USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 553 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 54 GLN : amide:sc= -0.647 K(o=-1.2,f=-2.4) USER MOD Set 1.2: A 80 GLN :FLIP amide:sc= -0.596 F(o=-4.5!,f=-1.2) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -124:sc= 2.36 (180deg=-0.128) USER MOD Set 2.2: A 41 GLN : amide:sc= 0.407 K(o=2.8,f=-5!) USER MOD Single : A 20 MET CE :methyl 152:sc= -0.24 (180deg=-0.614) USER MOD Single : A 21 LYS NZ :NH3+ -116:sc= 0.0246! (180deg=-2.76!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00138 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= 1.19 (180deg=-0.951) USER MOD Single : A 31 SER OG : rot 180:sc= 0.558 USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.887 (180deg=-1.48) USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= -7.42! (180deg=-12.7!) USER MOD Single : A 47 GLN : amide:sc= -2.27 K(o=-2.3,f=-7.6!) USER MOD Single : A 53 LYS NZ :NH3+ -125:sc= 0.766 (180deg=-0.0408) USER MOD Single : A 58 ASN : amide:sc= 0.134 K(o=0.13,f=-4.1!) USER MOD Single : A 60 TYR OH : rot 93:sc= -2.08! USER MOD Single : A 63 TYR OH : rot 120:sc= -0.836 USER MOD Single : A 74 LYS NZ :NH3+ -131:sc= -1.27! (180deg=-4.91!) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.91 F(o=-3.2!,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 3.610 -3.119 0.776 1.00 0.48 N ATOM 2 CA MET A 20 4.882 -2.967 0.018 1.00 0.29 C ATOM 3 C MET A 20 5.095 -1.463 -0.125 1.00 0.42 C ATOM 4 O MET A 20 4.244 -0.704 0.292 1.00 0.52 O ATOM 5 CB MET A 20 4.746 -3.642 -1.371 1.00 0.30 C ATOM 6 CG MET A 20 4.534 -5.166 -1.192 1.00 0.23 C ATOM 7 SD MET A 20 3.149 -5.704 -0.154 1.00 0.77 S ATOM 8 CE MET A 20 4.045 -6.089 1.374 1.00 3.40 C ATOM 0 HA MET A 20 5.725 -3.438 0.523 1.00 0.29 H new ATOM 0 HB2 MET A 20 3.907 -3.210 -1.916 1.00 0.30 H new ATOM 0 HB3 MET A 20 5.641 -3.457 -1.965 1.00 0.30 H new ATOM 0 HG2 MET A 20 4.403 -5.605 -2.181 1.00 0.23 H new ATOM 0 HG3 MET A 20 5.449 -5.586 -0.775 1.00 0.23 H new ATOM 0 HE1 MET A 20 3.382 -5.953 2.229 1.00 3.40 H new ATOM 0 HE2 MET A 20 4.390 -7.123 1.343 1.00 3.40 H new ATOM 0 HE3 MET A 20 4.903 -5.423 1.470 1.00 3.40 H new ATOM 20 N LYS A 21 6.186 -1.077 -0.693 1.00 0.43 N ATOM 21 CA LYS A 21 6.501 0.365 -0.880 1.00 0.54 C ATOM 22 C LYS A 21 6.366 0.819 -2.314 1.00 0.41 C ATOM 23 O LYS A 21 6.433 0.068 -3.268 1.00 0.29 O ATOM 24 CB LYS A 21 7.902 0.530 -0.345 1.00 0.66 C ATOM 25 CG LYS A 21 8.000 1.631 0.725 1.00 1.07 C ATOM 26 CD LYS A 21 9.055 1.182 1.783 1.00 1.38 C ATOM 27 CE LYS A 21 10.303 0.534 1.146 1.00 1.24 C ATOM 28 NZ LYS A 21 10.829 1.524 0.195 1.00 2.23 N ATOM 0 H LYS A 21 6.899 -1.714 -1.049 1.00 0.43 H new ATOM 0 HA LYS A 21 5.790 0.998 -0.349 1.00 0.54 H new ATOM 0 HB2 LYS A 21 8.239 -0.416 0.080 1.00 0.66 H new ATOM 0 HB3 LYS A 21 8.576 0.767 -1.168 1.00 0.66 H new ATOM 0 HG2 LYS A 21 8.294 2.578 0.272 1.00 1.07 H new ATOM 0 HG3 LYS A 21 7.031 1.791 1.197 1.00 1.07 H new ATOM 0 HD2 LYS A 21 9.361 2.046 2.373 1.00 1.38 H new ATOM 0 HD3 LYS A 21 8.594 0.473 2.471 1.00 1.38 H new ATOM 0 HE2 LYS A 21 11.046 0.288 1.905 1.00 1.24 H new ATOM 0 HE3 LYS A 21 10.045 -0.396 0.639 1.00 1.24 H new ATOM 0 HZ1 LYS A 21 10.767 1.144 -0.771 1.00 2.23 H new ATOM 0 HZ2 LYS A 21 10.270 2.399 0.260 1.00 2.23 H new ATOM 0 HZ3 LYS A 21 11.822 1.731 0.423 1.00 2.23 H new ATOM 42 N THR A 22 6.165 2.098 -2.319 1.00 0.52 N ATOM 43 CA THR A 22 5.983 2.910 -3.555 1.00 0.57 C ATOM 44 C THR A 22 6.956 4.080 -3.620 1.00 0.57 C ATOM 45 O THR A 22 6.985 4.828 -4.578 1.00 0.59 O ATOM 46 CB THR A 22 4.569 3.435 -3.582 1.00 0.86 C ATOM 47 OG1 THR A 22 4.374 3.851 -2.242 1.00 1.01 O ATOM 48 CG2 THR A 22 3.586 2.291 -3.665 1.00 0.98 C ATOM 0 H THR A 22 6.116 2.651 -1.463 1.00 0.52 H new ATOM 0 HA THR A 22 6.180 2.271 -4.416 1.00 0.57 H new ATOM 0 HB THR A 22 4.437 4.156 -4.389 1.00 0.86 H new ATOM 0 HG1 THR A 22 3.471 4.218 -2.142 1.00 1.01 H new ATOM 0 HG21 THR A 22 2.570 2.685 -3.684 1.00 0.98 H new ATOM 0 HG22 THR A 22 3.770 1.718 -4.574 1.00 0.98 H new ATOM 0 HG23 THR A 22 3.708 1.643 -2.797 1.00 0.98 H new ATOM 56 N GLU A 23 7.710 4.200 -2.557 1.00 0.56 N ATOM 57 CA GLU A 23 8.761 5.285 -2.409 1.00 0.51 C ATOM 58 C GLU A 23 9.978 4.618 -1.720 1.00 0.42 C ATOM 59 O GLU A 23 9.798 3.859 -0.783 1.00 0.42 O ATOM 60 CB GLU A 23 8.263 6.450 -1.512 1.00 0.67 C ATOM 61 CG GLU A 23 6.950 7.131 -2.082 1.00 0.92 C ATOM 62 CD GLU A 23 6.246 7.935 -0.979 1.00 1.15 C ATOM 63 OE1 GLU A 23 5.570 7.255 -0.234 1.00 2.14 O ATOM 64 OE2 GLU A 23 6.441 9.140 -0.955 1.00 0.99 O ATOM 0 H GLU A 23 7.647 3.576 -1.753 1.00 0.56 H new ATOM 0 HA GLU A 23 9.002 5.702 -3.387 1.00 0.51 H new ATOM 0 HB2 GLU A 23 8.068 6.074 -0.508 1.00 0.67 H new ATOM 0 HB3 GLU A 23 9.049 7.200 -1.424 1.00 0.67 H new ATOM 0 HG2 GLU A 23 7.204 7.787 -2.914 1.00 0.92 H new ATOM 0 HG3 GLU A 23 6.276 6.368 -2.472 1.00 0.92 H new ATOM 71 N TRP A 24 11.181 4.900 -2.150 1.00 0.38 N ATOM 72 CA TRP A 24 12.365 4.237 -1.493 1.00 0.36 C ATOM 73 C TRP A 24 13.514 5.021 -0.836 1.00 0.30 C ATOM 74 O TRP A 24 14.641 4.977 -1.295 1.00 0.27 O ATOM 75 CB TRP A 24 12.931 3.284 -2.549 1.00 0.30 C ATOM 76 CG TRP A 24 11.975 2.137 -2.807 1.00 0.35 C ATOM 77 CD1 TRP A 24 12.063 0.941 -2.170 1.00 0.51 C ATOM 78 CD2 TRP A 24 10.907 2.150 -3.640 1.00 0.28 C ATOM 79 NE1 TRP A 24 11.022 0.297 -2.656 1.00 0.51 N ATOM 80 CE2 TRP A 24 10.277 0.934 -3.534 1.00 0.37 C ATOM 81 CE3 TRP A 24 10.399 3.107 -4.511 1.00 0.21 C ATOM 82 CZ2 TRP A 24 9.158 0.655 -4.270 1.00 0.32 C ATOM 83 CZ3 TRP A 24 9.250 2.817 -5.262 1.00 0.23 C ATOM 84 CH2 TRP A 24 8.644 1.589 -5.127 1.00 0.22 C ATOM 0 H TRP A 24 11.400 5.545 -2.910 1.00 0.38 H new ATOM 0 HA TRP A 24 11.935 3.812 -0.586 1.00 0.36 H new ATOM 0 HB2 TRP A 24 13.112 3.828 -3.476 1.00 0.30 H new ATOM 0 HB3 TRP A 24 13.892 2.894 -2.215 1.00 0.30 H new ATOM 0 HD1 TRP A 24 12.796 0.605 -1.452 1.00 0.51 H new ATOM 0 HE1 TRP A 24 10.802 -0.655 -2.364 1.00 0.51 H new ATOM 0 HE3 TRP A 24 10.885 4.066 -4.609 1.00 0.21 H new ATOM 0 HZ2 TRP A 24 8.678 -0.308 -4.174 1.00 0.32 H new ATOM 0 HZ3 TRP A 24 8.844 3.552 -5.941 1.00 0.23 H new ATOM 0 HH2 TRP A 24 7.758 1.361 -5.701 1.00 0.22 H new ATOM 95 N PRO A 25 13.237 5.709 0.243 1.00 0.32 N ATOM 96 CA PRO A 25 14.312 6.429 0.988 1.00 0.36 C ATOM 97 C PRO A 25 15.549 5.526 1.231 1.00 0.37 C ATOM 98 O PRO A 25 16.686 5.900 1.042 1.00 0.44 O ATOM 99 CB PRO A 25 13.558 6.919 2.251 1.00 0.38 C ATOM 100 CG PRO A 25 12.306 5.994 2.346 1.00 0.33 C ATOM 101 CD PRO A 25 11.895 5.832 0.882 1.00 0.35 C ATOM 0 HA PRO A 25 14.769 7.266 0.460 1.00 0.36 H new ATOM 0 HB2 PRO A 25 14.181 6.836 3.142 1.00 0.38 H new ATOM 0 HB3 PRO A 25 13.271 7.967 2.160 1.00 0.38 H new ATOM 0 HG2 PRO A 25 12.545 5.036 2.808 1.00 0.33 H new ATOM 0 HG3 PRO A 25 11.513 6.446 2.941 1.00 0.33 H new ATOM 0 HD2 PRO A 25 11.275 4.951 0.719 1.00 0.35 H new ATOM 0 HD3 PRO A 25 11.334 6.690 0.510 1.00 0.35 H new ATOM 109 N GLU A 26 15.231 4.332 1.623 1.00 0.31 N ATOM 110 CA GLU A 26 16.170 3.217 1.948 1.00 0.42 C ATOM 111 C GLU A 26 17.330 3.058 0.962 1.00 0.44 C ATOM 112 O GLU A 26 18.419 2.625 1.289 1.00 0.57 O ATOM 113 CB GLU A 26 15.397 1.912 1.958 1.00 0.41 C ATOM 114 CG GLU A 26 14.181 1.944 2.908 1.00 1.55 C ATOM 115 CD GLU A 26 12.876 2.416 2.264 1.00 2.74 C ATOM 116 OE1 GLU A 26 12.964 2.876 1.145 1.00 3.49 O ATOM 117 OE2 GLU A 26 11.837 2.301 2.881 1.00 3.13 O ATOM 0 H GLU A 26 14.256 4.056 1.743 1.00 0.31 H new ATOM 0 HA GLU A 26 16.602 3.464 2.918 1.00 0.42 H new ATOM 0 HB2 GLU A 26 15.056 1.689 0.947 1.00 0.41 H new ATOM 0 HB3 GLU A 26 16.064 1.103 2.256 1.00 0.41 H new ATOM 0 HG2 GLU A 