USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 602 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 49 ASN : amide:sc= -11.7! C(o=-25!,f=-30!) USER MOD Set 1.2: A 51 ASN : amide:sc= -14! C(o=-25!,f=-31!) USER MOD Set 1.3: A 52 SER OG : rot 38:sc= 0.332 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0778 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -137:sc= -2.76! (180deg=-5.36!) USER MOD Single : A 12 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -5:sc= 0.233 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= -1.36 (180deg=-4.01!) USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= -0.332! (180deg=-1.5!) USER MOD Single : A 30 GLN : amide:sc= -2.34 K(o=-2.3,f=-0.25) USER MOD Single : A 33 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.08) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 41 LYS NZ :NH3+ 149:sc= -0.327 (180deg=-1.44!) USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= -2.51! (180deg=-5.11!) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= -0.353 (180deg=-1.6!) USER MOD Single : A 65 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.77) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.742 -7.560 7.071 1.00 0.00 N ATOM 2 CA MET A 1 8.244 -6.165 7.223 1.00 0.00 C ATOM 3 C MET A 1 7.059 -5.200 7.277 1.00 0.00 C ATOM 4 O MET A 1 5.997 -5.476 6.754 1.00 0.00 O ATOM 5 CB MET A 1 9.138 -5.812 6.033 1.00 0.00 C ATOM 6 CG MET A 1 9.801 -4.455 6.276 1.00 0.00 C ATOM 7 SD MET A 1 10.975 -4.110 4.942 1.00 0.00 S ATOM 8 CE MET A 1 11.207 -2.350 5.293 1.00 0.00 C ATOM 0 H1 MET A 1 8.362 -8.083 6.421 1.00 0.00 H new ATOM 0 H2 MET A 1 7.737 -8.030 7.999 1.00 0.00 H new ATOM 0 H3 MET A 1 6.776 -7.541 6.687 1.00 0.00 H new ATOM 0 HA MET A 1 8.820 -6.084 8.145 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.899 -6.581 5.896 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.547 -5.781 5.118 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.045 -3.671 6.321 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.316 -4.457 7.237 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.909 -1.925 4.575 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.250 -1.834 5.214 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.602 -2.229 6.302 1.00 0.00 H new ATOM 20 N GLU A 2 7.230 -4.067 7.906 1.00 0.00 N ATOM 21 CA GLU A 2 6.113 -3.080 7.996 1.00 0.00 C ATOM 22 C GLU A 2 6.159 -2.144 6.786 1.00 0.00 C ATOM 23 O GLU A 2 7.032 -1.306 6.671 1.00 0.00 O ATOM 24 CB GLU A 2 6.264 -2.261 9.280 1.00 0.00 C ATOM 25 CG GLU A 2 5.983 -3.152 10.491 1.00 0.00 C ATOM 26 CD GLU A 2 7.089 -4.201 10.621 1.00 0.00 C ATOM 27 OE1 GLU A 2 8.122 -3.878 11.186 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.885 -5.310 10.155 1.00 0.00 O ATOM 0 H GLU A 2 8.097 -3.782 8.362 1.00 0.00 H new ATOM 0 HA GLU A 2 5.160 -3.608 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.271 -1.849 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.574 -1.417 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.932 -2.547 11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.015 -3.641 10.379 1.00 0.00 H new ATOM 35 N LEU A 3 5.226 -2.279 5.884 1.00 0.00 N ATOM 36 CA LEU A 3 5.212 -1.396 4.682 1.00 0.00 C ATOM 37 C LEU A 3 3.801 -1.376 4.089 1.00 0.00 C ATOM 38 O LEU A 3 3.510 -2.071 3.136 1.00 0.00 O ATOM 39 CB LEU A 3 6.203 -1.941 3.642 1.00 0.00 C ATOM 40 CG LEU A 3 6.266 -1.014 2.414 1.00 0.00 C ATOM 41 CD1 LEU A 3 6.963 0.309 2.773 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.047 -1.717 1.301 1.00 0.00 C ATOM 0 H LEU A 3 4.471 -2.964 5.927 1.00 0.00 H new ATOM 0 HA LEU A 3 5.502 -0.383 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.194 -2.030 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.901 -2.942 3.334 1.00 0.00 H new ATOM 0 HG LEU A 3 5.252 -0.793 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.999 0.952 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.407 0.810 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.978 0.105 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.097 -1.069 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.057 -1.937 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.544 -2.647 1.035 1.00 0.00 H new ATOM 54 N TRP A 4 2.923 -0.584 4.641 1.00 0.00 N ATOM 55 CA TRP A 4 1.536 -0.521 4.100 1.00 0.00 C ATOM 56 C TRP A 4 1.501 0.430 2.903 1.00 0.00 C ATOM 57 O TRP A 4 2.398 1.226 2.706 1.00 0.00 O ATOM 58 CB TRP A 4 0.584 -0.022 5.189 1.00 0.00 C ATOM 59 CG TRP A 4 0.629 -0.965 6.348 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.641 -1.043 7.243 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.354 -1.963 6.752 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.344 -2.022 8.173 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.128 -2.621 7.916 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.607 -2.363 6.228 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.606 -3.637 8.541 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.348 -3.387 6.855 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.849 -4.023 8.009 1.00 0.00 C ATOM 0 H TRP A 4 3.106 0.021 5.442 1.00 0.00 H new ATOM 0 HA TRP A 4 1.223 -1.515 3.780 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.870 0.980 5.508 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.431 0.046 4.799 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.536 -0.438 7.233 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.950 -2.271 8.954 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.998 -1.882 5.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.220 -4.121 9.