 0.00 O flip ATOM 920 NE2 GLN A 61 -10.766 4.568 -3.237 1.00 0.00 N flip ATOM 0 H GLN A 61 -7.789 7.984 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.724 6.489 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.601 5.417 -3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.832 4.460 -2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.214 5.255 -0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.471 6.800 -1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.905 4.352 -3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.662 4.238 -3.595 1.00 0.00 H new ATOM 929 N TRP A 62 -4.785 5.917 -2.866 1.00 0.00 N ATOM 930 CA TRP A 62 -3.616 5.555 -3.660 1.00 0.00 C ATOM 931 C TRP A 62 -2.852 4.406 -3.011 1.00 0.00 C ATOM 932 O TRP A 62 -2.821 4.284 -1.787 1.00 0.00 O ATOM 933 CB TRP A 62 -2.695 6.764 -3.831 1.00 0.00 C ATOM 934 CG TRP A 62 -2.051 7.205 -2.551 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.788 6.910 -2.126 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.641 8.019 -1.532 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.556 7.492 -0.902 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.677 8.178 -0.517 1.00 0.00 C ATOM 939 CE3 TRP A 62 -3.888 8.631 -1.378 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.924 8.922 0.634 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.132 9.368 -0.235 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.154 9.510 0.758 1.00 0.00 C ATOM 0 H TRP A 62 -4.604 6.010 -1.867 1.00 0.00 H new ATOM 0 HA TRP A 62 -3.961 5.229 -4.641 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.918 6.520 -4.555 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.269 7.593 -4.246 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.076 6.308 -2.671 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.310 7.424 -0.368 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.648 8.530 -2.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.172 9.031 1.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.093 9.843 -0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.375 10.095 1.639 1.00 0.00 H new ATOM 953 N GLU A 63 -2.238 3.566 -3.839 1.00 0.00 N ATOM 954 CA GLU A 63 -1.475 2.427 -3.343 1.00 0.00 C ATOM 955 C GLU A 63 0.000 2.786 -3.189 1.00 0.00 C ATOM 956 O GLU A 63 0.442 3.845 -3.634 1.00 0.00 O ATOM 957 CB GLU A 63 -1.625 1.234 -4.289 1.00 0.00 C ATOM 958 CG GLU A 63 -3.068 0.913 -4.640 1.00 0.00 C ATOM 959 CD GLU A 63 -3.286 -0.561 -4.921 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.282 -1.355 -3.957 1.00 0.00 O ATOM 961 OE2 GLU A 63 -3.461 -0.921 -6.104 1.00 0.00 O ATOM 0 H GLU A 63 -2.254 3.653 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.869 2.157 -2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.073 1.437 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.168 0.357 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.715 1.222 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.363 1.493 -5.514 1.00 0.00 H new ATOM 968 N MET A 64 0.756 1.895 -2.555 1.00 0.00 N ATOM 969 CA MET A 64 2.182 2.118 -2.343 1.00 0.00 C ATOM 970 C MET A 64 2.952 0.803 -2.407 1.00 0.00 C ATOM 971 O MET A 64 2.773 -0.074 -1.563 1.00 0.00 O ATOM 972 CB MET A 64 2.418 2.795 -0.992 1.00 0.00 C ATOM 973 CG MET A 64 1.766 4.163 -0.876 1.00 0.00 C ATOM 974 SD MET A 64 2.834 5.494 -1.457 1.00 0.00 S ATOM 975 CE MET A 64 3.630 5.982 0.071 1.00 0.00 C ATOM 0 H MET A 64 0.406 1.014 -2.180 1.00 0.00 H new ATOM 0 HA MET A 64 2.545 2.771 -3.137 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.035 2.151 -0.200 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.491 2.898 -0.829 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.839 4.169 -1.450 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.498 4.346 0.164 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.214 6.887 -0.096 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.872 6.174 0.831 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.289 5.183 0.409 1.00 0.00 H new ATOM 985 N GLU A 65 3.810 0.673 -3.415 1.00 0.00 N ATOM 986 CA GLU A 65 4.607 -0.536 -3.588 1.00 0.00 C ATOM 987 C GLU A 65 6.088 -0.197 -3.725 1.00 0.00 C ATOM 988 O GLU A 65 6.457 0.765 -4.399 1.00 0.00 O ATOM 989 CB GLU A 65 4.134 -1.312 -4.819 1.00 0.00 C ATOM 990 CG GLU A 65 5.082 -2.423 -5.239 1.00 0.00 C ATOM 991 CD GLU A 65 4.858 -3.706 -4.463 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.695 -3.987 -4.106 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.845 -4.428 -4.211 1.00 0.00 O ATOM 0 H GLU A 65 3.971 1.389 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 65 4.475 -1.157 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.153 -1.741 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.010 -0.618 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.956 -2.620 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.110 -2.091 -5.096 1.00 0.00 H new ATOM 1000 N VAL A 66 6.934 -0.994 -3.080 1.00 0.00 N ATOM 1001 CA VAL A 66 8.375 -0.780 -3.129 1.00 0.00 C ATOM 1002 C VAL A 66 9.053 -1.810 -4.025 1.00 0.00 C ATOM 1003 O VAL A 66 8.940 -3.015 -3.799 1.00 0.00 O ATOM 1004 CB VAL A 66 9.001 -0.847 -1.723 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.486 -0.524 -1.784 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.280 0.097 -0.774 1.00 0.00 C ATOM 0 H VAL A 66 6.646 -1.794 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 66 8.533 0.216 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 66 8.890 -1.862 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.911 -0.576 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.989 -1.244 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.624 0.480 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.735 0.037 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.358 1.118 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.230 -0.186 -0.708 1.00 0.00 H new ATOM 1016 N CYS A 67 9.759 -1.327 -5.043 1.00 0.00 N ATOM 1017 CA CYS A 67 10.456 -2.206 -5.974 1.00 0.00 C ATOM 1018 C CYS A 67 11.844 -1.664 -6.298 1.00 0.00 C ATOM 1019 O CYS A 67 12.166 -0.520 -5.977 1.00 0.00 O ATOM 1020 CB CYS A 67 9.645 -2.367 -7.261 1.00 0.00 C ATOM 1021 SG CYS A 67 9.941 -3.924 -8.131 1.00 0.00 S ATOM 0 H CYS A 67 9.863 -0.332 -5.243 1.00 0.00 H new ATOM 0 HA CYS A 67 10.568 -3.181 -5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.584 -2.294 -7.021 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.878 -1.539 -7.931 1.00 0.00 H new ATOM 0 HG CYS A 67 9.209 -3.967 -9.204 1.00 0.00 H new ATOM 1027 N LYS A 68 12.664 -2.493 -6.936 1.00 0.00 N ATOM 1028 CA LYS A 68 14.018 -2.098 -7.303 1.00 0.00 C ATOM 1029 C LYS A 68 14.061 -1.565 -8.732 1.00 0.00 C ATOM 1030 O LYS A 68 13.924 -2.323 -9.693 1.00 0.00 O ATOM 1031 CB LYS A 68 14.974 -3.285 -7.162 1.00 0.00 C ATOM 1032 CG LYS A 68 15.391 -3.563 -5.729 1.00 0.00 C ATOM 1033 CD LYS A 68 15.976 -4.957 -5.578 1.00 0.00 C ATOM 1034 CE LYS A 68 17.462 -4.976 -5.901 1.00 0.00 C ATOM 1035 NZ LYS A 68 18.119 -6.223 -5.421 1.00 0.00 N ATOM 0 H LYS A 68 12.414 -3.443 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 68 14.333 -1.303 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.497 -4.175 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.865 -3.096 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.126 -2.823 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.529 -3.456 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.820 -5.310 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.450 -5.647 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.600 -4.884 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.944 -4.112 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.131 -6.197 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.009 -6.298 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.676 -7.046 -5.877 1.00 0.00 H new ATOM 1049 N LEU A 69 14.252 -0.257 -8.865 1.00 0.00 N ATOM 1050 CA LEU A 69 14.313 0.378 -10.177 1.00 0.00 C ATOM 1051 C LEU A 69 15.367 -0.290 -11.056 1.00 0.00 C ATOM 1052 O LEU A 69 16.455 -0.644 -10.602 1.00 0.00 O ATOM 1053 CB LEU A 69 14.625 1.868 -10.031 1.00 0.00 C ATOM 1054 CG LEU A 69 13.732 2.649 -9.066 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.501 3.803 -8.442 1.00 0.00 C ATOM 1056 CD2 LEU A 69 12.490 3.158 -9.783 1.00 0.00 C ATOM 0 H LEU A 69 14.367 0.385 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 69 13.340 0.262 -10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.659 1.972 -9.702 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.555 2.332 -11.015 1.00 0.00 H new ATOM 0 HG LEU A 69 13.417 1.977 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.849 4.347 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.359 3.414 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.847 4.476 -9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.866 3.711 -9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.786 3.814 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.928 2.313 -10.181 1.00 0.00 H new ATOM 1068 N PRO A 70 15.039 -0.464 -12.344 1.00 0.00 N ATOM 1069 CA PRO A 70 15.945 -1.087 -13.314 1.00 0.00 C ATOM 1070 C PRO A 70 17.145 -0.204 -13.638 1.00 0.00 C ATOM 1071 O PRO A 70 18.290 -0.653 -13.588 1.00 0.00 O ATOM 1072 CB PRO A 70 15.065 -1.270 -14.554 1.00 0.00 C ATOM 1073 CG PRO A 70 14.011 -0.224 -14.428 1.00 0.00 C ATOM 1074 CD PRO A 70 13.759 -0.066 -12.954 1.00 0.00 C ATOM 0 HA PRO A 70 16.371 -2.016 -12.935 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.641 -1.143 -15.471 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.630 -2.269 -14.587 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.339 0.716 -14.871 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.101 -0.522 -14.950 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.495 0.960 -12.699 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.939 -0.700 -12.616 1.00 0.00 H new ATOM 1082 N ARG A 71 16.875 1.055 -13.968 1.00 0.00 N ATOM 1083 CA ARG A 71 17.933 2.001 -14.300 1.00 0.00 C ATOM 1084 C ARG A 71 18.463 2.687 -13.044 1.00 0.00 C ATOM 1085 O ARG A 71 19.650 2.594 -12.727 1.00 0.00 O ATOM 1086 CB ARG A 71 17.418 3.050 -15.287 1.00 0.00 C ATOM 1087 CG ARG A 71 18.523 3.787 -16.026 1.00 0.00 C ATOM 1088 CD ARG A 71 18.971 3.024 -17.263 1.00 0.00 C ATOM 1089 NE ARG A 71 20.034 2.070 -16.963 1.00 0.00 N ATOM 1090 CZ ARG A 71 21.315 2.406 -16.855 1.00 0.00 C ATOM 1091 NH1 ARG A 71 21.689 3.667 -17.022 1.00 0.00 N ATOM 1092 NH2 ARG A 71 22.224 1.480 -16.579 1.00 0.00 N ATOM 0 H ARG A 71 15.933 1.443 -14.012 1.00 0.00 H new ATOM 0 HA ARG