26 14.028 0.944 3.314 1.00 1.55 H new ATOM 0 HG3 GLU A 26 14.412 2.598 3.749 1.00 1.55 H new ATOM 124 N LEU A 27 17.028 3.418 -0.247 1.00 0.34 N ATOM 125 CA LEU A 27 17.983 3.333 -1.370 1.00 0.38 C ATOM 126 C LEU A 27 18.854 4.549 -1.636 1.00 0.35 C ATOM 127 O LEU A 27 19.840 4.398 -2.334 1.00 0.32 O ATOM 128 CB LEU A 27 17.114 2.968 -2.586 1.00 0.54 C ATOM 129 CG LEU A 27 16.205 1.755 -2.250 1.00 0.41 C ATOM 130 CD1 LEU A 27 15.313 1.440 -3.477 1.00 0.85 C ATOM 131 CD2 LEU A 27 17.149 0.581 -1.965 1.00 0.99 C ATOM 0 H LEU A 27 16.113 3.785 -0.511 1.00 0.34 H new ATOM 0 HA LEU A 27 18.744 2.592 -1.125 1.00 0.38 H new ATOM 0 HB2 LEU A 27 16.501 3.822 -2.874 1.00 0.54 H new ATOM 0 HB3 LEU A 27 17.750 2.730 -3.439 1.00 0.54 H new ATOM 0 HG LEU A 27 15.556 1.950 -1.396 1.00 0.41 H new ATOM 0 HD11 LEU A 27 14.671 0.589 -3.251 1.00 0.85 H new ATOM 0 HD12 LEU A 27 14.697 2.308 -3.711 1.00 0.85 H new ATOM 0 HD13 LEU A 27 15.943 1.201 -4.333 1.00 0.85 H new ATOM 0 HD21 LEU A 27 16.564 -0.306 -1.721 1.00 0.99 H new ATOM 0 HD22 LEU A 27 17.759 0.382 -2.846 1.00 0.99 H new ATOM 0 HD23 LEU A 27 17.797 0.831 -1.125 1.00 0.99 H new ATOM 143 N VAL A 28 18.537 5.698 -1.115 1.00 0.38 N ATOM 144 CA VAL A 28 19.398 6.887 -1.392 1.00 0.36 C ATOM 145 C VAL A 28 20.832 6.588 -0.883 1.00 0.40 C ATOM 146 O VAL A 28 21.010 6.129 0.230 1.00 0.48 O ATOM 147 CB VAL A 28 18.765 8.098 -0.661 1.00 0.37 C ATOM 148 CG1 VAL A 28 19.518 9.371 -1.058 1.00 0.41 C ATOM 149 CG2 VAL A 28 17.293 8.282 -1.088 1.00 0.38 C ATOM 0 H VAL A 28 17.730 5.869 -0.516 1.00 0.38 H new ATOM 0 HA VAL A 28 19.463 7.111 -2.457 1.00 0.36 H new ATOM 0 HB VAL A 28 18.822 7.918 0.413 1.00 0.37 H new ATOM 0 HG11 VAL A 28 19.078 10.228 -0.548 1.00 0.41 H new ATOM 0 HG12 VAL A 28 20.566 9.278 -0.773 1.00 0.41 H new ATOM 0 HG13 VAL A 28 19.446 9.515 -2.136 1.00 0.41 H new ATOM 0 HG21 VAL A 28 16.866 9.137 -0.564 1.00 0.38 H new ATOM 0 HG22 VAL A 28 17.245 8.454 -2.163 1.00 0.38 H new ATOM 0 HG23 VAL A 28 16.727 7.384 -0.839 1.00 0.38 H new ATOM 159 N GLY A 29 21.821 6.849 -1.693 1.00 0.35 N ATOM 160 CA GLY A 29 23.245 6.578 -1.286 1.00 0.39 C ATOM 161 C GLY A 29 23.684 5.160 -1.705 1.00 0.40 C ATOM 162 O GLY A 29 24.796 4.755 -1.432 1.00 0.45 O ATOM 0 H GLY A 29 21.711 7.241 -2.628 1.00 0.35 H new ATOM 0 HA2 GLY A 29 23.904 7.316 -1.744 1.00 0.39 H new ATOM 0 HA3 GLY A 29 23.345 6.688 -0.206 1.00 0.39 H new ATOM 166 N LYS A 30 22.810 4.433 -2.355 1.00 0.36 N ATOM 167 CA LYS A 30 23.131 3.027 -2.813 1.00 0.37 C ATOM 168 C LYS A 30 23.326 3.016 -4.337 1.00 0.41 C ATOM 169 O LYS A 30 23.302 4.067 -4.937 1.00 0.55 O ATOM 170 CB LYS A 30 21.960 2.078 -2.492 1.00 0.27 C ATOM 171 CG LYS A 30 21.442 2.188 -1.060 1.00 0.45 C ATOM 172 CD LYS A 30 22.457 1.646 -0.027 1.00 0.85 C ATOM 173 CE LYS A 30 21.854 1.816 1.377 1.00 1.85 C ATOM 174 NZ LYS A 30 20.593 1.002 1.439 1.00 1.98 N ATOM 0 H LYS A 30 21.871 4.751 -2.596 1.00 0.36 H new ATOM 0 HA LYS A 30 24.035 2.700 -2.299 1.00 0.37 H new ATOM 0 HB2 LYS A 30 21.140 2.284 -3.180 1.00 0.27 H new ATOM 0 HB3 LYS A 30 22.278 1.051 -2.674 1.00 0.27 H new ATOM 0 HG2 LYS A 30 21.220 3.231 -0.835 1.00 0.45 H new ATOM 0 HG3 LYS A 30 20.506 1.636 -0.971 1.00 0.45 H new ATOM 0 HD2 LYS A 30 22.674 0.596 -0.223 1.00 0.85 H new ATOM 0 HD3 LYS A 30 23.401 2.186 -0.103 1.00 0.85 H new ATOM 0 HE2 LYS A 30 22.560 1.484 2.138 1.00 1.85 H new ATOM 0 HE3 LYS A 30 21.641 2.866 1.576 1.00 1.85 H new ATOM 0 HZ1 LYS A 30 20.403 0.731 2.425 1.00 1.98 H new ATOM 0 HZ2 LYS A 30 19.798 1.565 1.075 1.00 1.98 H new ATOM 0 HZ3 LYS A 30 20.704 0.145 0.860 1.00 1.98 H new ATOM 188 N SER A 31 23.489 1.846 -4.909 1.00 0.35 N ATOM 189 CA SER A 31 23.678 1.712 -6.390 1.00 0.30 C ATOM 190 C SER A 31 22.264 1.673 -6.984 1.00 0.36 C ATOM 191 O SER A 31 21.289 1.324 -6.335 1.00 0.61 O ATOM 192 CB SER A 31 24.385 0.377 -6.756 1.00 0.32 C ATOM 193 OG SER A 31 23.445 -0.661 -6.445 1.00 0.42 O ATOM 0 H SER A 31 23.499 0.961 -4.402 1.00 0.35 H new ATOM 0 HA SER A 31 24.290 2.532 -6.767 1.00 0.30 H new ATOM 0 HB2 SER A 31 24.657 0.355 -7.811 1.00 0.32 H new ATOM 0 HB3 SER A 31 25.306 0.254 -6.187 1.00 0.32 H new ATOM 0 HG SER A 31 23.838 -1.533 -6.658 1.00 0.42 H new ATOM 199 N VAL A 32 22.168 2.034 -8.228 1.00 0.13 N ATOM 200 CA VAL A 32 20.821 2.003 -8.837 1.00 0.19 C ATOM 201 C VAL A 32 20.414 0.545 -9.012 1.00 0.27 C ATOM 202 O VAL A 32 19.328 0.182 -8.628 1.00 0.31 O ATOM 203 CB VAL A 32 20.886 2.774 -10.169 1.00 0.15 C ATOM 204 CG1 VAL A 32 21.639 1.984 -11.251 1.00 0.32 C ATOM 205 CG2 VAL A 32 19.450 3.024 -10.606 1.00 0.20 C ATOM 0 H VAL A 32 22.934 2.338 -8.829 1.00 0.13 H new ATOM 0 HA VAL A 32 20.067 2.482 -8.213 1.00 0.19 H new ATOM 0 HB VAL A 32 21.431 3.708 -10.030 1.00 0.15 H new ATOM 0 HG11 VAL A 32 21.662 2.563 -12.174 1.00 0.32 H new ATOM 0 HG12 VAL A 32 22.659 1.792 -10.918 1.00 0.32 H new ATOM 0 HG13 VAL A 32 21.131 1.036 -11.429 1.00 0.32 H new ATOM 0 HG21 VAL A 32 19.447 3.570 -11.549 1.00 0.20 H new ATOM 0 HG22 VAL A 32 18.938 2.071 -10.737 1.00 0.20 H new ATOM 0 HG23 VAL A 32 18.935 3.611 -9.845 1.00 0.20 H new ATOM 215 N GLU A 33 21.255 -0.269 -9.580 1.00 0.29 N ATOM 216 CA GLU A 33 20.892 -1.704 -9.755 1.00 0.36 C ATOM 217 C GLU A 33 20.347 -2.274 -8.439 1.00 0.34 C ATOM 218 O GLU A 33 19.307 -2.909 -8.446 1.00 0.31 O ATOM 219 CB GLU A 33 22.172 -2.405 -10.267 1.00 0.53 C ATOM 220 CG GLU A 33 22.384 -1.905 -11.742 1.00 0.23 C ATOM 221 CD GLU A 33 21.271 -2.491 -12.625 1.00 0.84 C ATOM 222 OE1 GLU A 33 21.508 -3.591 -13.089 1.00 2.22 O ATOM 223 OE2 GLU A 33 20.250 -1.826 -12.773 1.00 0.90 O ATOM 0 H GLU A 33 22.176 -0.006 -9.931 1.00 0.29 H new ATOM 0 HA GLU A 33 20.090 -1.859 -10.477 1.00 0.36 H new ATOM 0 HB2 GLU A 33 23.030 -2.153 -9.643 1.00 0.53 H new ATOM 0 HB3 GLU A 33 22.062 -3.489 -10.235 1.00 0.53 H new ATOM 0 HG2 GLU A 33 22.362 -0.816 -11.779 1.00 0.23 H new ATOM 0 HG3 GLU A 33 23.362 -2.216 -12.110 1.00 0.23 H new ATOM 230 N GLU A 34 20.996 -2.050 -7.317 1.00 0.38 N ATOM 231 CA GLU A 34 20.413 -2.624 -6.051 1.00 0.36 C ATOM 232 C GLU A 34 19.086 -1.879 -5.870 1.00 0.32 C ATOM 233 O GLU A 34 18.062 -2.498 -5.722 1.00 0.26 O ATOM 234 CB GLU A 34 21.324 -2.348 -4.828 1.00 0.48 C ATOM 235 CG GLU A 34 20.582 -2.705 -3.444 1.00 1.43 C ATOM 236 CD GLU A 34 20.508 -4.208 -3.109 1.00 1.94 C ATOM 237 OE1 GLU A 34 21.519 -4.866 -3.229 1.00 2.22 O ATOM 238 OE2 GLU A 34 19.450 -4.691 -2.733 1.00 2.84 O ATOM 0 H GLU A 34 21.863 -1.521 -7.219 1.00 0.38 H new ATOM 0 HA GLU A 34 20.300 -3.706 -6.121 1.00 0.36 H new ATOM 0 HB2 GLU A 34 22.238 -2.936 -4.914 1.00 0.48 H new ATOM 0 HB3 GLU A 34 21.620 -1.299 -4.823 1.00 0.48 H new ATOM 0 HG2 GLU A 34 21.097 -2.193 -2.631 1.00 1.43 H new ATOM 0 HG3 GLU A 34 19.568 -2.307 -3.480 1.00 1.43 H new ATOM 245 N ALA A 35 19.078 -0.578 -5.874 1.00 0.36 N ATOM 246 CA ALA A 35 17.776 0.123 -5.706 1.00 0.31 C ATOM 247 C ALA A 35 16.653 -0.527 -6.528 1.00 0.29 C ATOM 248 O ALA A 35 15.559 -0.740 -6.058 1.00 0.28 O ATOM 249 CB ALA A 35 17.987 1.562 -6.121 1.00 0.34 C ATOM 0 H ALA A 35 19.896 0.021 -5.984 1.00 0.36 H new ATOM 0 HA ALA A 35 17.457 0.058 -4.666 1.00 0.31 H new ATOM 0 HB1 ALA A 35 17.053 2.113 -6.012 1.00 0.34 H new ATOM 0 HB2 ALA A 35 18.751 2.015 -5.489 1.00 0.34 H new ATOM 0 HB3 ALA A 35 18.310 1.597 -7.161 1.00 0.34 H new ATOM 255 N LYS A 36 16.984 -0.846 -7.742 1.00 0.28 N ATOM 256 CA LYS A 36 16.011 -1.480 -8.674 1.00 0.24 C ATOM 257 C LYS A 36 15.624 -2.809 -8.057 1.00 0.22 C ATOM 258 O LYS A 36 14.460 -3.070 -7.842 1.00 0.21 O ATOM 259 CB LYS A 36 16.709 -1.641 -10.062 1.00 0.24 C ATOM 260 CG LYS A 36 16.956 -0.240 -10.697 1.00 