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.303 -3.685 6.448 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.421 -4.806 8.484 1.00 0.00 H new ATOM 78 N VAL A 5 0.473 0.348 2.097 1.00 0.00 N ATOM 79 CA VAL A 5 0.369 1.236 0.899 1.00 0.00 C ATOM 80 C VAL A 5 -1.065 1.754 0.774 1.00 0.00 C ATOM 81 O VAL A 5 -1.992 1.168 1.298 1.00 0.00 O ATOM 82 CB VAL A 5 0.732 0.433 -0.351 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.727 1.353 -1.571 1.00 0.00 C ATOM 84 CG2 VAL A 5 2.125 -0.176 -0.179 1.00 0.00 C ATOM 0 H VAL A 5 -0.305 -0.301 2.218 1.00 0.00 H new ATOM 0 HA VAL A 5 1.051 2.080 1.005 1.00 0.00 H new ATOM 0 HB VAL A 5 0.001 -0.363 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.986 0.779 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.265 1.787 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.457 2.150 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.384 -0.748 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.855 0.620 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.130 -0.834 0.690 1.00 0.00 H new ATOM 94 N SER A 6 -1.253 2.855 0.088 1.00 0.00 N ATOM 95 CA SER A 6 -2.626 3.433 -0.076 1.00 0.00 C ATOM 96 C SER A 6 -3.128 3.154 -1.511 1.00 0.00 C ATOM 97 O SER A 6 -2.323 3.023 -2.412 1.00 0.00 O ATOM 98 CB SER A 6 -2.542 4.945 0.153 1.00 0.00 C ATOM 99 OG SER A 6 -2.524 5.206 1.550 1.00 0.00 O ATOM 0 H SER A 6 -0.509 3.383 -0.369 1.00 0.00 H new ATOM 0 HA SER A 6 -3.316 2.984 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.643 5.346 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.393 5.443 -0.311 1.00 0.00 H new ATOM 0 HG SER A 6 -2.469 6.173 1.702 1.00 0.00 H new ATOM 105 N PRO A 7 -4.437 3.079 -1.702 1.00 0.00 N ATOM 106 CA PRO A 7 -5.003 2.828 -3.045 1.00 0.00 C ATOM 107 C PRO A 7 -4.453 3.846 -4.057 1.00 0.00 C ATOM 108 O PRO A 7 -4.110 3.504 -5.171 1.00 0.00 O ATOM 109 CB PRO A 7 -6.535 2.979 -2.869 1.00 0.00 C ATOM 110 CG PRO A 7 -6.808 3.236 -1.358 1.00 0.00 C ATOM 111 CD PRO A 7 -5.446 3.231 -0.629 1.00 0.00 C ATOM 0 HA PRO A 7 -4.740 1.843 -3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.911 3.805 -3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.050 2.079 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.314 4.191 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.463 2.466 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.293 4.155 -0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.385 2.413 0.088 1.00 0.00 H new ATOM 119 N LYS A 8 -4.376 5.094 -3.681 1.00 0.00 N ATOM 120 CA LYS A 8 -3.859 6.124 -4.628 1.00 0.00 C ATOM 121 C LYS A 8 -2.442 5.748 -5.073 1.00 0.00 C ATOM 122 O LYS A 8 -2.006 6.106 -6.149 1.00 0.00 O ATOM 123 CB LYS A 8 -3.841 7.494 -3.937 1.00 0.00 C ATOM 124 CG LYS A 8 -3.377 7.334 -2.486 1.00 0.00 C ATOM 125 CD LYS A 8 -2.943 8.693 -1.928 1.00 0.00 C ATOM 126 CE LYS A 8 -4.141 9.646 -1.893 1.00 0.00 C ATOM 127 NZ LYS A 8 -4.395 10.176 -3.263 1.00 0.00 N ATOM 0 H LYS A 8 -4.648 5.444 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.508 6.171 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.174 8.172 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.836 7.939 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.184 6.922 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.548 6.628 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.534 8.571 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.150 9.114 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.024 9.124 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.946 10.468 -1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.594 11.195 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.556 10.018 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.212 9.685 -3.679 1.00 0.00 H new ATOM 141 N GLU A 9 -1.721 5.025 -4.259 1.00 0.00 N ATOM 142 CA GLU A 9 -0.336 4.626 -4.646 1.00 0.00 C ATOM 143 C GLU A 9 -0.400 3.360 -5.501 1.00 0.00 C ATOM 144 O GLU A 9 0.485 3.080 -6.286 1.00 0.00 O ATOM 145 CB GLU A 9 0.487 4.345 -3.386 1.00 0.00 C ATOM 146 CG GLU A 9 0.869 5.668 -2.719 1.00 0.00 C ATOM 147 CD GLU A 9 1.934 6.376 -3.558 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.772 5.689 -4.118 1.00 0.00 O ATOM 149 OE2 GLU A 9 1.894 7.594 -3.625 1.00 0.00 O ATOM 0 H GLU A 9 -2.030 4.694 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 9 0.132 5.431 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.087 3.729 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.385 3.783 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.011 6.303 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.247 5.484 -1.713 1.00 0.00 H new ATOM 156 N LEU A 10 -1.445 2.590 -5.354 1.00 0.00 N ATOM 157 CA LEU A 10 -1.576 1.340 -6.153 1.00 0.00 C ATOM 158 C LEU A 10 -2.134 1.676 -7.536 1.00 0.00 C ATOM 159 O LEU A 10 -1.971 0.930 -8.481 1.00 0.00 O ATOM 160 CB LEU A 10 -2.540 0.384 -5.441 1.00 0.00 C ATOM 161 CG LEU A 10 -1.977 -0.023 -4.074 1.00 0.00 C ATOM 162 CD1 LEU A 10 -3.002 -0.912 -3.360 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.654 -0.795 -4.248 1.00 0.00 C ATOM 0 H LEU A 10 -2.216 2.775 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.598 0.870 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.510 0.864 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.701 -0.503 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.782 0.872 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.612 -1.207 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.932 -0.359 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.192 -1.802 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.266 -1.077 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.832 -1.692 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.072 -0.162 -4.757 1.00 0.00 H new ATOM 175 N ALA A 11 -2.808 2.786 -7.650 1.00 0.00 N ATOM 176 CA ALA A 11 -3.400 3.193 -8.960 1.00 0.00 C ATOM 177 C ALA A 11 -2.309 3.450 -10.013 1.00 0.00 C ATOM 178 O ALA A 11 -2.489 4.266 -10.895 1.00 0.00 O ATOM 179 CB ALA A 11 -4.219 4.470 -8.764 1.00 0.00 C ATOM 0 H ALA A 11 -2.977 3.438 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.034 