A 71 18.749 1.446 -14.763 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.768 2.564 -16.014 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.807 3.774 -14.748 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.171 4.777 -16.316 1.00 0.00 H new ATOM 0 HG3 ARG A 71 19.373 3.933 -15.360 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.119 2.495 -17.691 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.319 3.729 -18.017 1.00 0.00 H new ATOM 0 HE ARG A 71 19.780 1.091 -16.829 1.00 0.00 H new ATOM 0 HH11 ARG A 71 20.993 4.382 -17.234 1.00 0.00 H new ATOM 0 HH12 ARG A 71 22.673 3.922 -16.939 1.00 0.00 H new ATOM 0 HH21 ARG A 71 21.940 0.509 -16.449 1.00 0.00 H new ATOM 0 HH22 ARG A 71 23.207 1.739 -16.496 1.00 0.00 H new ATOM 1106 N LEU A 72 17.577 3.375 -12.333 1.00 0.00 N ATOM 1107 CA LEU A 72 17.955 4.077 -11.112 1.00 0.00 C ATOM 1108 C LEU A 72 18.603 3.123 -10.114 1.00 0.00 C ATOM 1109 O LEU A 72 19.378 3.540 -9.253 1.00 0.00 O ATOM 1110 CB LEU A 72 16.730 4.739 -10.480 1.00 0.00 C ATOM 1111 CG LEU A 72 16.325 6.095 -11.060 1.00 0.00 C ATOM 1112 CD1 LEU A 72 14.892 6.432 -10.680 1.00 0.00 C ATOM 1113 CD2 LEU A 72 17.275 7.184 -10.583 1.00 0.00 C ATOM 0 H LEU A 72 16.591 3.462 -12.581 1.00 0.00 H new ATOM 0 HA LEU A 72 18.681 4.847 -11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 72 15.884 4.058 -10.576 1.00 0.00 H new ATOM 0 HB3 LEU A 72 16.919 4.864 -9.414 1.00 0.00 H new ATOM 0 HG LEU A 72 16.387 6.037 -12.147 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.622 7.400 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 72 14.222 5.666 -11.071 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.803 6.472 -9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.972 8.142 -11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.246 7.242 -9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.289 6.950 -10.907 1.00 0.00 H new ATOM 1125 N SER A 73 18.282 1.839 -10.236 1.00 0.00 N ATOM 1126 CA SER A 73 18.832 0.825 -9.344 1.00 0.00 C ATOM 1127 C SER A 73 18.729 1.269 -7.888 1.00 0.00 C ATOM 1128 O SER A 73 19.704 1.210 -7.138 1.00 0.00 O ATOM 1129 CB SER A 73 20.292 0.539 -9.700 1.00 0.00 C ATOM 1130 OG SER A 73 20.389 -0.502 -10.658 1.00 0.00 O ATOM 0 H SER A 73 17.644 1.476 -10.944 1.00 0.00 H new ATOM 0 HA SER A 73 18.250 -0.088 -9.470 1.00 0.00 H new ATOM 0 HB2 SER A 73 20.758 1.443 -10.092 1.00 0.00 H new ATOM 0 HB3 SER A 73 20.841 0.262 -8.800 1.00 0.00 H new ATOM 0 HG SER A 73 21.332 -0.665 -10.870 1.00 0.00 H new ATOM 1136 N LEU A 74 17.541 1.715 -7.495 1.00 0.00 N ATOM 1137 CA LEU A 74 17.309 2.170 -6.128 1.00 0.00 C ATOM 1138 C LEU A 74 15.898 1.816 -5.669 1.00 0.00 C ATOM 1139 O LEU A 74 14.988 1.670 -6.484 1.00 0.00 O ATOM 1140 CB LEU A 74 17.526 3.681 -6.029 1.00 0.00 C ATOM 1141 CG LEU A 74 18.974 4.141 -5.859 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.163 5.535 -6.437 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.374 4.112 -4.391 1.00 0.00 C ATOM 0 H LEU A 74 16.724 1.771 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 74 18.021 1.664 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.121 4.146 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 74 16.945 4.057 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 74 19.620 3.453 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.200 5.845 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 74 18.918 5.525 -7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.507 6.235 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.408 4.442 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.723 4.777 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.278 3.096 -4.008 1.00 0.00 H new ATOM 1155 N ASN A 75 15.724 1.683 -4.358 1.00 0.00 N ATOM 1156 CA ASN A 75 14.423 1.348 -3.790 1.00 0.00 C ATOM 1157 C ASN A 75 13.577 2.603 -3.592 1.00 0.00 C ATOM 1158 O ASN A 75 13.881 3.442 -2.746 1.00 0.00 O ATOM 1159 CB ASN A 75 14.598 0.622 -2.455 1.00 0.00 C ATOM 1160 CG ASN A 75 15.780 -0.329 -2.464 1.00 0.00 C ATOM 1161 OD1 ASN A 75 16.934 0.098 -2.469 1.00 0.00 O ATOM 1162 ND2 ASN A 75 15.495 -1.626 -2.468 1.00 0.00 N ATOM 0 H ASN A 75 16.467 1.802 -3.669 1.00 0.00 H new ATOM 0 HA ASN A 75 13.907 0.690 -4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.732 1.356 -1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.689 0.066 -2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.248 -2.314 -2.475 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.523 -1.935 -2.464 1.00 0.00 H new ATOM 1169 N GLY A 76 12.512 2.722 -4.380 1.00 0.00 N ATOM 1170 CA GLY A 76 11.638 3.875 -4.276 1.00 0.00 C ATOM 1171 C GLY A 76 10.246 3.507 -3.801 1.00 0.00 C ATOM 1172 O GLY A 76 10.037 2.429 -3.245 1.00 0.00 O ATOM 0 H GLY A 76 12.240 2.040 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.075 4.597 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.569 4.364 -5.248 1.00 0.00 H new ATOM 1176 N VAL A 77 9.291 4.406 -4.019 1.00 0.00 N ATOM 1177 CA VAL A 77 7.912 4.171 -3.609 1.00 0.00 C ATOM 1178 C VAL A 77 6.951 4.365 -4.777 1.00 0.00 C ATOM 1179 O VAL A 77 7.010 5.373 -5.482 1.00 0.00 O ATOM 1180 CB VAL A 77 7.501 5.108 -2.459 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.055 4.859 -2.058 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.431 4.930 -1.268 1.00 0.00 C ATOM 0 H VAL A 77 9.447 5.304 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 77 7.856 3.139 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 77 7.585 6.138 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.782 5.530 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.404 5.042 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.941 3.826 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.126 5.600 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.382 3.899 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.453 5.163 -1.566 1.00 0.00 H new ATOM 1192 N ARG A 78 6.066 3.394 -4.975 1.00 0.00 N ATOM 1193 CA ARG A 78 5.092 3.458 -6.058 1.00 0.00 C ATOM 1194 C ARG A 78 3.844 4.220 -5.622 1.00 0.00 C ATOM 1195 O ARG A 78 3.501 4.246 -4.440 1.00 0.00 O ATOM 1196 CB ARG A 78 4.709 2.048 -6.512 1.00 0.00 C ATOM 1197 CG ARG A 78 4.338 1.961 -7.983 1.00 0.00 C ATOM 1198 CD ARG A 78 5.558 1.697 -8.851 1.00 0.00 C ATOM 1199 NE ARG A 78 5.856 0.272 -8.958 1.00 0.00 N ATOM 1200 CZ ARG A 78 6.994 -0.207 -9.449 1.00 0.00 C ATOM 1201 NH1 ARG A 78 7.936 0.622 -9.877 1.00 0.00 N ATOM 1202 NH2 ARG A 78 7.191 -1.517 -9.514 1.00 0.00 N ATOM 0 H ARG A 78 6.003 2.554 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 78 5.549 3.990 -6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.542 1.373 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.868 1.698 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.608 1.165 -8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.863 2.891 -8.295 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.390 2.108 -9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.420 2.217 -8.433 1.00 0.00 H new ATOM 0 HE ARG A 78 5.152 -0.393 -8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.788 1.630 -9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.809 0.252 -10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.468 -2.158 -9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.065 -1.883 -9.891 1.00 0.00 H new ATOM 1216 N PHE A 79 3.168 4.838 -6.585 1.00 0.00 N ATOM 1217 CA PHE A 79 1.959 5.602 -6.301 1.00 0.00 C ATOM 1218 C PHE A 79 0.892 5.345 -7.361 1.00 0.00 C ATOM 1219 O PHE A 79 1.057 5.708 -8.526 1.00 0.00 O ATOM 1220 CB PHE A 79 2.278 7.097 -6.235 1.00 0.00 C ATOM 1221 CG PHE A 79 3.192 7.465 -5.101 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.533 7.120 -5.134 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.709 8.157 -4.002 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.375 7.457 -4.092 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.547 8.497 -2.956 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.882 8.147 -3.002 1.00 0.00 C ATOM 0 H PHE A 79 3.437 4.825 -7.569 1.00 0.00 H new ATOM 0 HA PHE A 79 1.573 5.277 -5.335 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.736 7.405 -7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.347 7.655 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.925 6.581 -5.984 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.666 8.434 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.418 7.181 -4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.158 9.035 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.539 8.412 -2.187 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.203 4.715 -6.949 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.299 4.409 -7.861 1.00 0.00 C ATOM 1238 C LYS A 80 -2.489 5.329 -7.609 1.00 0.00 C ATOM 1239 O LYS A 80 -2.791 5.671 -6.465 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.728 2.948 -7.703 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.979 2.594 -8.487 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.678 2.408 -9.965 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.903 1.926 -10.727 1.00 0.00 C ATOM 1244 NZ LYS A 80 -3.532 1.245 -11.998 1.00 0.00 N ATOM 0 H LYS A 80 -0.355 4.406 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.947 4.570 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.912 2.301 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.900 2.741 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.414 1.679 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.722 3.381 -8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.333 3.351 -10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.868 1.689 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.474 1.240 -10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.552 2.774 -10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.227 0.500 -12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.522 1.938 -12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.588 0.820 -11.901 1.00 0.00 H new ATOM 1258 N ARG A 81 -3.163 5.725 -8.684 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.321 6.605 -8.579 1.00 0.00 C ATOM 1260 C ARG A 81 -5.619 5.811 -8.692 1.00 0.00 C ATOM 1261 O ARG A 81 -6.033 5.432 -9.788 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.272 7.679 -9.667 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.134 8.894 -9.362 1.00 0.00 C ATOM 1264 CD ARG A 81 -6.585 8.658 -9.752 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.735 8.419 -11.185 1.00 0.00 N ATOM 1266 CZ ARG A 81 -7.901 8.463 -11.819 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -9.013 