0.36 C ATOM 261 CD LYS A 36 17.054 -0.457 -12.214 1.00 0.35 C ATOM 262 CE LYS A 36 17.209 0.836 -13.038 1.00 0.59 C ATOM 263 NZ LYS A 36 15.894 1.565 -13.030 1.00 2.91 N ATOM 0 H LYS A 36 17.910 -0.691 -8.140 1.00 0.28 H new ATOM 0 HA LYS A 36 15.109 -0.888 -8.828 1.00 0.24 H new ATOM 0 HB2 LYS A 36 17.656 -2.168 -9.944 1.00 0.24 H new ATOM 0 HB3 LYS A 36 16.088 -2.245 -10.723 1.00 0.24 H new ATOM 0 HG2 LYS A 36 16.142 0.444 -10.455 1.00 0.36 H new ATOM 0 HG3 LYS A 36 17.872 0.205 -10.309 1.00 0.36 H new ATOM 0 HD2 LYS A 36 17.903 -1.108 -12.421 1.00 0.35 H new ATOM 0 HD3 LYS A 36 16.160 -0.982 -12.551 1.00 0.35 H new ATOM 0 HE2 LYS A 36 17.993 1.464 -12.615 1.00 0.59 H new ATOM 0 HE3 LYS A 36 17.506 0.601 -14.060 1.00 0.59 H new ATOM 0 HZ1 LYS A 36 15.870 2.246 -13.816 1.00 2.91 H new ATOM 0 HZ2 LYS A 36 15.118 0.882 -13.140 1.00 2.91 H new ATOM 0 HZ3 LYS A 36 15.784 2.072 -12.129 1.00 2.91 H new ATOM 277 N LYS A 37 16.597 -3.620 -7.771 1.00 0.23 N ATOM 278 CA LYS A 37 16.314 -4.944 -7.159 1.00 0.20 C ATOM 279 C LYS A 37 15.416 -4.743 -5.935 1.00 0.21 C ATOM 280 O LYS A 37 14.471 -5.470 -5.717 1.00 0.24 O ATOM 281 CB LYS A 37 17.673 -5.591 -6.804 1.00 0.14 C ATOM 282 CG LYS A 37 18.158 -5.478 -5.360 1.00 1.41 C ATOM 283 CD LYS A 37 19.310 -6.532 -5.177 1.00 1.34 C ATOM 284 CE LYS A 37 18.811 -7.763 -4.420 1.00 1.64 C ATOM 285 NZ LYS A 37 18.692 -7.418 -2.965 1.00 2.63 N ATOM 0 H LYS A 37 17.584 -3.422 -7.936 1.00 0.23 H new ATOM 0 HA LYS A 37 15.782 -5.610 -7.839 1.00 0.20 H new ATOM 0 HB2 LYS A 37 17.616 -6.650 -7.057 1.00 0.14 H new ATOM 0 HB3 LYS A 37 18.433 -5.149 -7.449 1.00 0.14 H new ATOM 0 HG2 LYS A 37 18.520 -4.471 -5.153 1.00 1.41 H new ATOM 0 HG3 LYS A 37 17.343 -5.673 -4.663 1.00 1.41 H new ATOM 0 HD2 LYS A 37 19.693 -6.831 -6.153 1.00 1.34 H new ATOM 0 HD3 LYS A 37 20.140 -6.079 -4.635 1.00 1.34 H new ATOM 0 HE2 LYS A 37 17.846 -8.082 -4.813 1.00 1.64 H new ATOM 0 HE3 LYS A 37 19.501 -8.595 -4.556 1.00 1.64 H new ATOM 0 HZ1 LYS A 37 19.258 -8.085 -2.403 1.00 2.63 H new ATOM 0 HZ2 LYS A 37 19.040 -6.450 -2.808 1.00 2.63 H new ATOM 0 HZ3 LYS A 37 17.695 -7.479 -2.674 1.00 2.63 H new ATOM 299 N VAL A 38 15.730 -3.737 -5.167 1.00 0.21 N ATOM 300 CA VAL A 38 14.913 -3.449 -3.940 1.00 0.21 C ATOM 301 C VAL A 38 13.485 -3.128 -4.361 1.00 0.20 C ATOM 302 O VAL A 38 12.518 -3.690 -3.893 1.00 0.24 O ATOM 303 CB VAL A 38 15.534 -2.253 -3.178 1.00 0.26 C ATOM 304 CG1 VAL A 38 14.500 -1.727 -2.133 1.00 0.28 C ATOM 305 CG2 VAL A 38 16.798 -2.801 -2.470 1.00 0.27 C ATOM 0 H VAL A 38 16.511 -3.101 -5.329 1.00 0.21 H new ATOM 0 HA VAL A 38 14.905 -4.317 -3.281 1.00 0.21 H new ATOM 0 HB VAL A 38 15.793 -1.427 -3.841 1.00 0.26 H new ATOM 0 HG11 VAL A 38 14.928 -0.884 -1.590 1.00 0.28 H new ATOM 0 HG12 VAL A 38 13.594 -1.406 -2.647 1.00 0.28 H new ATOM 0 HG13 VAL A 38 14.255 -2.524 -1.431 1.00 0.28 H new ATOM 0 HG21 VAL A 38 17.281 -1.998 -1.914 1.00 0.27 H new ATOM 0 HG22 VAL A 38 16.514 -3.598 -1.783 1.00 0.27 H new ATOM 0 HG23 VAL A 38 17.491 -3.194 -3.214 1.00 0.27 H new ATOM 315 N ILE A 39 13.370 -2.204 -5.258 1.00 0.17 N ATOM 316 CA ILE A 39 12.028 -1.808 -5.750 1.00 0.23 C ATOM 317 C ILE A 39 11.340 -3.062 -6.263 1.00 0.24 C ATOM 318 O ILE A 39 10.186 -3.242 -5.952 1.00 0.37 O ATOM 319 CB ILE A 39 12.354 -0.731 -6.754 1.00 0.26 C ATOM 320 CG1 ILE A 39 12.727 0.436 -5.808 1.00 0.32 C ATOM 321 CG2 ILE A 39 11.121 -0.347 -7.598 1.00 0.31 C ATOM 322 CD1 ILE A 39 13.499 1.523 -6.459 1.00 0.39 C ATOM 0 H ILE A 39 14.152 -1.700 -5.677 1.00 0.17 H new ATOM 0 HA ILE A 39 11.314 -1.404 -5.032 1.00 0.23 H new ATOM 0 HB ILE A 39 13.120 -1.016 -7.476 1.00 0.26 H new ATOM 0 HG12 ILE A 39 11.813 0.856 -5.389 1.00 0.32 H new ATOM 0 HG13 ILE A 39 13.308 0.042 -4.974 1.00 0.32 H new ATOM 0 HG21 ILE A 39 11.395 0.432 -8.310 1.00 0.31 H new ATOM 0 HG22 ILE A 39 10.763 -1.223 -8.139 1.00 0.31 H new ATOM 0 HG23 ILE A 39 10.332 0.022 -6.943 1.00 0.31 H new ATOM 0 HD11 ILE A 39 13.720 2.301 -5.728 1.00 0.39 H new ATOM 0 HD12 ILE A 39 14.432 1.121 -6.854 1.00 0.39 H new ATOM 0 HD13 ILE A 39 12.913 1.947 -7.274 1.00 0.39 H new ATOM 334 N LEU A 40 12.001 -3.898 -7.014 1.00 0.12 N ATOM 335 CA LEU A 40 11.306 -5.131 -7.486 1.00 0.16 C ATOM 336 C LEU A 40 10.872 -5.904 -6.235 1.00 0.13 C ATOM 337 O LEU A 40 9.775 -6.417 -6.235 1.00 0.12 O ATOM 338 CB LEU A 40 12.254 -6.012 -8.333 1.00 0.24 C ATOM 339 CG LEU A 40 12.698 -5.293 -9.601 1.00 0.31 C ATOM 340 CD1 LEU A 40 13.461 -6.318 -10.436 1.00 0.40 C ATOM 341 CD2 LEU A 40 11.503 -4.781 -10.409 1.00 0.29 C ATOM 0 H LEU A 40 12.969 -3.788 -7.316 1.00 0.12 H new ATOM 0 HA LEU A 40 10.454 -4.866 -8.112 1.00 0.16 H new ATOM 0 HB2 LEU A 40 13.129 -6.281 -7.741 1.00 0.24 H new ATOM 0 HB3 LEU A 40 11.750 -6.941 -8.598 1.00 0.24 H new ATOM 0 HG LEU A 40 13.309 -4.429 -9.342 1.00 0.31 H new ATOM 0 HD11 LEU A 40 13.803 -5.852 -11.360 1.00 0.40 H new ATOM 0 HD12 LEU A 40 14.321 -6.679 -9.872 1.00 0.40 H new ATOM 0 HD13 LEU A 40 12.805 -7.155 -10.673 1.00 0.40 H new ATOM 0 HD21 LEU A 40 11.860 -4.274 -11.305 1.00 0.29 H new ATOM 0 HD22 LEU A 40 10.870 -5.621 -10.695 1.00 0.29 H new ATOM 0 HD23 LEU A 40 10.926 -4.082 -9.803 1.00 0.29 H new ATOM 353 N GLN A 41 11.697 -5.989 -5.217 1.00 0.18 N ATOM 354 CA GLN A 41 11.288 -6.733 -3.989 1.00 0.20 C ATOM 355 C GLN A 41 9.904 -6.204 -3.534 1.00 0.18 C ATOM 356 O GLN A 41 9.048 -6.978 -3.159 1.00 0.17 O ATOM 357 CB GLN A 41 12.367 -6.530 -2.873 1.00 0.31 C ATOM 358 CG GLN A 41 13.729 -7.228 -3.226 1.00 0.68 C ATOM 359 CD GLN A 41 14.870 -6.836 -2.263 1.00 0.49 C ATOM 360 OE1 GLN A 41 16.032 -7.099 -2.487 1.00 0.85 O ATOM 361 NE2 GLN A 41 14.629 -6.210 -1.158 1.00 0.38 N ATOM 0 H GLN A 41 12.630 -5.577 -5.186 1.00 0.18 H new ATOM 0 HA GLN A 41 11.211 -7.801 -4.192 1.00 0.20 H new ATOM 0 HB2 GLN A 41 12.536 -5.464 -2.724 1.00 0.31 H new ATOM 0 HB3 GLN A 41 11.991 -6.928 -1.931 1.00 0.31 H new ATOM 0 HG2 GLN A 41 13.595 -8.309 -3.202 1.00 0.68 H new ATOM 0 HG3 GLN A 41 14.013 -6.965 -4.245 1.00 0.68 H new ATOM 0 HE21 GLN A 41 13.671 -5.960 -0.912 1.00 0.38 H new ATOM 0 HE22 GLN A 41 15.397 -5.966 -0.532 1.00 0.38 H new ATOM 370 N ASP A 42 9.724 -4.911 -3.588 1.00 0.24 N ATOM 371 CA ASP A 42 8.423 -4.298 -3.175 1.00 0.36 C ATOM 372 C ASP A 42 7.296 -4.446 -4.216 1.00 0.37 C ATOM 373 O ASP A 42 6.191 -4.889 -3.954 1.00 0.44 O ATOM 374 CB ASP A 42 8.716 -2.811 -2.905 1.00 0.50 C ATOM 375 CG ASP A 42 8.842 -2.477 -1.445 1.00 0.98 C ATOM 376 OD1 ASP A 42 8.108 -3.057 -0.662 1.00 1.69 O ATOM 377 OD2 ASP A 42 9.671 -1.615 -1.243 1.00 0.99 O ATOM 0 H ASP A 42 10.429 -4.245 -3.904 1.00 0.24 H new ATOM 0 HA ASP A 42 8.050 -4.820 -2.294 1.00 0.36 H new ATOM 0 HB2 ASP A 42 9.639 -2.533 -3.413 1.00 0.50 H new ATOM 0 HB3 ASP A 42 7.919 -2.208 -3.340 1.00 0.50 H new ATOM 382 N LYS A 43 7.675 -4.046 -5.384 1.00 0.32 N ATOM 383 CA LYS A 43 6.841 -4.035 -6.585 1.00 0.32 C ATOM 384 C LYS A 43 7.530 -4.871 -7.699 1.00 0.24 C ATOM 385 O LYS A 43 8.094 -4.327 -8.626 1.00 0.24 O ATOM 386 CB LYS A 43 6.716 -2.547 -6.824 1.00 0.36 C ATOM 387 CG LYS A 43 5.770 -2.299 -7.961 1.00 0.43 C ATOM 388 CD LYS A 43 5.682 -0.751 -8.168 1.00 0.51 C ATOM 389 CE LYS A 43 5.262 -0.375 -9.577 1.00 0.67 C ATOM 390 NZ LYS A 43 4.381 -1.451 -10.094 1.00 1.12 N ATOM 0 H LYS A 43 8.618 -3.697 -5.557 1.00 0.32 H new ATOM 0 HA LYS A 43 5.856 -4.499 -6.528 1.00 0.32 H new ATOM 0 HB2 LYS A 43 6.355 -2.053 -5.922 1.00 0.36 H new ATOM 0 HB3 LYS A 43 7.693 -2.121 -7.051 1.00 0.36 H new ATOM 0 HG2 LYS A 43 6.124 -2.788 -8.868 1.00 0.43 H new ATOM 0 HG3 LYS A 43 4.786 -2.713 -7.739 1.00 0.43 H new ATOM 0 HD2 LYS A 43 4.970 -0.333 -7.457 1.00 0.51 H new ATOM 0 HD3 LYS A 43 6.651 -0.303 -7.950 1.00 0.51 H new ATOM 0 HE2 LYS A 43 4.737 0.580 -9.576 1.00 0.67 H new ATOM 0 HE3 LYS A 43 6.136 -0.258 -10.217 1.00 0.67 H new ATOM 0 HZ1 LYS A 43 4.713 -1.750 -11.033 1.00 1.12 H new ATOM 0 HZ2 LYS A 43 4.406 -2.262 -9.444 1.00 1.12 H new ATOM 0 HZ3 LYS A 43 3.406 -1.096 -10.168 1.00 1.12 H new ATOM 404 N PRO A 44 7.465 -6.179 -7.586 1.00 0.22 N ATOM 405 CA PRO A 44 8.193 -7.128 -8.496 1.00 0.31 C ATOM 406 C PRO A 44 7.943 -6.800 -9.964 1.00 0.40 C ATOM 407 O PRO A 44 8.805 -6.931 -10.809 1.00 0.43 O ATOM 408 CB PRO A 44 7.679 -8.506 -8.044 1.00 0.40 C ATOM 409 CG PRO A 44 7.399 -8.270 -6.541 1.00 0.25 C ATOM 410 CD PRO A 44 6.684 -6.918 -6.562 1.00 0.24 C ATOM 0 HA PRO A 44 9.279 -7.074 -8.426 1.00 0.31 H new ATOM 0 HB2 PRO A 44 6.780 -8.803 -8.584 1.00 0.40 H new ATOM 0 HB3 PRO A 44 8.420 -9.290 -8.203 1.00 0.40 H new ATOM 0 HG2 PRO A 44 6.775 -9.055 -6.113 1.00 0.25 H new ATOM 0 HG3 PRO A 44 8.317 -8.237 -5.955 1.00 0.25 H new ATOM 0 HD2 PRO A 44 5.634 -7.015 -6.839 1.00 0.24 H new ATOM 0 HD3 PRO A 44 6.713 -6.425 -5.590 1.00 0.24 H new ATOM 418 N GLU A 45 6.732 -6.359 -10.157 1.00 0.44 N ATOM 419 CA GLU A 45 6.175 -5.960 -11.482 1.00 0.49 C ATOM 420 C GLU A 45 6.454 -4.474 -11.783 1.00 0.37 C ATOM 421 O GLU A 45 5.802 -3.873 -12.612 1.00 0.46 O ATOM 422 CB GLU A 45 4.650 -6.246 -11.427 1.00 0.70 C ATOM 423 CG GLU A 45 4.389 -7.761 -11.166 1.00 1.97 C ATOM 424 CD GLU A 45 2.934 -8.035 -10.755 1.00 2.44 C ATOM 425 OE1 GLU A 45 2.059 -7.680 -11.525 1.00 2.51 O ATOM 426 OE2 GLU A 45 2.788 -8.594 -9.681 1.00 3.40 O ATOM 0 H GLU A 45 6.062 -6.253 -9.395 1.00 0.44 H new ATOM 0 HA GLU A 45 6.647 -6.525 -12.286 1.00 0.49 H new ATOM 0 HB2 GLU A 45 4.190 -5.650 -10.638 1.00 0.70 H new ATOM 0 HB3 GLU A 45 4.184 -5.947 -12.366 1.00 0.70 H new ATOM 0 HG2 GLU A 45 4.624 -8.329 -12.066 1.00 1.97 H new ATOM 0 HG3 GLU A 45 5.059 -8.114 -10.382 1.00 1.97 H new ATOM 433 N ALA A 46 7.402 -3.900 -11.099 1.00 0.45 N ATOM 434 CA ALA A 46 7.739 -2.478 -11.332 1.00 0.34 C ATOM 435 C ALA A 46 8.587 -2.166 -12.566 1.00 0.26 C ATOM 436 O ALA A 46 9.645 -2.721 -12.804 1.00 0.21 O ATOM 437 CB ALA A 46 8.493 -1.914 -10.108 1.00 0.24 C ATOM 0 H ALA A 46 7.961 -4.363 -10.382 1.00 0.45 H new ATOM 0 HA ALA A 46 6.769 -2.012 -11.503 1.00 0.34 H new ATOM 0 HB1 ALA A 46 8.739 -0.867 -10.283 1.00 0.24 H new ATOM 0 HB2 ALA A 46 7.862 -1.995 -9.223 1.00 0.24 H new ATOM 0 HB3 ALA A 46 9.411 -2.482 -9.953 1.00 0.24 H new ATOM 443 N GLN A 47 8.077 -1.228 -13.319 1.00 0.26 N ATOM 444 CA GLN A 47 8.785 -0.790 -14.554 1.00 0.24 C ATOM 445 C GLN A 47 9.673 0.305 -13.938 1.00 0.27 C ATOM 446 O GLN A 47 9.334 1.472 -13.880 1.00 0.27 O ATOM 447 CB GLN A 47 7.841 -0.142 -15.572 1.00 0.25 C ATOM 448 CG GLN A 47 6.571 -0.976 -15.844 1.00 1.07 C ATOM 449 CD GLN A 47 5.748 -0.367 -16.992 1.00 1.19 C ATOM 450 OE1 GLN A 47 4.624 -0.723 -17.255 1.00 2.09 O ATOM 451 NE2 GLN A 47 6.238 0.565 -17.746 1.00 0.56 N ATOM 0 H GLN A 47 7.198 -0.746 -13.130 1.00 0.26 H new ATOM 0 HA GLN A 47 9.278 -1.597 -15.096 1.00 0.24 H new ATOM 0 HB2 GLN A 47 7.549 0.844 -15.210 1.00 0.25 H new ATOM 0 HB3 GLN A 47 8.376 0.008 -16.509 1.00 0.25 H new ATOM 0 HG2 GLN A 47 6.850 -1.999 -16.095 1.00 1.07 H new ATOM 0 HG3 GLN A 47 5.963 -1.024 -14.941 1.00 1.07 H new ATOM 0 HE21 GLN A 47 7.182 0.912 -17.579 1.00 0.56 H new ATOM 0 HE22 GLN A 47 5.680 0.952 -18.507 1.00 0.56 H new ATOM 460 N ILE A 48 10.801 -0.152 -13.476 1.00 0.32 N ATOM 461 CA ILE A 48 11.825 0.728 -12.824 1.00 0.35 C ATOM 462 C ILE A 48 12.721 1.516 -13.816 1.00 0.52 C ATOM 463 O ILE A 48 13.719 1.067 -14.352 1.00 0.79 O ATOM 464 CB ILE A 48 12.738 -0.126 -11.912 1.00 0.42 C ATOM 465 CG1 ILE A 48 11.859 -1.102 -11.069 1.00 0.43 C ATOM 466 CG2 ILE A 48 13.413 0.842 -10.906 1.00 0.35 C ATOM 467 CD1 ILE A 48 12.701 -1.850 -10.043 1.00 0.49 C ATOM 0 H ILE A 48 11.070 -1.135 -13.523 1.00 0.32 H new ATOM 0 HA ILE A 48 11.258 1.466 -12.257 1.00 0.35 H new ATOM 0 HB ILE A 48 13.459 -0.679 -12.514 1.00 0.42 H new ATOM 0 HG12 ILE A 48 11.073 -0.543 -10.561 1.00 0.43 H new ATOM 0 HG13 ILE A 48 11.366 -1.815 -11.730 1.00 0.43 H new ATOM 0 HG21 ILE A 48 14.068 0.278 -10.242 1.00 0.35 H new ATOM 0 HG22 ILE A 48 13.999 1.582 -11.451 1.00 0.35 H new ATOM 0 HG23 ILE A 48 12.647 1.347 -10.317 1.00 0.35 H new ATOM 0 HD11 ILE A 48 12.063 -2.523 -9.470 1.00 0.49 H new ATOM 0 HD12 ILE A 48 13.470 -2.428 -10.555 1.00 0.49 H new ATOM 0 HD13 ILE A 48 13.173 -1.135 -9.369 1.00 0.49 H new ATOM 479 N ILE A 49 12.289 2.723 -13.979 1.00 0.46 N ATOM 480 CA ILE A 49 12.881 3.784 -14.857 1.00 0.51 C ATOM 481 C ILE A 49 13.951 4.631 -14.120 1.00 0.45 C ATOM 482 O ILE A 49 14.169 4.455 -12.942 1.00 0.75 O ATOM 483 CB ILE A 49 11.720 4.619 -15.290 1.00 0.55 C ATOM 484 CG1 ILE A 49 10.869 3.689 -16.182 1.00 0.59 C ATOM 485 CG2 ILE A 49 12.188 5.967 -15.957 1.00 0.67 C ATOM 486 CD1 ILE A 49 9.849 4.502 -16.855 1.00 0.47 C ATOM 0 H ILE A 49 11.460 3.057 -13.488 1.00 0.46 H new ATOM 0 HA ILE A 49 13.410 3.348 -15.704 1.00 0.51 H new ATOM 0 HB ILE A 49 11.110 4.975 -14.460 1.00 0.55 H new ATOM 0 HG12 ILE A 49 11.499 3.186 -16.916 1.00 0.59 H new ATOM 0 HG13 ILE A 49 10.398 2.912 -15.580 1.00 0.59 H new ATOM 0 HG21 ILE A 49 11.315 6.546 -16.258 1.00 0.67 H new ATOM 0 HG22 ILE A 49 12.776 6.542 -15.242 1.00 0.67 H new ATOM 0 HG23 ILE A 49 12.797 5.747 -16.833 1.00 0.67 H new ATOM 0 HD11 ILE A 49 9.236 3.863 -17.491 1.00 0.47 H new ATOM 0 HD12 ILE A 49 9.218 4.984 -16.109 1.00 0.47 H new ATOM 0 HD13 ILE A 49 10.335 5.263 -17.466 1.00 0.47 H new ATOM 498 N VAL A 50 14.604 5.520 -14.826 1.00 0.11 N ATOM 499 CA VAL A 50 15.648 6.430 -14.290 1.00 0.07 C ATOM 500 C VAL A 50 15.460 7.935 -14.728 1.00 0.34 C ATOM 501 O VAL A 50 14.840 8.244 -15.740 1.00 0.83 O ATOM 502 CB VAL A 50 17.029 5.889 -14.772 1.00 0.27 C ATOM 503 CG1 VAL A 50 18.161 6.649 -14.099 1.00 0.43 C ATOM 504 CG2 VAL A 50 17.198 4.404 -14.383 1.00 0.35 C ATOM 0 H VAL A 50 14.436 5.653 -15.823 1.00 0.11 H new ATOM 0 HA VAL A 50 15.575 6.437 -13.202 1.00 0.07 H new ATOM 0 HB VAL A 50 17.063 6.013 -15.854 1.00 0.27 H new ATOM 0 HG11 VAL A 50 19.118 6.259 -14.446 1.00 0.43 H new ATOM 0 HG12 VAL A 50 18.088 7.707 -14.349 1.00 0.43 H new ATOM 0 HG13 VAL A 50 18.090 6.526 -13.018 1.00 0.43 H new ATOM 0 HG21 VAL A 50 18.168 4.046 -14.728 1.00 0.35 H new ATOM 0 HG22 VAL A 50 17.138 4.303 -13.299 1.00 0.35 H new ATOM 0 HG23 VAL A 50 16.407 3.814 -14.846 1.00 0.35 H new ATOM 514 N LEU A 51 15.987 8.806 -13.907 1.00 0.03 N ATOM 515 CA LEU A 51 15.993 10.308 -14.063 1.00 0.20 C ATOM 516 C LEU A 51 17.158 10.758 -13.132 1.00 0.14 C ATOM 517 O LEU A 51 17.793 9.905 -12.532 1.00 0.15 O ATOM 518 CB LEU A 51 14.659 10.959 -13.548 1.00 0.36 C ATOM 519 CG LEU A 51 14.554 10.812 -11.990 1.00 0.43 C ATOM 520 CD1 LEU A 51 14.154 12.149 -11.392 1.00 0.68 C ATOM 521 CD2 LEU A 51 13.471 9.835 -11.615 1.00 0.37 C ATOM 0 H LEU A 51 16.459 8.510 -13.053 1.00 0.03 H new ATOM 0 HA LEU A 51 16.100 10.604 -15.107 1.00 0.20 H new ATOM 0 HB2 LEU A 51 14.629 12.013 -13.824 1.00 0.36 H new ATOM 0 HB3 LEU A 51 13.804 10.480 -14.025 1.00 0.36 H new ATOM 0 HG LEU A 51 15.520 10.468 -11.620 1.00 0.43 H new ATOM 0 HD11 LEU A 51 14.079 12.055 -10.309 1.00 0.68 H new ATOM 0 HD12 LEU A 51 14.906 12.898 -11.640 1.00 0.68 H new ATOM 0 HD13 LEU A 51 13.190 12.455 -11.797 1.00 0.68 H new ATOM 0 HD21 LEU A 51 13.418 9.750 -10.530 1.00 0.37 H new ATOM 0 HD22 LEU A 51 12.514 10.188 -11.999 1.00 0.37 H new ATOM 0 HD23 LEU A 51 13.697 8.859 -12.045 1.00 0.37 H new ATOM 533 N GLU A 52 17.440 12.025 -13.000 1.00 0.19 