2.381 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.654 4.773 -9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.016 4.284 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.571 5.264 -8.392 1.00 0.00 H new ATOM 185 N ASN A 12 -1.181 2.786 -9.942 1.00 0.00 N ATOM 186 CA ASN A 12 -0.109 3.040 -10.959 1.00 0.00 C ATOM 187 C ASN A 12 0.708 1.771 -11.228 1.00 0.00 C ATOM 188 O ASN A 12 1.534 1.744 -12.119 1.00 0.00 O ATOM 189 CB ASN A 12 0.822 4.139 -10.444 1.00 0.00 C ATOM 190 CG ASN A 12 0.006 5.392 -10.124 1.00 0.00 C ATOM 191 OD1 ASN A 12 -0.325 5.641 -8.981 1.00 0.00 O ATOM 192 ND2 ASN A 12 -0.336 6.198 -11.092 1.00 0.00 N ATOM 0 H ASN A 12 -0.956 2.087 -9.234 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.582 3.349 -11.891 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.347 3.797 -9.552 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.581 4.368 -11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.881 7.036 -10.889 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.059 5.990 -12.051 1.00 0.00 H new ATOM 199 N LEU A 13 0.495 0.717 -10.487 1.00 0.00 N ATOM 200 CA LEU A 13 1.278 -0.528 -10.743 1.00 0.00 C ATOM 201 C LEU A 13 0.643 -1.260 -11.944 1.00 0.00 C ATOM 202 O LEU A 13 -0.550 -1.163 -12.131 1.00 0.00 O ATOM 203 CB LEU A 13 1.238 -1.416 -9.492 1.00 0.00 C ATOM 204 CG LEU A 13 1.415 -0.546 -8.240 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.626 -1.438 -7.014 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.634 0.368 -8.404 1.00 0.00 C ATOM 0 H LEU A 13 -0.179 0.663 -9.724 1.00 0.00 H new ATOM 0 HA LEU A 13 2.318 -0.291 -10.968 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.290 -1.952 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.027 -2.167 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 13 0.519 0.060 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.751 -0.815 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.760 -2.086 -6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.518 -2.048 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.752 0.982 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.528 -0.239 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.491 1.013 -9.271 1.00 0.00 H new ATOM 218 N PRO A 14 1.434 -1.961 -12.740 1.00 0.00 N ATOM 219 CA PRO A 14 0.893 -2.674 -13.917 1.00 0.00 C ATOM 220 C PRO A 14 -0.187 -3.686 -13.500 1.00 0.00 C ATOM 221 O PRO A 14 -1.347 -3.541 -13.832 1.00 0.00 O ATOM 222 CB PRO A 14 2.115 -3.386 -14.549 1.00 0.00 C ATOM 223 CG PRO A 14 3.337 -3.127 -13.621 1.00 0.00 C ATOM 224 CD PRO A 14 2.896 -2.107 -12.549 1.00 0.00 C ATOM 0 HA PRO A 14 0.410 -1.996 -14.621 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.928 -4.455 -14.647 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.306 -3.003 -15.551 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.668 -4.055 -13.155 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.179 -2.741 -14.195 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.130 -2.463 -11.546 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.408 -1.153 -12.677 1.00 0.00 H new ATOM 232 N GLY A 15 0.196 -4.714 -12.793 1.00 0.00 N ATOM 233 CA GLY A 15 -0.789 -5.754 -12.365 1.00 0.00 C ATOM 234 C GLY A 15 -2.081 -5.097 -11.873 1.00 0.00 C ATOM 235 O GLY A 15 -3.165 -5.610 -12.071 1.00 0.00 O ATOM 0 H GLY A 15 1.156 -4.881 -12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.008 -6.421 -13.199 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.360 -6.365 -11.571 1.00 0.00 H new ATOM 239 N LEU A 16 -1.975 -3.968 -11.227 1.00 0.00 N ATOM 240 CA LEU A 16 -3.195 -3.271 -10.713 1.00 0.00 C ATOM 241 C LEU A 16 -3.642 -2.212 -11.745 1.00 0.00 C ATOM 242 O LEU A 16 -2.810 -1.683 -12.452 1.00 0.00 O ATOM 243 CB LEU A 16 -2.835 -2.581 -9.392 1.00 0.00 C ATOM 244 CG LEU A 16 -2.045 -3.546 -8.501 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.752 -2.865 -7.166 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.869 -4.816 -8.258 1.00 0.00 C ATOM 0 H LEU A 16 -1.093 -3.494 -11.031 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.004 -3.983 -10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.244 -1.686 -9.588 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.742 -2.259 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.109 -3.815 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.190 -3.545 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.166 -1.962 -7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.690 -2.601 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.305 -5.500 -7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.805 -4.554 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.084 -5.298 -9.212 1.00 0.00 H new ATOM 258 N PRO A 17 -4.929 -1.912 -11.817 1.00 0.00 N ATOM 259 CA PRO A 17 -5.416 -0.901 -12.776 1.00 0.00 C ATOM 260 C PRO A 17 -4.642 0.414 -12.587 1.00 0.00 C ATOM 261 O PRO A 17 -3.699 0.483 -11.824 1.00 0.00 O ATOM 262 CB PRO A 17 -6.920 -0.732 -12.455 1.00 0.00 C ATOM 263 CG PRO A 17 -7.270 -1.737 -11.319 1.00 0.00 C ATOM 264 CD PRO A 17 -5.985 -2.528 -10.983 1.00 0.00 C ATOM 0 HA PRO A 17 -5.269 -1.197 -13.815 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.133 0.290 -12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.526 -0.927 -13.340 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.635 -1.208 -10.439 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.064 -2.413 -11.637 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.743 -2.456 -9.923 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.102 -3.587 -11.212 1.00 0.00 H new ATOM 272 N LYS A 18 -5.035 1.452 -13.284 1.00 0.00 N ATOM 273 CA LYS A 18 -4.330 2.768 -13.163 1.00 0.00 C ATOM 274 C LYS A 18 -5.183 3.741 -12.346 1.00 0.00 C ATOM 275 O LYS A 18 -4.840 4.897 -12.191 1.00 0.00 O ATOM 276 CB LYS A 18 -4.107 3.343 -14.563 1.00 0.00 C ATOM 