8.735 -11.151 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -7.957 8.234 -13.125 1.00 0.00 N ATOM 0 H ARG A 81 -2.927 5.450 -9.638 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.293 7.086 -7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.239 8.001 -9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.596 7.242 -10.612 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.075 9.126 -8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.748 9.760 -9.899 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.974 7.803 -9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.183 9.523 -9.464 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.898 8.207 -11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.975 8.911 -10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.907 8.768 -11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.104 8.024 -13.643 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.853 8.268 -13.611 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.256 5.563 -7.552 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.507 4.815 -7.524 1.00 0.00 C ATOM 1284 C ILE A 82 -8.708 5.754 -7.491 1.00 0.00 C ATOM 1285 O ILE A 82 -9.528 5.761 -8.409 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.572 3.874 -6.306 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.317 3.001 -6.241 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.822 3.009 -6.372 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -6.218 2.000 -7.369 1.00 0.00 C ATOM 0 H ILE A 82 -5.927 5.869 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.540 4.219 -8.436 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.619 4.478 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.436 3.643 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.304 2.467 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.854 2.349 -5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.706 3.647 -6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.803 2.410 -7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.304 1.416 -7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.080 1.333 -7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.198 2.527 -8.323 1.00 0.00 H new ATOM 1301 N SER A 83 -8.804 6.547 -6.429 1.00 0.00 N ATOM 1302 CA SER A 83 -9.906 7.489 -6.275 1.00 0.00 C ATOM 1303 C SER A 83 -9.407 8.928 -6.364 1.00 0.00 C ATOM 1304 O SER A 83 -8.223 9.173 -6.591 1.00 0.00 O ATOM 1305 CB SER A 83 -10.615 7.264 -4.938 1.00 0.00 C ATOM 1306 OG SER A 83 -11.898 7.866 -4.934 1.00 0.00 O ATOM 0 H SER A 83 -8.132 6.556 -5.662 1.00 0.00 H new ATOM 0 HA SER A 83 -10.614 7.318 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.711 6.195 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.013 7.678 -4.129 1.00 0.00 H new ATOM 0 HG SER A 83 -11.896 8.637 -4.329 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.320 9.877 -6.182 1.00 0.00 N ATOM 1313 CA GLY A 84 -9.955 11.280 -6.245 1.00 0.00 C ATOM 1314 C GLY A 84 -9.430 11.682 -7.609 1.00 0.00 C ATOM 1315 O GLY A 84 -8.567 11.010 -8.175 1.00 0.00 O ATOM 0 H GLY A 84 -11.306 9.699 -5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.825 11.890 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.196 11.489 -5.491 1.00 0.00 H new ATOM 1319 N THR A 85 -9.954 12.782 -8.142 1.00 0.00 N ATOM 1320 CA THR A 85 -9.536 13.271 -9.450 1.00 0.00 C ATOM 1321 C THR A 85 -8.036 13.544 -9.481 1.00 0.00 C ATOM 1322 O THR A 85 -7.391 13.637 -8.437 1.00 0.00 O ATOM 1323 CB THR A 85 -10.288 14.559 -9.835 1.00 0.00 C ATOM 1324 OG1 THR A 85 -10.065 14.862 -11.217 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.836 15.728 -8.974 1.00 0.00 C ATOM 0 H THR A 85 -10.669 13.351 -7.688 1.00 0.00 H new ATOM 0 HA THR A 85 -9.776 12.489 -10.171 1.00 0.00 H new ATOM 0 HB THR A 85 -11.353 14.396 -9.667 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.548 15.681 -11.454 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.381 16.626 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.035 15.506 -7.926 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.767 15.891 -9.114 1.00 0.00 H new ATOM 1333 N SER A 86 -7.488 13.672 -10.685 1.00 0.00 N ATOM 1334 CA SER A 86 -6.062 13.932 -10.852 1.00 0.00 C ATOM 1335 C SER A 86 -5.576 14.964 -9.839 1.00 0.00 C ATOM 1336 O SER A 86 -4.682 14.690 -9.038 1.00 0.00 O ATOM 1337 CB SER A 86 -5.774 14.419 -12.273 1.00 0.00 C ATOM 1338 OG SER A 86 -6.707 15.409 -12.672 1.00 0.00 O ATOM 0 H SER A 86 -8.009 13.600 -11.559 1.00 0.00 H new ATOM 0 HA SER A 86 -5.525 12.999 -10.680 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.764 14.825 -12.324 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.814 13.577 -12.964 1.00 0.00 H new ATOM 0 HG SER A 86 -6.500 15.705 -13.583 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.171 16.151 -9.882 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.800 17.225 -8.969 1.00 0.00 C ATOM 1346 C ILE A 87 -5.681 16.712 -7.538 1.00 0.00 C ATOM 1347 O ILE A 87 -4.586 16.652 -6.978 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.823 18.375 -9.007 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.830 19.036 -10.387 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.510 19.398 -7.925 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -8.074 19.852 -10.660 1.00 0.00 C ATOM 0 H ILE A 87 -6.912 16.393 -10.539 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.832 17.601 -9.300 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.815 17.965 -8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.956 19.681 -10.477 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.737 18.264 -11.151 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.242 20.205 -7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.552 18.918 -6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.512 19.805 -8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.010 20.291 -11.656 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.951 19.208 -10.603 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.158 20.646 -9.918 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.814 16.342 -6.951 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.837 15.830 -5.587 1.00 0.00 C ATOM 1365 C ALA A 88 -5.725 14.811 -5.364 1.00 0.00 C ATOM 1366 O ALA A 88 -4.971 14.901 -4.395 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.192 15.211 -5.277 1.00 0.00 C ATOM 0 H ALA A 88 -7.729 16.387 -7.400 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.669 16.667 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.194 14.833 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.970 15.966 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.384 14.390 -5.968 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.628 13.841 -6.267 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.608 12.803 -6.168 1.00 0.00 C ATOM 1375 C PHE A 89 -3.231 13.415 -5.926 1.00 0.00 C ATOM 1376 O PHE A 89 -2.555 13.084 -4.952 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.586 11.957 -7.443 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.466 10.957 -7.479 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.284 10.063 -6.437 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.595 10.911 -8.556 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.255 9.141 -6.467 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.564 9.991 -8.592 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.393 9.106 -7.546 1.00 0.00 C ATOM 0 H PHE A 89 -6.243 13.752 -7.076 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.856 12.164 -5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.536 11.430 -7.537 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.501 12.617 -8.306 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.954 10.087 -5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.723 11.602 -9.376 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.125 8.449 -5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.893 9.964 -9.438 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.587 8.388 -7.571 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.822 14.308 -6.820 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.527 14.968 -6.705 1.00 0.00 C ATOM 1395 C LYS A 90 -1.424 15.740 -5.394 1.00 0.00 C ATOM 1396 O LYS A 90 -0.482 15.552 -4.625 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.308 15.917 -7.886 1.00 0.00 C ATOM 1398 CG LYS A 90 -0.064 16.778 -7.753 1.00 0.00 C ATOM 1399 CD LYS A 90 0.071 17.747 -8.915 1.00 0.00 C ATOM 1400 CE LYS A 90 -0.761 19.001 -8.693 1.00 0.00 C ATOM 1401 NZ LYS A 90 -0.370 20.097 -9.623 1.00 0.00 N ATOM 0 H LYS A 90 -3.369 14.592 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.754 14.200 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.238 15.332 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.179 16.565 -7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.104 17.335 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.818 16.139 -7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.118 18.021 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.244 17.258 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.816 18.766 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.642 19.338 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.960 20.934 -9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.630 20.339 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.507 19.784 -10.605 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.399 16.608 -5.145 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.417 17.408 -3.926 1.00 0.00 C ATOM 1417 C ASN A 91 -1.841 16.623 -2.751 1.00 0.00 C ATOM 1418 O ASN A 91 -0.744 16.915 -2.275 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.846 17.852 -3.604 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.211 19.159 -4.282 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -5.018 19.074 -5.333 1.00 0.00 O flip ATOM 1422 ND2 ASN A 91 -3.773 20.231 -3.865 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.187 16.775 -5.771 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.797 18.289 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.544 17.076 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.955 17.962 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.155 20.249 -3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.028 21.102 -4.331 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.588 15.625 -2.290 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.150 14.797 -1.173 1.00 0.00 C ATOM 1431 C ILE A 92 -0.848 14.074 -1.502 1.00 0.00 C ATOM 1432 O ILE A 92 0.076 14.040 -0.690 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.219 13.757 -0.791 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.697 12.840 0.317 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.627 12.943 -2.010 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.679 13.492 1.682 1.00 0.00 C ATOM 0 H ILE A 92 -3.499 15.370 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.988 15.466 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.098 14.283 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.317 11.945 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.687 12.517 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.383 12.212 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.035 13.608 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.755 12.425 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.298 12.784 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.036 14.371 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.691 13.791 1.956 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.783 13.499 -2.698 1.00 0.00 N ATOM 1449 CA ALA A 93 0.407 12.780 -3.136 1.00 0.00 C ATOM 1450 C ALA A 93 1.677 13.518 -2.724 1.00 0.00 C ATOM 1451 O ALA A 93 2.586 12.929 -2.139 1.00 0.00 O ATOM 1452 CB ALA A 93 0.377 12.579 -4.644 1.00 0.00 C ATOM 0 H ALA A 93 -1.540 13.517 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 93 0.411 11.804 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.272 12.041 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.507 12.003 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.345 13.549 -5.140 1.00 0.00 H new ATOM 1458 N SER A 94 1.732 14.809 -3.033 1.00 0.00 N ATOM 1459 CA SER A 94 2.893 15.626 -2.699 1.00 0.00 C ATOM 1460 C SER A 94 3.193 15.558 -1.205 1.00 0.00 C ATOM 1461 O SER A 94 4.353 15.503 -0.794 1.00 0.00 O ATOM 1462 CB SER A 94 2.658 17.079 -3.118 1.00 0.00 C ATOM 1463 OG SER A 94 3.812 17.869 -2.890 1.00 0.00 O ATOM 0 H SER A 94 0.986 15.312 -3.514 1.00 0.00 H new ATOM 0 HA SER A 94 3.752 15.233 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.390 17.117 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.816 17.490 -2.560 1.00 0.00 H new ATOM 0 HG SER A 94 3.636 18.792 -3.167 1.00 0.00 H new ATOM 1469 N LYS A 95 2.140 15.562 -0.395 1.00 0.00 N ATOM 1470 CA LYS A 95 2.287 15.499 1.054 1.00 0.00 C ATOM 1471 C LYS A 95 3.082 14.264 1.467 1.00 0.00 C ATOM 1472 O LYS A 95 3.976 14.343 2.309 1.00 0.00 O ATOM 1473 CB LYS A 95 0.913 15.483 1.727 1.00 0.00 C ATOM 1474 CG LYS A 95 0.048 16.679 1.371 1.00 0.00 C ATOM 1475 CD LYS A 95 0.442 17.910 2.170 1.00 0.00 C ATOM 1476 CE LYS A 95 0.072 19.192 1.439 1.00 0.00 C ATOM 1477 NZ LYS A 95 -1.403 19.348 1.305 1.00 0.00 N ATOM 0 H LYS A 95 1.174 15.608 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 95 2.832 16.386 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.390 14.570 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.048 15.451 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.139 16.891 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.999 16.441 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.052 17.888 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.515 17.894 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.480 20.048 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.528 19.190 0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.615 20.249 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.785 18.562 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.840 19.341 2.249 1.00 0.00 H new ATOM 1491 N ILE A 96 2.750 13.125 0.868 1.00 0.00 N ATOM 1492 CA ILE A 96 3.434 11.875 1.172 1.00 0.00 C ATOM 1493 C ILE A 96 4.867 11.892 0.652 1.00 0.00 C ATOM 1494 O ILE A 96 5.820 11.804 1.426 1.00 0.00 O ATOM 1495 CB ILE A 96 2.695 10.667 0.567 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.223 10.680 0.985 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.361 9.368 0.998 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.000 10.283 2.427 1.00 0.00 C ATOM 0 H ILE A 96 2.011 13.043 0.169 1.00 0.00 H new ATOM 0 HA ILE A 96 3.445 11.778 2.258 1.00 0.00 H new ATOM 0 HB ILE A 96 2.746 10.736 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.817 11.679 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.665 10.002 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.827 8.523 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.396 9.359 0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.338 9.290 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.066 10.315 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.375 9.272 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.530 10.975 3.081 1.00 0.00 H new ATOM 1510 N ALA A 97 5.012 12.008 -0.664 1.00 0.00 N ATOM 1511 CA ALA A 97 6.329 12.041 -1.288 1.00 0.00 C ATOM 1512 C ALA A 97 7.333 12.780 -0.411 1.00 0.00 C ATOM 1513 O ALA A 97 8.462 12.327 -0.225 1.00 0.00 O ATOM 1514 CB ALA A 97 6.246 12.690 -2.661 1.00 0.00 C ATOM 0 H ALA A 97 4.233 12.081 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 97 6.675 11.014 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.237 12.708 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.567 12.118 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.875 