N ATOM 534 CA GLU A 52 18.559 12.381 -12.074 1.00 0.38 C ATOM 535 C GLU A 52 17.989 12.751 -10.694 1.00 0.36 C ATOM 536 O GLU A 52 17.508 11.967 -9.914 1.00 0.85 O ATOM 537 CB GLU A 52 19.385 13.551 -12.735 1.00 0.65 C ATOM 538 CG GLU A 52 20.331 13.011 -13.828 1.00 1.23 C ATOM 539 CD GLU A 52 21.594 13.902 -13.964 1.00 2.31 C ATOM 540 OE1 GLU A 52 21.568 15.044 -13.508 1.00 2.57 O ATOM 541 OE2 GLU A 52 22.551 13.388 -14.517 1.00 3.39 O ATOM 0 H GLU A 52 16.971 12.800 -13.468 1.00 0.19 H new ATOM 0 HA GLU A 52 19.232 11.539 -11.914 1.00 0.38 H new ATOM 0 HB2 GLU A 52 18.703 14.283 -13.168 1.00 0.65 H new ATOM 0 HB3 GLU A 52 19.965 14.069 -11.971 1.00 0.65 H new ATOM 0 HG2 GLU A 52 20.627 11.990 -13.585 1.00 1.23 H new ATOM 0 HG3 GLU A 52 19.805 12.972 -14.782 1.00 1.23 H new ATOM 548 N LYS A 53 18.084 13.995 -10.479 1.00 0.24 N ATOM 549 CA LYS A 53 17.668 14.765 -9.307 1.00 0.47 C ATOM 550 C LYS A 53 16.282 15.303 -9.630 1.00 0.81 C ATOM 551 O LYS A 53 15.503 14.757 -10.386 1.00 0.73 O ATOM 552 CB LYS A 53 18.750 15.865 -9.142 1.00 0.50 C ATOM 553 CG LYS A 53 18.718 16.824 -10.394 1.00 2.22 C ATOM 554 CD LYS A 53 20.151 17.418 -10.664 1.00 2.68 C ATOM 555 CE LYS A 53 20.156 18.394 -11.876 1.00 4.34 C ATOM 556 NZ LYS A 53 20.591 17.734 -13.164 1.00 5.40 N ATOM 0 H LYS A 53 18.500 14.604 -11.183 1.00 0.24 H new ATOM 0 HA LYS A 53 17.595 14.212 -8.371 1.00 0.47 H new ATOM 0 HB2 LYS A 53 18.570 16.434 -8.230 1.00 0.50 H new ATOM 0 HB3 LYS A 53 19.735 15.409 -9.044 1.00 0.50 H new ATOM 0 HG2 LYS A 53 18.373 16.277 -11.271 1.00 2.22 H new ATOM 0 HG3 LYS A 53 18.008 17.633 -10.223 1.00 2.22 H new ATOM 0 HD2 LYS A 53 20.500 17.942 -9.774 1.00 2.68 H new ATOM 0 HD3 LYS A 53 20.852 16.604 -10.850 1.00 2.68 H new ATOM 0 HE2 LYS A 53 19.156 18.808 -12.006 1.00 4.34 H new ATOM 0 HE3 LYS A 53 20.821 19.230 -11.660 1.00 4.34 H new ATOM 0 HZ1 LYS A 53 21.387 18.263 -13.573 1.00 5.40 H new ATOM 0 HZ2 LYS A 53 20.888 16.756 -12.970 1.00 5.40 H new ATOM 0 HZ3 LYS A 53 19.797 17.728 -13.836 1.00 5.40 H new ATOM 570 N GLN A 54 16.023 16.412 -9.026 1.00 1.25 N ATOM 571 CA GLN A 54 14.718 17.096 -9.239 1.00 1.60 C ATOM 572 C GLN A 54 14.948 17.848 -10.571 1.00 1.82 C ATOM 573 O GLN A 54 15.109 19.046 -10.650 1.00 2.38 O ATOM 574 CB GLN A 54 14.467 18.059 -8.068 1.00 1.96 C ATOM 575 CG GLN A 54 14.535 17.258 -6.744 1.00 0.92 C ATOM 576 CD GLN A 54 13.410 16.218 -6.604 1.00 1.73 C ATOM 577 OE1 GLN A 54 13.605 15.036 -6.780 1.00 2.52 O ATOM 578 NE2 GLN A 54 12.213 16.580 -6.288 1.00 2.39 N ATOM 0 H GLN A 54 16.660 16.886 -8.386 1.00 1.25 H new ATOM 0 HA GLN A 54 13.850 16.438 -9.283 1.00 1.60 H new ATOM 0 HB2 GLN A 54 15.212 18.855 -8.067 1.00 1.96 H new ATOM 0 HB3 GLN A 54 13.492 18.535 -8.172 1.00 1.96 H new ATOM 0 HG2 GLN A 54 15.498 16.752 -6.683 1.00 0.92 H new ATOM 0 HG3 GLN A 54 14.486 17.952 -5.905 1.00 0.92 H new ATOM 0 HE21 GLN A 54 12.003 17.566 -6.130 1.00 2.39 H new ATOM 0 HE22 GLN A 54 11.476 15.881 -6.196 1.00 2.39 H new ATOM 587 N ALA A 55 14.995 17.048 -11.601 1.00 1.50 N ATOM 588 CA ALA A 55 15.201 17.563 -12.998 1.00 1.87 C ATOM 589 C ALA A 55 13.848 17.747 -13.651 1.00 2.04 C ATOM 590 O ALA A 55 13.432 18.769 -14.152 1.00 2.82 O ATOM 591 CB ALA A 55 16.090 16.535 -13.733 1.00 1.57 C ATOM 0 H ALA A 55 14.898 16.035 -11.538 1.00 1.50 H new ATOM 0 HA ALA A 55 15.699 18.532 -13.022 1.00 1.87 H new ATOM 0 HB1 ALA A 55 16.265 16.871 -14.755 1.00 1.57 H new ATOM 0 HB2 ALA A 55 17.043 16.441 -13.213 1.00 1.57 H new ATOM 0 HB3 ALA A 55 15.589 15.567 -13.750 1.00 1.57 H new ATOM 597 N VAL A 56 13.235 16.635 -13.580 1.00 2.00 N ATOM 598 CA VAL A 56 11.858 16.408 -14.096 1.00 1.86 C ATOM 599 C VAL A 56 10.939 15.827 -12.990 1.00 1.53 C ATOM 600 O VAL A 56 11.027 14.691 -12.562 1.00 2.71 O ATOM 601 CB VAL A 56 11.987 15.491 -15.312 1.00 3.41 C ATOM 602 CG1 VAL A 56 12.190 13.980 -14.996 1.00 3.93 C ATOM 603 CG2 VAL A 56 10.673 15.740 -16.085 1.00 3.54 C ATOM 0 H VAL A 56 13.649 15.804 -13.157 1.00 2.00 H new ATOM 0 HA VAL A 56 11.384 17.342 -14.396 1.00 1.86 H new ATOM 0 HB VAL A 56 12.892 15.726 -15.872 1.00 3.41 H new ATOM 0 HG11 VAL A 56 12.269 13.421 -15.928 1.00 3.93 H new ATOM 0 HG12 VAL A 56 13.103 13.849 -14.415 1.00 3.93 H new ATOM 0 HG13 VAL A 56 11.340 13.611 -14.423 1.00 3.93 H new ATOM 0 HG21 VAL A 56 10.659 15.126 -16.986 1.00 3.54 H new ATOM 0 HG22 VAL A 56 9.824 15.478 -15.454 1.00 3.54 H new ATOM 0 HG23 VAL A 56 10.608 16.792 -16.362 1.00 3.54 H new ATOM 613 N ASP A 57 10.077 16.698 -12.560 1.00 1.05 N ATOM 614 CA ASP A 57 9.085 16.379 -11.482 1.00 2.48 C ATOM 615 C ASP A 57 7.650 16.934 -11.676 1.00 2.75 C ATOM 616 O ASP A 57 6.851 17.030 -10.763 1.00 3.87 O ATOM 617 CB ASP A 57 9.772 16.912 -10.189 1.00 3.60 C ATOM 618 CG ASP A 57 10.277 18.348 -10.422 1.00 3.03 C ATOM 619 OD1 ASP A 57 9.575 19.104 -11.089 1.00 2.46 O ATOM 620 OD2 ASP A 57 11.357 18.578 -9.901 1.00 3.70 O ATOM 0 H ASP A 57 10.011 17.651 -12.918 1.00 1.05 H new ATOM 0 HA ASP A 57 8.877 15.309 -11.465 1.00 2.48 H new ATOM 0 HB2 ASP A 57 9.067 16.895 -9.358 1.00 3.60 H new ATOM 0 HB3 ASP A 57 10.604 16.264 -9.915 1.00 3.60 H new ATOM 625 N ASN A 58 7.375 17.268 -12.896 1.00 1.94 N ATOM 626 CA ASN A 58 6.026 17.839 -13.244 1.00 2.56 C ATOM 627 C ASN A 58 5.282 17.374 -14.504 1.00 2.20 C ATOM 628 O ASN A 58 4.181 16.865 -14.470 1.00 2.78 O ATOM 629 CB ASN A 58 6.266 19.388 -13.218 1.00 3.03 C ATOM 630 CG ASN A 58 7.426 19.752 -14.140 1.00 2.53 C ATOM 631 OD1 ASN A 58 7.270 19.869 -15.335 1.00 2.80 O ATOM 632 ND2 ASN A 58 8.617 19.934 -13.667 1.00 2.69 N ATOM 0 H ASN A 58 8.020 17.175 -13.681 1.00 1.94 H new ATOM 0 HA ASN A 58 5.311 17.451 -12.518 1.00 2.56 H new ATOM 0 HB2 ASN A 58 5.362 19.910 -13.534 1.00 3.03 H new ATOM 0 HB3 ASN A 58 6.483 19.714 -12.201 1.00 3.03 H new ATOM 0 HD21 ASN A 58 9.385 20.168 -14.296 1.00 2.69 H new ATOM 0 HD22 ASN A 58 8.787 19.844 -12.665 1.00 2.69 H new ATOM 639 N ALA A 59 5.963 17.580 -15.578 1.00 1.41 N ATOM 640 CA ALA A 59 5.496 17.241 -16.951 1.00 1.23 C ATOM 641 C ALA A 59 4.631 15.969 -17.109 1.00 1.37 C ATOM 642 O ALA A 59 3.420 16.018 -17.194 1.00 2.43 O ATOM 643 CB ALA A 59 6.810 17.209 -17.711 1.00 0.95 C ATOM 0 H ALA A 59 6.893 18.000 -15.565 1.00 1.41 H new ATOM 0 HA ALA A 59 4.770 17.963 -17.325 1.00 1.23 H new ATOM 0 HB1 ALA A 59 6.620 16.967 -18.757 1.00 0.95 H new ATOM 0 HB2 ALA A 59 7.292 18.185 -17.646 1.00 0.95 H new ATOM 0 HB3 ALA A 59 7.463 16.452 -17.277 1.00 0.95 H new ATOM 649 N TYR A 60 5.297 14.869 -17.134 1.00 0.59 N ATOM 650 CA TYR A 60 4.611 13.561 -17.278 1.00 0.63 C ATOM 651 C TYR A 60 4.050 13.105 -15.914 1.00 1.37 C ATOM 652 O TYR A 60 4.485 12.131 -15.335 1.00 2.23 O ATOM 653 CB TYR A 60 5.673 12.610 -17.851 1.00 0.47 C ATOM 654 CG TYR A 60 6.722 12.221 -16.790 1.00 1.02 C ATOM 655 CD1 TYR A 60 7.027 13.000 -15.674 1.00 2.30 C ATOM 656 CD2 TYR A 60 7.377 11.027 -16.972 1.00 1.07 C ATOM 657 CE1 TYR A 60 7.975 12.570 -14.781 1.00 2.96 C ATOM 658 CE2 TYR A 60 8.320 10.600 -16.073 1.00 1.62 C ATOM 659 CZ TYR A 60 8.617 11.379 -14.979 1.00 2.46 C ATOM 660 OH TYR A 60 9.573 10.987 -14.075 1.00 3.24 O ATOM 0 H TYR A 60 6.313 14.811 -17.059 1.00 0.59 H new ATOM 0 HA TYR A 60 3.747 13.597 -17.942 1.00 0.63 H new ATOM 0 HB2 TYR A 60 5.189 11.710 -18.231 1.00 0.47 H new ATOM 0 HB3 TYR A 60 6.170 13.086 -18.696 1.00 0.47 H new ATOM 0 HD1 TYR A 60 6.518 13.939 -15.514 1.00 2.30 H new ATOM 0 HD2 TYR A 60 7.146 10.418 -17.833 1.00 1.07 H new ATOM 0 HE1 TYR A 60 8.215 13.174 -13.919 1.00 2.96 H new ATOM 0 HE2 TYR A 60 8.826 9.658 -16.223 1.00 1.62 H new ATOM 0 HH TYR A 60 9.161 10.423 -13.388 1.00 3.24 H new