277 CG LYS A 18 -3.590 2.239 -15.488 1.00 0.00 C ATOM 278 CD LYS A 18 -2.988 2.864 -16.748 1.00 0.00 C ATOM 279 CE LYS A 18 -4.082 3.587 -17.536 1.00 0.00 C ATOM 280 NZ LYS A 18 -3.595 3.873 -18.915 1.00 0.00 N ATOM 0 H LYS A 18 -5.819 1.445 -13.936 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.373 2.624 -12.662 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.039 3.753 -14.953 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.391 4.163 -14.522 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.839 1.641 -14.972 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.404 1.566 -15.757 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.198 3.564 -16.477 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.531 2.092 -17.366 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.982 2.973 -17.577 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.353 4.516 -17.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.339 4.364 -19.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.748 4.475 -18.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.358 2.980 -19.392 1.00 0.00 H new ATOM 294 N THR A 19 -6.293 3.283 -11.825 1.00 0.00 N ATOM 295 CA THR A 19 -7.184 4.175 -11.014 1.00 0.00 C ATOM 296 C THR A 19 -7.580 3.459 -9.722 1.00 0.00 C ATOM 297 O THR A 19 -7.984 2.314 -9.734 1.00 0.00 O ATOM 298 CB THR A 19 -8.445 4.500 -11.819 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.293 3.361 -11.847 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.055 4.887 -13.247 1.00 0.00 C ATOM 0 H THR A 19 -6.624 2.324 -11.926 1.00 0.00 H new ATOM 0 HA THR A 19 -6.655 5.097 -10.773 1.00 0.00 H new ATOM 0 HB THR A 19 -8.971 5.332 -11.352 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.842 2.607 -11.413 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.953 5.118 -13.820 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.405 5.762 -13.222 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.528 4.057 -13.718 1.00 0.00 H new ATOM 308 N SER A 20 -7.471 4.129 -8.606 1.00 0.00 N ATOM 309 CA SER A 20 -7.844 3.488 -7.315 1.00 0.00 C ATOM 310 C SER A 20 -9.261 2.924 -7.421 1.00 0.00 C ATOM 311 O SER A 20 -9.595 1.935 -6.798 1.00 0.00 O ATOM 312 CB SER A 20 -7.790 4.528 -6.195 1.00 0.00 C ATOM 313 OG SER A 20 -8.437 5.718 -6.629 1.00 0.00 O ATOM 0 H SER A 20 -7.140 5.091 -8.534 1.00 0.00 H new ATOM 0 HA SER A 20 -7.146 2.681 -7.093 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.277 4.141 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.754 4.739 -5.929 1.00 0.00 H new ATOM 0 HG SER A 20 -8.406 6.387 -5.913 1.00 0.00 H new ATOM 319 N ALA A 21 -10.097 3.544 -8.208 1.00 0.00 N ATOM 320 CA ALA A 21 -11.490 3.041 -8.356 1.00 0.00 C ATOM 321 C ALA A 21 -11.454 1.569 -8.768 1.00 0.00 C ATOM 322 O ALA A 21 -12.300 0.785 -8.383 1.00 0.00 O ATOM 323 CB ALA A 21 -12.216 3.855 -9.428 1.00 0.00 C ATOM 0 H ALA A 21 -9.875 4.376 -8.754 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.018 3.142 -7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.236 3.486 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.239 4.905 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.691 3.755 -10.378 1.00 0.00 H new ATOM 329 N GLY A 22 -10.480 1.187 -9.548 1.00 0.00 N ATOM 330 CA GLY A 22 -10.385 -0.234 -9.987 1.00 0.00 C ATOM 331 C GLY A 22 -9.707 -1.060 -8.893 1.00 0.00 C ATOM 332 O GLY A 22 -10.056 -2.199 -8.656 1.00 0.00 O ATOM 0 H GLY A 22 -9.744 1.799 -9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.380 -0.630 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.816 -0.302 -10.914 1.00 0.00 H new ATOM 336 N VAL A 23 -8.739 -0.496 -8.225 1.00 0.00 N ATOM 337 CA VAL A 23 -8.040 -1.250 -7.147 1.00 0.00 C ATOM 338 C VAL A 23 -9.022 -1.543 -6.014 1.00 0.00 C ATOM 339 O VAL A 23 -9.197 -2.675 -5.610 1.00 0.00 O ATOM 340 CB VAL A 23 -6.882 -0.412 -6.606 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.104 -1.228 -5.572 1.00 0.00 C ATOM 342 CG2 VAL A 23 -5.953 -0.024 -7.757 1.00 0.00 C ATOM 0 H VAL A 23 -8.402 0.454 -8.379 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.655 -2.187 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.273 0.491 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.278 -0.632 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.767 -1.504 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.712 -2.130 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.127 0.574 -7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.560 -0.925 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.509 0.557 -8.493 1.00 0.00 H new ATOM 352 N ILE A 24 -9.667 -0.534 -5.500 1.00 0.00 N ATOM 353 CA ILE A 24 -10.639 -0.760 -4.396 1.00 0.00 C ATOM 354 C ILE A 24 -11.711 -1.741 -4.872 1.00 0.00 C ATOM 355 O ILE A 24 -12.092 -2.651 -4.162 1.00 0.00 O ATOM 356 CB ILE A 24 -11.281 0.573 -4.002 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.200 1.480 -3.393 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.390 0.323 -2.974 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.725 2.916 -3.214 1.00 0.00 C ATOM 0 H ILE A 24 -9.563 0.436 -5.796 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.129 -1.176 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.714 1.054 -4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.885 1.081 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.321 1.488 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.847 1.272 -2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.147 -0.330 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.966 -0.151 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.942 3.538 -2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.016 3.320 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.589 2.907 -2.550 1.00 0.00 H new ATOM 371 N TYR A 25 -12.192 -1.571 -6.072 1.00 0.00 N ATOM 372 CA TYR A 25 -13.230 -2.503 -6.596 1.00 0.00 C ATOM 373 C TYR A 25 -12.648 -3.915 -6.648 1.00 0.00 C ATOM 374 O TYR A 25 -13.281 -4.876 -6.258 1.00 0.00 O ATOM 375 CB TYR A 25 -13.646 -2.065 -8.003 1.00 0.00 C ATOM 376 CG TYR A 25 -14.683 -3.020 -8.545 1.00 0.00 C ATOM 377 CD1 TYR A 25 -16.023 -2.915 -8.123 1.00 0.00 C ATOM 378 CD2 TYR A 25 -14.313 -4.014 -9.471 1.00 0.00 C ATOM 379 CE1 TYR A 25 -16.991 -3.803 -8.629 1.00 0.00 C ATOM 380 CE2 TYR A 25 -15.282 -4.903 -9.976 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.621 -4.797 -9.555 1.00 0.00 C ATOM 382 OH TYR A 25 -17.570 -5.667 -10.050 1.00 0.00 O ATOM 0 H TYR A 25 -11.912 -0.828 -6.712 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.103 -2.489 -5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.049 -1.052 -7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.777 -2.045 -8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.307 -2.154 -7.412 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.286 -4.095 -9.794 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -18.019 -3.722 -8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.998 -5.666 -10.686 1.00 0.00 H new ATOM 0 HH TYR A 25 -17.147 -6.289 -10.678 1.00 0.00 H new ATOM 392 N VAL A 26 -11.439 -4.043 -7.122 1.00 0.00 N ATOM 393 CA VAL A 26 -10.799 -5.386 -7.199 1.00 0.00 C ATOM 394 C VAL A 26 -10.428 -5.848 -5.788 1.00 0.00 C ATOM 395 O VAL A 26 -10.311 -7.027 -5.523 1.00 0.00 O ATOM 396 CB VAL A 26 -9.537 -5.294 -8.066 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.747 -6.603 -7.977 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.938 -5.043 -9.521 1.00 0.00 C ATOM 0 H VAL A 26 -10.865 -3.271 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.490 -6.103 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.915 -4.474 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.852 -6.531 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.459 -6.785 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.367 -7.427 -8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.043 -4.977 -10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.562 -5.864 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.495 -4.109 -9.589 1.00 0.00 H new ATOM 408 N ALA A 27 -10.247 -4.930 -4.878 1.00 0.00 N ATOM 409 CA ALA A 27 -9.894 -5.331 -3.490 1.00 0.00 C ATOM 410 C ALA A 27 -10.928 -6.340 -2.994 1.00 0.00 C ATOM 411 O ALA A 27 -10.635 -7.198 -2.189 1.00 0.00 O ATOM 412 CB ALA A 27 -9.895 -4.101 -2.579 1.00 0.00 C ATOM 0 H ALA A 27 -10.328 -3.926 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.900 -5.779 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.636 -4.400 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.164 -3.379 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.886 -3.647 -2.582 1.00 0.00 H new ATOM 418 N LYS A 28 -12.135 -6.246 -3.478 1.00 0.00 N ATOM 419 CA LYS A 28 -13.186 -7.207 -3.042 1.00 0.00 C ATOM 420 C LYS A 28 -12.895 -8.575 -3.662 1.00 0.00 C ATOM 421 O LYS A 28 -13.126 -9.604 -3.058 1.00 0.00 O ATOM 422 CB LYS A 28 -14.558 -6.710 -3.505 1.00 0.00 C ATOM 423 CG LYS A 28 -14.794 -5.293 -2.968 1.00 0.00 C ATOM 424 CD LYS A 28 -16.046 -4.678 -3.616 1.00 0.00 C ATOM 425 CE LYS A 28 -17.321 -5.220 -2.955 1.00 0.00 C ATOM 426 NZ LYS A 28 -17.570 -6.615 -3.415 1.00 0.00 N ATOM 0 H LYS A 28 -12.439 -5.547 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.186 -7.289 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.609 -6.711 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.340 -7.381 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.914 -5.323 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.925 -4.669 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.015 -3.593 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.058 -4.905 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.218 -5.197 -1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.171 -4.586 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.590 -6.756 -3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.066 -6.781 -4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.228 -7.284 -2.696 1.00 0.00 H new ATOM 440 N LYS A 29 -12.385 -8.592 -4.864 1.00 0.00 N ATOM 441 CA LYS A 29 -12.072 -9.889 -5.525 1.00 0.00 C ATOM 442 C LYS A 29 -10.965 -10.599 -4.736 1.00 0.00 C ATOM 443 O LYS A 29 -10.529 -11.678 -5.089 1.00 0.00 O ATOM 444 CB LYS A 29 -11.607 -9.629 -6.969 1.00 0.00 C ATOM 445 CG LYS A 29 -12.822 -9.541 -7.905 1.00 0.00 C ATOM 446 CD LYS A 29 -13.797 -8.476 -7.393 1.00 0.00 C ATOM 447 CE LYS A 29 -14.883 -8.228 -8.443 1.00 0.00 C ATOM 448 NZ LYS A 29 -14.248 -7.864 -9.741 1.00 0.00 N ATOM 0 H LYS A 29 -12.172 -7.762 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.961 -10.519 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.035 -8.702 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.943 -10.430 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.497 -9.293 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.322 -10.508 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.250 -8.803 -6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.262 -7.550 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.497 -9.121 -8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.546 -7.428 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.691 -7.000 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.232 -7.697 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.378 -8.640 -10.421 1.00 0.00 H new ATOM 462 N GLN A 30 -10.510 -10.000 -3.667 1.00 0.00 N ATOM 463 CA GLN A 30 -9.436 -10.633 -2.845 1.00 0.00 C ATOM 464 C GLN A 30 -9.576 -10.160 -1.398 1.00 0.00 C ATOM 465 O GLN A 30 -9.935 -10.917 -0.518 1.00 0.00 O ATOM 466 CB GLN A 30 -8.065 -10.223 -3.391 1.00 0.00 C ATOM 467 CG GLN A 30 -7.876 -10.812 -4.791 1.00 0.00 C ATOM 468 CD GLN A 30 -6.406 -10.702 -5.199 1.00 0.00 C ATOM 469 