13.710 -2.560 1.00 0.00 H new ATOM 1520 N ASN A 98 6.916 13.923 0.125 1.00 0.00 N ATOM 1521 CA ASN A 98 7.780 14.726 0.982 1.00 0.00 C ATOM 1522 C ASN A 98 7.816 14.164 2.400 1.00 0.00 C ATOM 1523 O ASN A 98 8.869 13.758 2.890 1.00 0.00 O ATOM 1524 CB ASN A 98 7.298 16.178 1.010 1.00 0.00 C ATOM 1525 CG ASN A 98 8.127 17.045 1.938 1.00 0.00 C ATOM 1526 OD1 ASN A 98 9.323 16.813 2.119 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.493 18.049 2.532 1.00 0.00 N ATOM 0 H ASN A 98 5.985 14.314 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 98 8.789 14.692 0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.336 16.590 0.002 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.255 16.206 1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.998 18.666 3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.501 18.203 2.352 1.00 0.00 H new ATOM 1534 N GLU A 99 6.657 14.142 3.052 1.00 0.00 N ATOM 1535 CA GLU A 99 6.557 13.630 4.413 1.00 0.00 C ATOM 1536 C GLU A 99 7.459 12.414 4.605 1.00 0.00 C ATOM 1537 O GLU A 99 8.002 12.194 5.688 1.00 0.00 O ATOM 1538 CB GLU A 99 5.108 13.259 4.736 1.00 0.00 C ATOM 1539 CG GLU A 99 4.268 14.435 5.205 1.00 0.00 C ATOM 1540 CD GLU A 99 4.789 15.048 6.491 1.00 0.00 C ATOM 1541 OE1 GLU A 99 5.712 15.885 6.418 1.00 0.00 O ATOM 1542 OE2 GLU A 99 4.272 14.689 7.570 1.00 0.00 O ATOM 0 H GLU A 99 5.776 14.473 2.659 1.00 0.00 H new ATOM 0 HA GLU A 99 6.885 14.415 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.647 12.825 3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.102 12.489 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.249 15.197 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.240 14.106 5.354 1.00 0.00 H new ATOM 1549 N LEU A 100 7.615 11.628 3.545 1.00 0.00 N ATOM 1550 CA LEU A 100 8.451 10.433 3.596 1.00 0.00 C ATOM 1551 C LEU A 100 9.909 10.800 3.857 1.00 0.00 C ATOM 1552 O LEU A 100 10.584 11.361 2.994 1.00 0.00 O ATOM 1553 CB LEU A 100 8.337 9.651 2.286 1.00 0.00 C ATOM 1554 CG LEU A 100 6.976 9.015 2.000 1.00 0.00 C ATOM 1555 CD1 LEU A 100 6.855 8.654 0.528 1.00 0.00 C ATOM 1556 CD2 LEU A 100 6.769 7.786 2.872 1.00 0.00 C ATOM 0 H LEU A 100 7.174 11.796 2.641 1.00 0.00 H new ATOM 0 HA LEU A 100 8.100 9.808 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.582 10.322 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.090 8.863 2.290 1.00 0.00 H new ATOM 0 HG LEU A 100 6.199 9.741 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.880 8.203 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.959 9.555 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.639 7.946 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.796 7.346 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.551 7.056 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.811 8.074 3.922 1.00 0.00 H new ATOM 1568 N LYS A 101 10.389 10.476 5.053 1.00 0.00 N ATOM 1569 CA LYS A 101 11.767 10.768 5.429 1.00 0.00 C ATOM 1570 C LYS A 101 12.630 9.512 5.350 1.00 0.00 C ATOM 1571 O LYS A 101 12.924 8.884 6.368 1.00 0.00 O ATOM 1572 CB LYS A 101 11.820 11.348 6.844 1.00 0.00 C ATOM 1573 CG LYS A 101 11.256 12.754 6.946 1.00 0.00 C ATOM 1574 CD LYS A 101 12.139 13.763 6.230 1.00 0.00 C ATOM 1575 CE LYS A 101 11.835 15.185 6.676 1.00 0.00 C ATOM 1576 NZ LYS A 101 10.521 15.659 6.160 1.00 0.00 N ATOM 0 H LYS A 101 9.844 10.011 5.779 1.00 0.00 H new ATOM 0 HA LYS A 101 12.161 11.503 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.266 10.694 7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.855 11.355 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.254 12.777 6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.160 13.033 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.187 13.535 6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.991 13.679 5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.836 15.232 7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.624 15.851 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.351 16.632 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.528 15.638 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.765 15.038 6.513 1.00 0.00 H new ATOM 1590 N LEU A 102 13.033 9.151 4.137 1.00 0.00 N ATOM 1591 CA LEU A 102 13.863 7.971 3.926 1.00 0.00 C ATOM 1592 C LEU A 102 15.337 8.352 3.826 1.00 0.00 C ATOM 1593 O LEU A 102 16.143 7.613 3.262 1.00 0.00 O ATOM 1594 CB LEU A 102 13.428 7.237 2.657 1.00 0.00 C ATOM 1595 CG LEU A 102 12.004 6.680 2.658 1.00 0.00 C ATOM 1596 CD1 LEU A 102 11.494 6.514 1.235 1.00 0.00 C ATOM 1597 CD2 LEU A 102 11.950 5.355 3.404 1.00 0.00 C ATOM 0 H LEU A 102 12.798 9.659 3.284 1.00 0.00 H new ATOM 0 HA LEU A 102 13.735 7.310 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.529 7.920 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.119 6.412 2.483 1.00 0.00 H new ATOM 0 HG LEU A 102 11.357 7.391 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.479 6.117 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.494 7.482 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.142 5.825 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.929 4.973 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.610 4.637 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.272 5.504 4.435 1.00 0.00 H new TER 1609 LEU A 102