ATOM 670 N ALA A 61 3.089 13.797 -15.391 1.00 2.64 N ATOM 671 CA ALA A 61 2.544 13.349 -14.071 1.00 3.39 C ATOM 672 C ALA A 61 1.504 12.240 -14.397 1.00 1.65 C ATOM 673 O ALA A 61 0.313 12.367 -14.184 1.00 2.17 O ATOM 674 CB ALA A 61 1.991 14.620 -13.451 1.00 5.54 C ATOM 0 H ALA A 61 2.661 14.629 -15.797 1.00 2.64 H new ATOM 0 HA ALA A 61 3.241 12.908 -13.359 1.00 3.39 H new ATOM 0 HB1 ALA A 61 1.566 14.393 -12.473 1.00 5.54 H new ATOM 0 HB2 ALA A 61 2.794 15.349 -13.338 1.00 5.54 H new ATOM 0 HB3 ALA A 61 1.215 15.032 -14.097 1.00 5.54 H new ATOM 680 N GLU A 62 2.070 11.173 -14.909 1.00 1.54 N ATOM 681 CA GLU A 62 1.362 9.935 -15.349 1.00 1.64 C ATOM 682 C GLU A 62 1.374 8.779 -14.304 1.00 1.25 C ATOM 683 O GLU A 62 2.006 7.751 -14.476 1.00 1.34 O ATOM 684 CB GLU A 62 2.052 9.533 -16.719 1.00 3.68 C ATOM 685 CG GLU A 62 3.623 9.278 -16.545 1.00 5.16 C ATOM 686 CD GLU A 62 4.290 8.533 -17.724 1.00 6.06 C ATOM 687 OE1 GLU A 62 3.686 7.605 -18.240 1.00 6.03 O ATOM 688 OE2 GLU A 62 5.417 8.909 -18.036 1.00 6.87 O ATOM 0 H GLU A 62 3.079 11.114 -15.048 1.00 1.54 H new ATOM 0 HA GLU A 62 0.296 10.128 -15.467 1.00 1.64 H new ATOM 0 HB2 GLU A 62 1.580 8.633 -17.113 1.00 3.68 H new ATOM 0 HB3 GLU A 62 1.892 10.324 -17.452 1.00 3.68 H new ATOM 0 HG2 GLU A 62 4.121 10.238 -16.411 1.00 5.16 H new ATOM 0 HG3 GLU A 62 3.786 8.705 -15.632 1.00 5.16 H new ATOM 695 N TYR A 63 0.660 8.977 -13.221 1.00 0.94 N ATOM 696 CA TYR A 63 0.617 7.909 -12.170 1.00 0.72 C ATOM 697 C TYR A 63 0.249 6.498 -12.679 1.00 0.71 C ATOM 698 O TYR A 63 -0.898 6.133 -12.881 1.00 0.66 O ATOM 699 CB TYR A 63 -0.386 8.267 -11.025 1.00 0.75 C ATOM 700 CG TYR A 63 -0.294 7.053 -10.060 1.00 0.76 C ATOM 701 CD1 TYR A 63 0.792 6.926 -9.224 1.00 0.81 C ATOM 702 CD2 TYR A 63 -1.252 6.052 -10.051 1.00 2.13 C ATOM 703 CE1 TYR A 63 0.930 5.825 -8.397 1.00 0.67 C ATOM 704 CE2 TYR A 63 -1.119 4.951 -9.221 1.00 2.22 C ATOM 705 CZ TYR A 63 -0.035 4.838 -8.393 1.00 0.87 C ATOM 706 OH TYR A 63 0.043 3.748 -7.553 1.00 1.01 O ATOM 0 H TYR A 63 0.114 9.815 -13.021 1.00 0.94 H new ATOM 0 HA TYR A 63 1.645 7.875 -11.809 1.00 0.72 H new ATOM 0 HB2 TYR A 63 -0.109 9.196 -10.527 1.00 0.75 H new ATOM 0 HB3 TYR A 63 -1.398 8.399 -11.407 1.00 0.75 H new ATOM 0 HD1 TYR A 63 1.548 7.697 -9.213 1.00 0.81 H new ATOM 0 HD2 TYR A 63 -2.113 6.131 -10.699 1.00 2.13 H new ATOM 0 HE1 TYR A 63 1.793 5.738 -7.754 1.00 0.67 H new ATOM 0 HE2 TYR A 63 -1.874 4.179 -9.227 1.00 2.22 H new ATOM 0 HH TYR A 63 -0.743 3.729 -6.967 1.00 1.01 H new ATOM 716 N ARG A 64 1.298 5.765 -12.875 1.00 0.76 N ATOM 717 CA ARG A 64 1.195 4.364 -13.351 1.00 0.78 C ATOM 718 C ARG A 64 1.601 3.532 -12.132 1.00 0.60 C ATOM 719 O ARG A 64 2.771 3.374 -11.865 1.00 0.43 O ATOM 720 CB ARG A 64 2.174 4.116 -14.542 1.00 0.82 C ATOM 721 CG ARG A 64 1.500 4.473 -15.902 1.00 1.18 C ATOM 722 CD ARG A 64 2.308 3.786 -16.999 1.00 1.97 C ATOM 723 NE ARG A 64 2.064 2.316 -16.823 1.00 2.83 N ATOM 724 CZ ARG A 64 1.768 1.492 -17.754 1.00 3.77 C ATOM 725 NH1 ARG A 64 0.869 1.829 -18.587 1.00 3.84 N ATOM 726 NH2 ARG A 64 2.389 0.382 -17.781 1.00 4.99 N ATOM 0 H ARG A 64 2.253 6.087 -12.721 1.00 0.76 H new ATOM 0 HA ARG A 64 0.200 4.113 -13.718 1.00 0.78 H new ATOM 0 HB2 ARG A 64 3.074 4.717 -14.409 1.00 0.82 H new ATOM 0 HB3 ARG A 64 2.486 3.072 -14.550 1.00 0.82 H new ATOM 0 HG2 ARG A 64 0.464 4.135 -15.918 1.00 1.18 H new ATOM 0 HG3 ARG A 64 1.486 5.552 -16.053 1.00 1.18 H new ATOM 0 HD2 ARG A 64 1.990 4.120 -17.987 1.00 1.97 H new ATOM 0 HD3 ARG A 64 3.369 4.020 -16.909 1.00 1.97 H new ATOM 0 HE ARG A 64 2.141 1.942 -15.877 1.00 2.83 H new ATOM 0 HH11 ARG A 64 0.407 2.734 -18.501 1.00 3.84 H new ATOM 0 HH12 ARG A 64 0.609 1.194 -19.342 1.00 3.84 H new ATOM 0 HH21 ARG A 64 3.095 0.176 -17.075 1.00 4.99 H new ATOM 0 HH22 ARG A 64 2.180 -0.302 -18.509 1.00 4.99 H new ATOM 740 N ILE A 65 0.653 3.018 -11.398 1.00 0.69 N ATOM 741 CA ILE A 65 0.975 2.188 -10.182 1.00 0.54 C ATOM 742 C ILE A 65 1.945 1.001 -10.480 1.00 0.51 C ATOM 743 O ILE A 65 2.484 0.345 -9.609 1.00 0.43 O ATOM 744 CB ILE A 65 -0.360 1.676 -9.585 1.00 0.53 C ATOM 745 CG1 ILE A 65 -0.154 0.784 -8.352 1.00 0.37 C ATOM 746 CG2 ILE A 65 -1.251 1.065 -10.643 1.00 0.69 C ATOM 747 CD1 ILE A 65 -1.483 0.784 -7.555 1.00 0.42 C ATOM 0 H ILE A 65 -0.343 3.134 -11.583 1.00 0.69 H new ATOM 0 HA ILE A 65 1.505 2.818 -9.467 1.00 0.54 H new ATOM 0 HB ILE A 65 -0.900 2.545 -9.210 1.00 0.53 H new ATOM 0 HG12 ILE A 65 0.114 -0.229 -8.651 1.00 0.37 H new ATOM 0 HG13 ILE A 65 0.663 1.162 -7.737 1.00 0.37 H new ATOM 0 HG21 ILE A 65 -2.177 0.718 -10.183 1.00 0.69 H new ATOM 0 HG22 ILE A 65 -1.481 1.813 -11.402 1.00 0.69 H new ATOM 0 HG23 ILE A 65 -0.739 0.222 -11.108 1.00 0.69 H new ATOM 0 HD11 ILE A 65 -1.376 0.159 -6.669 1.00 0.42 H new ATOM 0 HD12 ILE A 65 -1.726 1.803 -7.253 1.00 0.42 H new ATOM 0 HD13 ILE A 65 -2.283 0.390 -8.182 1.00 0.42 H new ATOM 759 N ASP A 66 2.140 0.767 -11.746 1.00 0.60 N ATOM 760 CA ASP A 66 3.023 -0.304 -12.292 1.00 0.61 C ATOM 761 C ASP A 66 4.496 0.192 -12.531 1.00 0.59 C ATOM 762 O ASP A 66 5.431 -0.589 -12.535 1.00 0.58 O ATOM 763 CB ASP A 66 2.349 -0.764 -13.561 1.00 0.69 C ATOM 764 CG ASP A 66 2.279 0.415 -14.473 1.00 0.71 C ATOM 765 OD1 ASP A 66 1.310 1.148 -14.413 1.00 0.55 O ATOM 766 OD2 ASP A 66 3.242 0.545 -15.198 1.00 2.24 O ATOM 0 H ASP A 66 1.688 1.317 -12.476 1.00 0.60 H new ATOM 0 HA ASP A 66 3.138 -1.126 -11.585 1.00 0.61 H new ATOM 0 HB2 ASP A 66 2.911 -1.576 -14.023 1.00 0.69 H new ATOM 0 HB3 ASP A 66 1.351 -1.147 -13.350 1.00 0.69 H new ATOM 771 N ARG A 67 4.661 1.482 -12.690 1.00 0.59 N ATOM 772 CA ARG A 67 6.018 2.122 -12.940 1.00 0.57 C ATOM 773 C ARG A 67 6.678 2.733 -11.677 1.00 0.52 C ATOM 774 O ARG A 67 6.009 2.964 -10.693 1.00 0.61 O ATOM 775 CB ARG A 67 5.873 3.269 -13.990 1.00 0.55 C ATOM 776 CG ARG A 67 5.486 2.752 -15.394 1.00 1.79 C ATOM 777 CD ARG A 67 6.070 3.666 -16.515 1.00 1.57 C ATOM 778 NE ARG A 67 5.360 4.985 -16.463 1.00 1.53 N ATOM 779 CZ ARG A 67 5.791 6.110 -16.886 1.00 1.29 C ATOM 780 NH1 ARG A 67 6.215 6.245 -18.079 1.00 1.90 N ATOM 781 NH2 ARG A 67 5.762 7.093 -16.080 1.00 0.88 N ATOM 0 H ARG A 67 3.892 2.151 -12.658 1.00 0.59 H new ATOM 0 HA ARG A 67 6.658 1.312 -13.291 1.00 0.57 H new ATOM 0 HB2 ARG A 67 5.117 3.975 -13.647 1.00 0.55 H new ATOM 0 HB3 ARG A 67 6.814 3.816 -14.056 1.00 0.55 H new ATOM 0 HG2 ARG A 67 5.854 1.734 -15.523 1.00 1.79 H new ATOM 0 HG3 ARG A 67 4.400 2.712 -15.483 1.00 1.79 H new ATOM 0 HD2 ARG A 67 7.141 3.805 -16.372 1.00 1.57 H new ATOM 0 HD3 ARG A 67 5.937 3.201 -17.492 1.00 1.57 H new ATOM 0 HE ARG A 67 4.430 4.984 -16.044 1.00 1.53 H new ATOM 0 HH11 ARG A 67 6.214 5.447 -18.714 1.00 1.90 H new ATOM 0 HH12 ARG A 67 6.556 7.151 -18.400 1.00 1.90 H new ATOM 0 HH21 ARG A 67 5.403 6.966 -15.134 1.00 0.88 H new ATOM 0 HH22 ARG A 67 6.097 8.008 -16.380 1.00 0.88 H new ATOM 795 N VAL A 68 7.975 2.933 -11.760 1.00 0.44 N ATOM 796 CA VAL A 68 8.791 3.542 -10.638 1.00 0.42 C ATOM 797 C VAL A 68 9.981 4.239 -11.268 1.00 0.43 C ATOM 798 O VAL A 68 10.619 3.604 -12.076 1.00 0.55 O ATOM 799 CB VAL A 68 9.409 2.487 -9.641 1.00 0.36 C ATOM 800 CG1 VAL A 68 10.278 3.224 -8.534 1.00 0.36 C ATOM 801 CG2 VAL A 68 8.312 1.701 -8.931 1.00 0.37 C ATOM 0 H VAL A 68 8.526 2.693 -12.584 1.00 0.44 H new ATOM 0 HA VAL A 68 8.114 4.190 -10.082 1.00 0.42 H new ATOM 0 HB VAL A 68 10.030 1.808 -10.225 1.00 0.36 H new ATOM 0 HG11 VAL A 68 10.700 2.486 -7.851 1.00 0.36 H new ATOM 0 HG12 VAL A 68 11.085 3.777 -9.014 1.00 0.36 H new ATOM 0 HG13 VAL A 68 9.646 3.915 -7.976 1.00 0.36 H new ATOM 0 HG21 VAL A 68 8.764 0.980 -8.249 1.00 0.37 