OE1 GLN A 30 -5.726 -11.699 -5.335 1.00 0.00 O ATOM 470 NE2 GLN A 30 -5.884 -9.523 -5.400 1.00 0.00 N ATOM 0 H GLN A 30 -10.837 -9.096 -3.326 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.527 -11.718 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.987 -9.136 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.277 -10.577 -2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.190 -11.856 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.504 -10.282 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.456 -8.686 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.904 -9.439 -5.671 1.00 0.00 H new ATOM 479 N GLY A 31 -9.310 -8.904 -1.147 1.00 0.00 N ATOM 480 CA GLY A 31 -9.442 -8.365 0.242 1.00 0.00 C ATOM 481 C GLY A 31 -8.084 -8.378 0.945 1.00 0.00 C ATOM 482 O GLY A 31 -7.951 -8.890 2.039 1.00 0.00 O ATOM 0 H GLY A 31 -9.006 -8.226 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.833 -7.348 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.157 -8.964 0.806 1.00 0.00 H new ATOM 486 N TRP A 32 -7.075 -7.813 0.339 1.00 0.00 N ATOM 487 CA TRP A 32 -5.740 -7.797 0.998 1.00 0.00 C ATOM 488 C TRP A 32 -5.889 -7.249 2.418 1.00 0.00 C ATOM 489 O TRP A 32 -6.649 -6.332 2.663 1.00 0.00 O ATOM 490 CB TRP A 32 -4.777 -6.904 0.211 1.00 0.00 C ATOM 491 CG TRP A 32 -4.803 -7.273 -1.236 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.535 -8.505 -1.728 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.060 -6.418 -2.387 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.639 -8.470 -3.108 1.00 0.00 N ATOM 495 CE2 TRP A 32 -4.954 -7.206 -3.565 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.382 -5.049 -2.524 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.159 -6.653 -4.837 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.586 -4.487 -3.802 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.473 -5.289 -4.956 1.00 0.00 C ATOM 0 H TRP A 32 -7.117 -7.365 -0.577 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.342 -8.811 1.029 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.057 -5.858 0.333 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.766 -7.011 0.604 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.281 -9.374 -1.140 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.500 -9.279 -3.713 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.473 -4.429 -1.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.076 -7.271 -5.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -5.830 -3.439 -3.897 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.628 -4.854 -5.932 1.00 0.00 H new ATOM 510 N GLN A 33 -5.172 -7.800 3.357 1.00 0.00 N ATOM 511 CA GLN A 33 -5.277 -7.307 4.759 1.00 0.00 C ATOM 512 C GLN A 33 -5.115 -5.785 4.777 1.00 0.00 C ATOM 513 O GLN A 33 -4.018 -5.271 4.869 1.00 0.00 O ATOM 514 CB GLN A 33 -4.178 -7.947 5.610 1.00 0.00 C ATOM 515 CG GLN A 33 -4.268 -7.421 7.044 1.00 0.00 C ATOM 516 CD GLN A 33 -3.396 -8.282 7.959 1.00 0.00 C ATOM 517 OE1 GLN A 33 -3.803 -8.636 9.048 1.00 0.00 O ATOM 518 NE2 GLN A 33 -2.205 -8.636 7.561 1.00 0.00 N ATOM 0 H GLN A 33 -4.518 -8.570 3.215 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.252 -7.574 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.284 -9.032 5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.199 -7.719 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.940 -6.382 7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.303 -7.441 7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.863 -8.339 6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.615 -9.210 8.164 1.00 0.00 H new ATOM 527 N ASN A 34 -6.201 -5.060 4.689 1.00 0.00 N ATOM 528 CA ASN A 34 -6.118 -3.566 4.702 1.00 0.00 C ATOM 529 C ASN A 34 -6.405 -3.056 6.115 1.00 0.00 C ATOM 530 O ASN A 34 -7.475 -3.258 6.653 1.00 0.00 O ATOM 531 CB ASN A 34 -7.157 -2.990 3.732 1.00 0.00 C ATOM 532 CG ASN A 34 -8.470 -3.765 3.869 1.00 0.00 C ATOM 533 OD1 ASN A 34 -8.669 -4.765 3.210 1.00 0.00 O ATOM 534 ND2 ASN A 34 -9.378 -3.341 4.705 1.00 0.00 N ATOM 0 H ASN A 34 -7.145 -5.438 4.608 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.120 -3.252 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.322 -1.934 3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.789 -3.055 2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.256 -3.850 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.209 -2.501 5.258 1.00 0.00 H new ATOM 541 N ARG A 35 -5.458 -2.392 6.722 1.00 0.00 N ATOM 542 CA ARG A 35 -5.679 -1.866 8.101 1.00 0.00 C ATOM 543 C ARG A 35 -6.349 -0.493 8.027 1.00 0.00 C ATOM 544 O ARG A 35 -5.862 0.410 7.377 1.00 0.00 O ATOM 545 CB ARG A 35 -4.335 -1.734 8.822 1.00 0.00 C ATOM 546 CG ARG A 35 -4.550 -1.076 10.189 1.00 0.00 C ATOM 547 CD ARG A 35 -3.268 -1.175 11.015 1.00 0.00 C ATOM 548 NE ARG A 35 -3.035 -2.596 11.400 1.00 0.00 N ATOM 549 CZ ARG A 35 -1.868 -2.967 11.851 1.00 0.00 C ATOM 550 NH1 ARG A 35 -0.904 -2.097 11.963 1.00 0.00 N ATOM 551 NH2 ARG A 35 -1.667 -4.212 12.189 1.00 0.00 N ATOM 0 H ARG A 35 -4.541 -2.191 6.323 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.321 -2.556 8.649 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.880 -2.716 8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.646 -1.137 8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.831 -0.031 10.060 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.371 -1.565 10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.422 -0.799 10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.348 -0.554 11.907 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.788 -3.278 11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.061 -1.125 11.698 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.008 -2.388 12.316 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.421 -4.893 12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.756 -4.504 12.542 1.00 0.00 H new ATOM 565 N THR A 36 -7.458 -0.321 8.701 1.00 0.00 N ATOM 566 CA THR A 36 -8.152 1.002 8.680 1.00 0.00 C ATOM 567 C THR A 36 -7.687 1.822 9.888 1.00 0.00 C ATOM 568 O THR A 36 -7.245 1.284 10.885 1.00 0.00 O ATOM 569 CB THR A 36 -9.683 0.790 8.746 1.00 0.00 C ATOM 570 OG1 THR A 36 -9.955 -0.503 9.266 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.298 0.909 7.345 1.00 0.00 C ATOM 0 H THR A 36 -7.913 -1.039 9.265 1.00 0.00 H new ATOM 0 HA THR A 36 -7.910 1.533 7.759 1.00 0.00 H new ATOM 0 HB THR A 36 -10.118 1.553 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.924 -0.640 9.311 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.376 0.758 7.407 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.093 1.900 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.862 0.154 6.691 1.00 0.00 H new ATOM 579 N ARG A 37 -7.782 3.120 9.801 1.00 0.00 N ATOM 580 CA ARG A 37 -7.348 3.985 10.934 1.00 0.00 C ATOM 581 C ARG A 37 -8.175 5.276 10.932 1.00 0.00 C ATOM 582 O ARG A 37 -9.363 5.267 11.187 1.00 0.00 O ATOM 583 CB ARG A 37 -5.861 4.320 10.763 1.00 0.00 C ATOM 584 CG ARG A 37 -5.329 4.990 12.038 1.00 0.00 C ATOM 585 CD ARG A 37 -4.024 5.732 11.735 1.00 0.00 C ATOM 586 NE ARG A 37 -3.157 4.901 10.834 1.00 0.00 N ATOM 587 CZ ARG A 37 -2.806 3.682 11.152 1.00 0.00 C ATOM 588 NH1 ARG A 37 -3.049 3.214 12.346 1.00 0.00 N ATOM 589 NH2 ARG A 37 -2.160 2.947 10.289 1.00 0.00 N ATOM 0 H ARG A 37 -8.143 3.621 8.990 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.498 3.465 11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.296 3.411 10.556 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.724 4.983 9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.071 5.687 12.429 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.159 4.239 12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.242 6.689 11.262 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.495 5.949 12.663 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.834 5.297 9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.516 3.800 13.038 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.772 2.262 12.587 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.930 3.324 9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.885 1.996 10.534 1.00 0.00 H new ATOM 603 N ALA A 38 -7.550 6.379 10.643 1.00 0.00 N ATOM 604 CA ALA A 38 -8.266 7.678 10.614 1.00 0.00 C ATOM 605 C ALA A 38 -7.350 8.699 9.946 1.00 0.00 C ATOM 606 O ALA A 38 -7.369 9.874 10.255 1.00 0.00 O ATOM 607 CB ALA A 38 -8.585 8.122 12.043 1.00 0.00 C ATOM 0 H ALA A 38 -6.556 6.435 10.422 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.202 7.588 10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.111 9.076 12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.214 7.373 12.525 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.658 8.233 12.605 1.00 0.00 H new ATOM 613 N GLY A 39 -6.538 8.243 9.030 1.00 0.00 N ATOM 614 CA GLY A 39 -5.600 9.164 8.329 1.00 0.00 C ATOM 615 C GLY A 39 -6.384 10.324 7.727 1.00 0.00 C ATOM 616 O GLY A 39 -5.821 11.310 7.295 1.00 0.00 O ATOM 0 H GLY A 39 -6.485 7.268 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.852 9.540 9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.064 8.628 7.546 1.00 0.00 H new ATOM 620 N VAL A 40 -7.684 10.216 7.697 1.00 0.00 N ATOM 621 CA VAL A 40 -8.513 11.317 7.127 1.00 0.00 C ATOM 622 C VAL A 40 -8.893 12.284 8.247 1.00 0.00 C ATOM 623 O VAL A 40 -9.989 12.805 8.289 1.00 0.00 O ATOM 624 CB VAL A 40 -9.774 10.738 6.493 1.00 0.00 C ATOM 625 CG1 VAL A 40 -9.417 10.054 5.173 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.406 9.719 7.438 1.00 0.00 C ATOM 0 H VAL A 40 -8.209 9.413 8.043 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.945 11.847 6.362 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.483 11.545 6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.319 9.641 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.972 10.782 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.705 9.251 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.306 9.308 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.697 8.914 7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.666 10.207 8.378 1.00 0.00 H new ATOM 636 N LYS A 41 -7.980 12.518 9.152 1.00 0.00 N ATOM 637 CA LYS A 41 -8.234 13.450 10.293 1.00 0.00 C ATOM 638 C LYS A 41 -9.328 12.894 11.206 1.00 0.00 C ATOM 639 O LYS A 41 -9.511 13.359 12.315 1.00 0.00 O ATOM 640 CB LYS A 41 -8.651 14.833 9.775 1.00 0.00 C ATOM 641 CG LYS A 41 -7.700 15.272 8.653 1.00 0.00 C ATOM 642 CD LYS A 41 -8.086 16.678 8.154 1.00 0.00 C ATOM 643 CE LYS A 41 -7.440 17.752 9.038 1.00 0.00 C ATOM 644 NZ LYS A 41 -5.961 17.574 9.039 1.00 0.00 N ATOM 0 H LYS A 41 -7.052 12.095 9.149 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.310 13.547 10.863 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.676 14.800 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.629 15.559 10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.673 15.276 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.744 14.560 7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.764 16.806 7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.170 16.791 8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.697 18.745 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.826 17.681 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.500 18.499 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.687 16.951 9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.662 17.147 8.139 1.00 0.00 H new ATOM 658 N GLY A 42 -10.056 11.901 10.768 1.00 0.00 N ATOM 659 CA GLY A 42 -11.129 11.328 11.639 1.00 0.00 C ATOM 660 C GLY A 42 -12.263 10.756 10.784 1.00 0.00 C ATOM 661 O GLY A 42 -13.272 11.396 10.568 1.00 0.00 O ATOM 0 H GLY A 42 -9.957 11.463 