H new ATOM 0 HG22 VAL A 68 7.680 2.387 -8.367 1.00 0.37 H new ATOM 0 HG23 VAL A 68 7.707 1.173 -9.668 1.00 0.37 H new ATOM 811 N ARG A 69 10.273 5.463 -10.935 1.00 0.44 N ATOM 812 CA ARG A 69 11.449 6.134 -11.536 1.00 0.63 C ATOM 813 C ARG A 69 12.554 6.210 -10.503 1.00 0.44 C ATOM 814 O ARG A 69 12.313 6.311 -9.310 1.00 0.38 O ATOM 815 CB ARG A 69 11.071 7.550 -12.017 1.00 0.91 C ATOM 816 CG ARG A 69 11.509 7.577 -13.471 1.00 2.18 C ATOM 817 CD ARG A 69 11.272 8.914 -14.075 1.00 2.57 C ATOM 818 NE ARG A 69 12.291 9.154 -15.189 1.00 3.32 N ATOM 819 CZ ARG A 69 12.001 9.650 -16.335 1.00 3.88 C ATOM 820 NH1 ARG A 69 11.081 10.507 -16.366 1.00 3.39 N ATOM 821 NH2 ARG A 69 12.632 9.298 -17.387 1.00 5.03 N ATOM 0 H ARG A 69 9.744 6.027 -10.270 1.00 0.44 H new ATOM 0 HA ARG A 69 11.793 5.562 -12.398 1.00 0.63 H new ATOM 0 HB2 ARG A 69 10.001 7.731 -11.920 1.00 0.91 H new ATOM 0 HB3 ARG A 69 11.579 8.318 -11.433 1.00 0.91 H new ATOM 0 HG2 ARG A 69 12.567 7.325 -13.540 1.00 2.18 H new ATOM 0 HG3 ARG A 69 10.964 6.819 -14.033 1.00 2.18 H new ATOM 0 HD2 ARG A 69 10.259 8.971 -14.474 1.00 2.57 H new ATOM 0 HD3 ARG A 69 11.358 9.690 -13.314 1.00 2.57 H new ATOM 0 HE ARG A 69 13.263 8.904 -15.009 1.00 3.32 H new ATOM 0 HH11 ARG A 69 10.605 10.776 -15.505 1.00 3.39 H new ATOM 0 HH12 ARG A 69 10.811 10.933 -17.252 1.00 3.39 H new ATOM 0 HH21 ARG A 69 13.383 8.610 -17.325 1.00 5.03 H new ATOM 0 HH22 ARG A 69 12.386 9.705 -18.289 1.00 5.03 H new ATOM 835 N LEU A 70 13.750 6.173 -11.023 1.00 0.39 N ATOM 836 CA LEU A 70 14.905 6.234 -10.071 1.00 0.24 C ATOM 837 C LEU A 70 15.708 7.520 -10.287 1.00 0.24 C ATOM 838 O LEU A 70 15.988 7.842 -11.424 1.00 0.31 O ATOM 839 CB LEU A 70 15.728 4.958 -10.325 1.00 0.27 C ATOM 840 CG LEU A 70 15.623 4.071 -9.061 1.00 0.21 C ATOM 841 CD1 LEU A 70 16.030 2.646 -9.328 1.00 0.32 C ATOM 842 CD2 LEU A 70 16.609 4.591 -8.088 1.00 0.20 C ATOM 0 H LEU A 70 13.977 6.107 -12.015 1.00 0.39 H new ATOM 0 HA LEU A 70 14.586 6.267 -9.029 1.00 0.24 H new ATOM 0 HB2 LEU A 70 15.349 4.426 -11.198 1.00 0.27 H new ATOM 0 HB3 LEU A 70 16.769 5.209 -10.531 1.00 0.27 H new ATOM 0 HG LEU A 70 14.590 4.093 -8.715 1.00 0.21 H new ATOM 0 HD11 LEU A 70 15.939 2.064 -8.411 1.00 0.32 H new ATOM 0 HD12 LEU A 70 15.382 2.220 -10.094 1.00 0.32 H new ATOM 0 HD13 LEU A 70 17.064 2.621 -9.673 1.00 0.32 H new ATOM 0 HD21 LEU A 70 16.571 3.994 -7.177 1.00 0.20 H new ATOM 0 HD22 LEU A 70 17.609 4.534 -8.518 1.00 0.20 H new ATOM 0 HD23 LEU A 70 16.374 5.629 -7.852 1.00 0.20 H new ATOM 854 N ALA A 71 16.040 8.162 -9.196 1.00 0.19 N ATOM 855 CA ALA A 71 16.814 9.435 -9.197 1.00 0.15 C ATOM 856 C ALA A 71 18.299 9.198 -8.853 1.00 0.11 C ATOM 857 O ALA A 71 18.718 9.209 -7.709 1.00 0.13 O ATOM 858 CB ALA A 71 16.078 10.325 -8.190 1.00 0.23 C ATOM 0 H ALA A 71 15.792 7.836 -8.262 1.00 0.19 H new ATOM 0 HA ALA A 71 16.855 9.910 -10.177 1.00 0.15 H new ATOM 0 HB1 ALA A 71 16.579 11.290 -8.123 1.00 0.23 H new ATOM 0 HB2 ALA A 71 15.049 10.472 -8.519 1.00 0.23 H new ATOM 0 HB3 ALA A 71 16.081 9.846 -7.211 1.00 0.23 H new ATOM 864 N VAL A 72 19.063 9.002 -9.888 1.00 0.11 N ATOM 865 CA VAL A 72 20.535 8.735 -9.739 1.00 0.18 C ATOM 866 C VAL A 72 21.436 9.871 -10.234 1.00 0.23 C ATOM 867 O VAL A 72 20.971 10.803 -10.853 1.00 0.21 O ATOM 868 CB VAL A 72 20.889 7.483 -10.529 1.00 0.10 C ATOM 869 CG1 VAL A 72 20.200 6.313 -9.908 1.00 0.09 C ATOM 870 CG2 VAL A 72 20.350 7.598 -11.940 1.00 0.12 C ATOM 0 H VAL A 72 18.731 9.014 -10.852 1.00 0.11 H new ATOM 0 HA VAL A 72 20.715 8.625 -8.670 1.00 0.18 H new ATOM 0 HB VAL A 72 21.973 7.364 -10.533 1.00 0.10 H new ATOM 0 HG11 VAL A 72 20.445 5.409 -10.465 1.00 0.09 H new ATOM 0 HG12 VAL A 72 20.529 6.203 -8.875 1.00 0.09 H new ATOM 0 HG13 VAL A 72 19.122 6.472 -9.931 1.00 0.09 H new ATOM 0 HG21 VAL A 72 20.606 6.700 -12.502 1.00 0.12 H new ATOM 0 HG22 VAL A 72 19.266 7.709 -11.908 1.00 0.12 H new ATOM 0 HG23 VAL A 72 20.790 8.468 -12.428 1.00 0.12 H new ATOM 880 N ASP A 73 22.705 9.787 -9.971 1.00 0.32 N ATOM 881 CA ASP A 73 23.626 10.865 -10.436 1.00 0.38 C ATOM 882 C ASP A 73 24.409 10.361 -11.676 1.00 0.38 C ATOM 883 O ASP A 73 23.874 9.748 -12.577 1.00 0.43 O ATOM 884 CB ASP A 73 24.539 11.182 -9.243 1.00 0.39 C ATOM 885 CG ASP A 73 25.508 10.027 -9.046 1.00 0.45 C ATOM 886 OD1 ASP A 73 25.029 8.918 -8.851 1.00 0.97 O ATOM 887 OD2 ASP A 73 26.674 10.370 -9.137 1.00 1.35 O ATOM 0 H ASP A 73 23.147 9.025 -9.457 1.00 0.32 H new ATOM 0 HA ASP A 73 23.106 11.771 -10.747 1.00 0.38 H new ATOM 0 HB2 ASP A 73 25.086 12.107 -9.422 1.00 0.39 H new ATOM 0 HB3 ASP A 73 23.944 11.333 -8.342 1.00 0.39 H new ATOM 892 N LYS A 74 25.671 10.675 -11.680 1.00 0.40 N ATOM 893 CA LYS A 74 26.629 10.316 -12.731 1.00 0.42 C ATOM 894 C LYS A 74 27.206 8.916 -12.535 1.00 0.44 C ATOM 895 O LYS A 74 27.708 8.325 -13.465 1.00 0.53 O ATOM 896 CB LYS A 74 27.767 11.364 -12.724 1.00 0.55 C ATOM 897 CG LYS A 74 27.195 12.740 -13.075 1.00 0.70 C ATOM 898 CD LYS A 74 26.655 13.514 -11.830 1.00 0.40 C ATOM 899 CE LYS A 74 25.490 14.394 -12.256 1.00 0.75 C ATOM 900 NZ LYS A 74 24.449 13.487 -12.826 1.00 1.73 N ATOM 0 H LYS A 74 26.098 11.212 -10.925 1.00 0.40 H new ATOM 0 HA LYS A 74 26.110 10.310 -13.689 1.00 0.42 H new ATOM 0 HB2 LYS A 74 28.241 11.395 -11.743 1.00 0.55 H new ATOM 0 HB3 LYS A 74 28.538 11.085 -13.442 1.00 0.55 H new ATOM 0 HG2 LYS A 74 27.969 13.336 -13.559 1.00 0.70 H new ATOM 0 HG3 LYS A 74 26.388 12.618 -13.798 1.00 0.70 H new ATOM 0 HD2 LYS A 74 26.334 12.811 -11.061 1.00 0.40 H new ATOM 0 HD3 LYS A 74 27.447 14.124 -11.394 1.00 0.40 H new ATOM 0 HE2 LYS A 74 25.095 14.950 -11.406 1.00 0.75 H new ATOM 0 HE3 LYS A 74 25.810 15.128 -12.996 1.00 0.75 H new ATOM 0 HZ1 LYS A 74 24.130 13.858 -13.744 1.00 1.73 H new ATOM 0 HZ2 LYS A 74 24.851 12.537 -12.957 1.00 1.73 H new ATOM 0 HZ3 LYS A 74 23.640 13.434 -12.174 1.00 1.73 H new ATOM 914 N LEU A 75 27.110 8.445 -11.327 1.00 0.40 N ATOM 915 CA LEU A 75 27.635 7.099 -10.925 1.00 0.46 C ATOM 916 C LEU A 75 26.502 6.146 -10.589 1.00 0.40 C ATOM 917 O LEU A 75 26.572 5.380 -9.649 1.00 0.46 O ATOM 918 CB LEU A 75 28.484 7.326 -9.713 1.00 0.53 C ATOM 919 CG LEU A 75 29.454 8.482 -9.840 1.00 0.55 C ATOM 920 CD1 LEU A 75 30.022 8.634 -8.439 1.00 0.69 C ATOM 921 CD2 LEU A 75 30.532 8.122 -10.862 1.00 0.58 C ATOM 0 H LEU A 75 26.670 8.957 -10.563 1.00 0.40 H new ATOM 0 HA LEU A 75 28.201 6.648 -11.740 1.00 0.46 H new ATOM 0 HB2 LEU A 75 27.834 7.505 -8.857 1.00 0.53 H new ATOM 0 HB3 LEU A 75 29.046 6.416 -9.502 1.00 0.53 H new ATOM 0 HG LEU A 75 29.001 9.410 -10.188 1.00 0.55 H new ATOM 0 HD11 LEU A 75 30.741 9.453 -8.425 1.00 0.69 H new ATOM 0 HD12 LEU A 75 29.214 8.849 -7.740 1.00 0.69 H new ATOM 0 HD13 LEU A 75 30.519 7.709 -8.146 1.00 0.69 H new ATOM 0 HD21 LEU A 75 31.234 8.951 -10.958 1.00 0.58 H new ATOM 0 HD22 LEU A 75 31.065 7.231 -10.530 1.00 0.58 H new ATOM 0 HD23 LEU A 75 30.067 7.927 -11.828 1.00 0.58 H new ATOM 933 N ASP A 76 25.496 6.244 -11.387 1.00 0.30 N ATOM 934 CA ASP A 76 24.284 5.405 -11.222 1.00 0.24 C ATOM 935 C ASP A 76 23.985 4.944 -9.754 1.00 0.16 C ATOM 936 O ASP A 76 23.641 3.806 -9.497 1.00 0.14 O ATOM 937 CB ASP A 76 24.423 4.176 -12.238 1.00 0.38 C ATOM 938 CG ASP A 76 25.837 3.683 -12.564 1.00 0.51 C ATOM 939 OD1 ASP A 76 26.553 4.437 -13.200 1.00 0.90 O ATOM 940 OD2 ASP A 76 26.106 2.565 -12.158 1.00 1.45 O ATOM 0 H ASP A 76 25.456 6.890 -12.175 1.00 0.30 H new ATOM 0 HA ASP A 76 23.410 6.013 -11.455 1.00 0.24 H new ATOM 0 HB2 ASP A 76 23.860 3.337 -11.829 1.00 0.38 H new ATOM 0 HB3 ASP A 76 23.941 4.458 -13.174 1.00 0.38 H new ATOM 945 N ASN A 77 24.133 5.863 -8.818 1.00 0.14 N ATOM 946 CA ASN A 77 23.854 5.558 -7.371 1.00 0.09 C ATOM 947 C ASN A 77 22.570 6.334 -7.135 1.00 0.17 C ATOM 948 O ASN A 77 22.293 7.235 -7.893 1.00 0.39 O ATOM 949 CB ASN A 77 24.895 6.138 -6.411 1.00 0.16 C ATOM 950 CG ASN A 77 26.220 5.452 -6.578 1.00 1.24 C ATOM 951 OD1 ASN A 77 27.137 6.143 -7.162 1.00 2.58 O flip ATOM 952 ND2 ASN A 77 26.446 4.323 -6.197 1.00 0.95 N flip ATOM 0 H ASN A 77 24.438 6.819 -8.999 1.00 0.14 H new ATOM 0 HA ASN A 77 23.834 4.482 -7.195 1.00 0.09 H new ATOM 0 HB2 ASN A 77 25.009 7.206 -6.594 1.00 0.16 H new ATOM 0 HB3 ASN A 77 24.550 6.026 -5.383 1.00 0.16 H new ATOM 0 HD21 ASN A 77 25.713 3.784 -5.736 1.00 0.95 H new ATOM 0 HD22 ASN A 77 27.369 3.912 -6.338 1.00 0.95 H new ATOM 959 N ILE A 78 21.828 6.020 -6.117 1.00 0.09 N ATOM 960 CA ILE A 78 20.566 6.776 -5.891 1.00 0.05 C ATOM 961 C ILE A 78 20.894 8.056 -5.215 1.00 0.11 C ATOM 962 O ILE A 78 21.285 8.107 -4.071 1.00 0.15 O ATOM 963 CB ILE A 78 19.601 5.907 -5.033 1.00 0.12 C ATOM 964 CG1 ILE A 78 19.375 4.542 -5.699 1.00 0.13 C ATOM 965 CG2 ILE A 78 18.188 6.585 -4.865 1.00 0.16 C ATOM 966 CD1 ILE A 78 19.409 4.720 -7.210 1.00 0.13 C ATOM 0 H ILE A 78 22.033 5.285 -5.440 1.00 0.09 H new ATOM 0 HA ILE A 78 20.070 7.001 -6.835 1.00 0.05 H new ATOM 0 HB ILE A 78 20.072 5.796 -4.056 1.00 0.12 H new ATOM 0 HG12 ILE A 78 20.145 3.837 -5.385 1.00 0.13 H new ATOM 0 HG13 ILE A 78 18.416 4.126 -5.390 1.00 0.13 H new ATOM 0 HG21 ILE A 78 17.547 5.944 -4.260 1.00 0.16 H new ATOM 0 HG22 ILE A 78 18.304 7.551 -4.373 1.00 0.16 H new ATOM 0 HG23 ILE A 78 17.735 6.729 -5.846 1.00 0.16 H new ATOM 0 HD11 ILE A 78 19.249 3.756 -7.694 1.00 0.13 H new ATOM 0 HD12 ILE A 78 18.623 5.412 -7.513 1.00 0.13 H new ATOM 0 HD13 ILE A 78 20.379 5.119 -7.508 1.00 0.13 H new ATOM 978 N ALA A 79 20.695 9.073 -5.989 1.00 0.14 N ATOM 979 CA ALA A 79 20.961 10.441 -5.505 1.00 0.16 C ATOM 980 C ALA A 79 19.746 10.745 -4.622 1.00 0.15 C ATOM 981 O ALA A 79 19.891 11.297 -3.552 1.00 0.16 O ATOM 982 CB ALA A 79 21.070 11.330 -6.761 1.00 0.16 C ATOM 0 H ALA A 79 20.355 9.013 -6.949 1.00 0.14 H new ATOM 0 HA ALA A 79 21.875 10.596 -4.932 1.00 0.16 H new ATOM 0 HB1 ALA A 79 21.267 12.359 -6.462 1.00 0.16 H new ATOM 0 HB2 ALA A 79 21.885 10.972 -7.390 1.00 0.16 H new ATOM 0 HB3 ALA A 79 20.135 11.287 -7.319 1.00 0.16 H new ATOM 988 N GLN A 80 18.580 10.368 -5.081 1.00 0.16 N ATOM 989 CA GLN A 80 17.353 10.640 -4.246 1.00 0.12 C ATOM 990 C GLN A 80 16.253 9.574 -4.124 1.00 0.14 C ATOM 991 O GLN A 80 16.277 8.576 -4.809 1.00 0.17 O ATOM 992 CB GLN A 80 16.731 11.907 -4.760 1.00 0.19 C ATOM 993 CG GLN A 80 16.665 12.917 -3.580 1.00 0.28 C ATOM 994 CD GLN A 80 15.807 14.094 -3.970 1.00 0.35 C ATOM 995 OE1 GLN A 80 15.451 14.251 -5.198 1.00 0.76 O flip ATOM 996 NE2 GLN A 80 15.435 14.916 -3.165 1.00 0.96 N flip ATOM 0 H GLN A 80 18.417 9.896 -5.971 1.00 0.16 H new ATOM 0 HA GLN A 80 17.747 10.678 -3.230 1.00 0.12 H new ATOM 0 HB2 GLN A 80 17.320 12.316 -5.581 1.00 0.19 H new ATOM 0 HB3 GLN A 80 15.733 11.711 -5.151 1.00 0.19 H new ATOM 0 HG2 GLN A 80 16.254 12.432 -2.695 1.00 0.28 H new ATOM 0 HG3 GLN A 80 17.668 13.255 -3.321 1.00 0.28 H new ATOM 0 HE21 GLN A 80 15.698 14.824 -2.184 1.00 0.96 H new ATOM 0 HE22 GLN A 80 14.859 15.701 -3.467 1.00 0.96 H new ATOM 1005 N VAL A 81 15.311 9.840 -3.246 1.00 0.19 N ATOM 1006 CA VAL A 81 14.161 8.902 -2.999 1.00 0.29 C ATOM 1007 C VAL A 81 13.433 8.581 -4.315 1.00 0.27 C ATOM 1008 O VAL A 81 12.715 9.433 -4.804 1.00 0.33 O ATOM 1009 CB VAL A 81 13.140 9.547 -2.020 1.00 0.42 C ATOM 1010 CG1 VAL A 81 12.029 8.492 -1.663 1.00 0.50 C ATOM 1011 CG2 VAL A 81 13.838 10.031 -0.736 1.00 0.47 C ATOM 0 H VAL A 81 15.290 10.686 -2.677 1.00 0.19 H new ATOM 0 HA VAL A 81 14.565 7.986 -2.568 1.00 0.29 H new ATOM 0 HB VAL A 81 12.687 10.412 -2.504 1.00 0.42 H new ATOM 0 HG11 VAL A 81 11.310 8.939 -0.976 1.00 0.50 H new ATOM 0 HG12 VAL A 81 11.517 8.181 -2.573 1.00 0.50 H new ATOM 0 HG13 VAL A 81 12.490 7.624 -1.191 1.00 0.50 H new ATOM 0 HG21 VAL A 81 13.102 10.478 -0.068 1.00 0.47 H new ATOM 0 HG22 VAL A 81 14.313 9.185 -0.239 1.00 0.47 H new ATOM 0 HG23 VAL A 81 14.595 10.773 -0.991 1.00 0.47 H new ATOM 1021 N PRO A 82 13.604 7.404 -4.874 1.00 0.20 N ATOM 1022 CA PRO A 82 12.933 7.062 -6.158 1.00 0.21 C ATOM 1023 C PRO A 82 11.466 6.682 -5.765 1.00 0.28 C ATOM 1024 O PRO A 82 11.241 6.190 -4.674 1.00 0.29 O ATOM 1025 CB PRO A 82 13.886 5.968 -6.654 1.00 0.14 C ATOM 1026 CG PRO A 82 14.163 5.158 -5.398 1.00 0.07 C ATOM 1027 CD PRO A 82 14.435 6.263 -4.368 1.00 0.13 C ATOM 0 HA PRO A 82 12.797 7.794 -6.954 1.00 0.21 H new ATOM 0 HB2 PRO A 82 13.430 5.359 -7.434 1.00 0.14 H new ATOM 0 HB3 PRO A 82 14.800 6.389 -7.072 1.00 0.14 H new ATOM 0 HG2 PRO A 82 13.313 4.536 -5.116 1.00 0.07 H new ATOM 0 HG3 PRO A 82 15.018 4.493 -5.520 1.00 0.07 H new ATOM 0 HD2 PRO A 82 14.138 5.961 -3.364 1.00 0.13 H new ATOM 0 HD3 PRO A 82 15.493 6.522 -4.323 1.00 0.13 H new ATOM 1035 N ARG A 83 10.513 6.914 -6.628 1.00 0.30 N ATOM 1036 CA ARG A 83 9.066 6.598 -6.331 1.00 0.36 C ATOM 1037 C ARG A 83 8.294 5.979 -7.532 1.00 0.41 C ATOM 1038 O ARG A 83 8.745 6.081 -8.655 1.00 0.41 O ATOM 1039 CB ARG A 83 8.421 7.933 -5.852 1.00 0.29 C ATOM 1040 CG ARG A 83 9.167 8.470 -4.576 1.00 0.27 C ATOM 1041 CD ARG A 83 8.417 9.700 -4.044 1.00 0.22 C ATOM 1042 NE ARG A 83 8.488 9.719 -2.527 1.00 1.00 N ATOM 1043 CZ ARG A 83 9.011 10.650 -1.830 1.00 1.41 C ATOM 1044 NH1 ARG A 83 10.227 10.949 -2.005 1.00 1.98 N ATOM 1045 NH2 ARG A 83 8.237 11.205 -1.000 1.00 1.76 N ATOM 0 H ARG A 83 10.671 7.319 -7.551 1.00 0.30 H new ATOM 0 HA ARG A 83 9.011 5.824 -5.565 1.00 0.36 H new ATOM 0 HB2 ARG A 83 8.469 8.675 -6.649 1.00 0.29 H new ATOM 0 HB3 ARG A 83 7.366 7.775 -5.626 1.00 0.29 H new ATOM 0 HG2 ARG A 83 9.211 7.695 -3.811 1.00 0.27 H new ATOM 0 HG3 ARG A 83 10.196 8.733 -4.823 1.00 0.27 H new ATOM 0 HD2 ARG A 83 8.856 10.611 -4.451 1.00 0.22 H new ATOM 0 HD3 ARG A 83 7.377 9.674 -4.370 1.00 0.22 H new ATOM 0 HE ARG A 83 8.086 8.926 -2.027 1.00 1.00 H new ATOM 0 HH11 ARG A 83 10.781 10.447 -2.699 1.00 1.98 H new ATOM 0 HH12 ARG A 83 10.654 11.692 -1.452 1.00 1.98 H new ATOM 0 HH21 ARG A 83 7.267 10.899 -0.924 1.00 1.76 H new ATOM 0 HH22 ARG A 83 8.582 11.959 -0.406 1.00 1.76 H new ATOM 1059 N VAL A 84 7.166 5.378 -7.248 1.00 0.45 N ATOM 1060 CA VAL A 84 6.289 4.708 -8.285 1.00 0.45 C ATOM 1061 C VAL A 84 5.747 5.476 -9.496 1.00 0.66 C ATOM 1062 O VAL A 84 6.326 5.521 -10.566 1.00 1.10 O ATOM 1063 CB VAL A 84 5.078 4.057 -7.503 1.00 0.38 C ATOM 1064 CG1 VAL A 84 4.099 3.341 -8.432 1.00 0.36 C ATOM 1065 CG2 VAL A 84 5.571 2.938 -6.677 1.00 0.34 C ATOM 0 H VAL A 84 6.793 5.317 -6.300 1.00 0.45 H new ATOM 0 HA VAL A 84 6.980 4.028 -8.783 1.00 0.45 H new ATOM 0 HB VAL A 84 4.616 4.879 -6.956 1.00 0.38 H new ATOM 0 HG11 VAL A 84 3.287 2.912 -7.844 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.691 4.053 -9.149 1.00 0.36 H new ATOM 0 HG13 VAL A 84 4.619 2.546 -8.966 1.00 0.36 H new ATOM 0 HG21 VAL A 84 4.737 2.489 -6.138 1.00 0.34 H new ATOM 0 HG22 VAL A 84 6.034 2.188 -7.319 1.00 0.34 H new ATOM 0 HG23 VAL A 84 6.307 3.309 -5.963 1.00 0.34 H new ATOM 1075 N GLY A 85 4.630 6.068 -9.224 1.00 0.54 N ATOM 1076 CA GLY A 85 3.912 6.857 -10.248 1.00 0.69 C ATOM 1077 C GLY A 85 3.978 8.353 -10.008 1.00 0.62 C ATOM 1078 O GLY A 85 4.503 8.765 -8.985 1.00 1.17 O ATOM 1079 OXT GLY A 85 3.471 8.986 -10.911 1.00 1.54 O ATOM 0 H GLY A 85 4.173 6.038 -8.313 1.00 0.54 H new ATOM 0 HA2 GLY A 85 4.332 6.635 -11.229 1.00 0.69 H new ATOM 0 HA3 GLY A 85 2.868 6.545 -10.271 1.00 0.69 H new TER 1083 GLY A 85