9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.712 10.545 12.272 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.519 12.100 12.302 1.00 0.00 H new ATOM 665 N GLY A 43 -12.114 9.550 10.306 1.00 0.00 N ATOM 666 CA GLY A 43 -13.191 8.939 9.480 1.00 0.00 C ATOM 667 C GLY A 43 -12.873 7.462 9.246 1.00 0.00 C ATOM 668 O GLY A 43 -13.358 6.597 9.946 1.00 0.00 O ATOM 0 H GLY A 43 -11.293 8.963 10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.153 9.040 9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.274 9.460 8.526 1.00 0.00 H new ATOM 672 N LYS A 44 -12.056 7.176 8.270 1.00 0.00 N ATOM 673 CA LYS A 44 -11.690 5.762 7.971 1.00 0.00 C ATOM 674 C LYS A 44 -10.691 5.738 6.812 1.00 0.00 C ATOM 675 O LYS A 44 -11.067 5.721 5.657 1.00 0.00 O ATOM 676 CB LYS A 44 -12.945 4.971 7.574 1.00 0.00 C ATOM 677 CG LYS A 44 -12.544 3.576 7.089 1.00 0.00 C ATOM 678 CD LYS A 44 -13.783 2.677 7.027 1.00 0.00 C ATOM 679 CE LYS A 44 -14.806 3.265 6.048 1.00 0.00 C ATOM 680 NZ LYS A 44 -15.578 4.345 6.727 1.00 0.00 N ATOM 0 H LYS A 44 -11.622 7.869 7.660 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.245 5.308 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.620 4.890 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.485 5.498 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.080 3.642 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.803 3.145 7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.499 1.673 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.226 2.585 8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.298 3.663 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.482 2.484 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.592 4.225 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.418 4.293 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.263 5.271 6.374 1.00 0.00 H new ATOM 694 N ALA A 45 -9.420 5.727 7.110 1.00 0.00 N ATOM 695 CA ALA A 45 -8.394 5.695 6.025 1.00 0.00 C ATOM 696 C ALA A 45 -8.053 4.239 5.716 1.00 0.00 C ATOM 697 O ALA A 45 -7.617 3.504 6.577 1.00 0.00 O ATOM 698 CB ALA A 45 -7.135 6.427 6.492 1.00 0.00 C ATOM 0 H ALA A 45 -9.046 5.739 8.059 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.782 6.184 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.386 6.404 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.382 7.462 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.738 5.937 7.381 1.00 0.00 H new ATOM 704 N ILE A 46 -8.250 3.810 4.500 1.00 0.00 N ATOM 705 CA ILE A 46 -7.939 2.392 4.154 1.00 0.00 C ATOM 706 C ILE A 46 -6.457 2.264 3.804 1.00 0.00 C ATOM 707 O ILE A 46 -5.809 3.220 3.428 1.00 0.00 O ATOM 708 CB ILE A 46 -8.788 1.959 2.954 1.00 0.00 C ATOM 709 CG1 ILE A 46 -8.591 0.460 2.702 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.359 2.745 1.715 1.00 0.00 C ATOM 711 CD1 ILE A 46 -9.551 -0.013 1.606 1.00 0.00 C ATOM 0 H ILE A 46 -8.611 4.377 3.733 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.166 1.753 5.008 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.839 2.157 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.561 0.264 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.770 -0.099 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.963 2.437 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.500 3.811 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.308 2.548 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.407 -1.079 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.579 0.167 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.351 0.536 0.686 1.00 0.00 H new ATOM 723 N GLU A 47 -5.920 1.083 3.930 1.00 0.00 N ATOM 724 CA GLU A 47 -4.480 0.866 3.615 1.00 0.00 C ATOM 725 C GLU A 47 -4.307 -0.548 3.060 1.00 0.00 C ATOM 726 O GLU A 47 -5.220 -1.346 3.088 1.00 0.00 O ATOM 727 CB GLU A 47 -3.658 1.018 4.902 1.00 0.00 C ATOM 728 CG GLU A 47 -3.431 2.503 5.198 1.00 0.00 C ATOM 729 CD GLU A 47 -2.598 2.648 6.473 1.00 0.00 C ATOM 730 OE1 GLU A 47 -1.694 1.851 6.659 1.00 0.00 O ATOM 731 OE2 GLU A 47 -2.879 3.554 7.240 1.00 0.00 O ATOM 0 H GLU A 47 -6.422 0.251 4.241 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.140 1.595 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.179 0.547 5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.700 0.508 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.919 2.977 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.388 3.012 5.316 1.00 0.00 H new ATOM 738 N TYR A 48 -3.142 -0.863 2.552 1.00 0.00 N ATOM 739 CA TYR A 48 -2.897 -2.232 1.994 1.00 0.00 C ATOM 740 C TYR A 48 -1.532 -2.735 2.469 1.00 0.00 C ATOM 741 O TYR A 48 -0.529 -2.070 2.316 1.00 0.00 O ATOM 742 CB TYR A 48 -2.917 -2.172 0.468 1.00 0.00 C ATOM 743 CG TYR A 48 -4.296 -1.763 0.004 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.393 -2.617 0.226 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.486 -0.529 -0.650 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.679 -2.239 -0.204 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.771 -0.152 -1.081 1.00 0.00 C ATOM 748 CZ TYR A 48 -6.868 -1.006 -0.858 1.00 0.00 C ATOM 749 OH TYR A 48 -8.128 -0.635 -1.279 1.00 0.00 O ATOM 0 H TYR A 48 -2.345 -0.229 2.499 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.676 -2.912 2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.174 -1.459 0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.653 -3.144 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.248 -3.563 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.645 0.127 -0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.520 -2.894 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.916 0.793 -1.583 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.205 0.342 -1.259 1.00 0.00 H new ATOM 759 N ASN A 49 -1.483 -3.907 3.040 1.00 0.00 N ATOM 760 CA ASN A 49 -0.177 -4.443 3.519 1.00 0.00 C ATOM 761 C ASN A 49 0.646 -4.921 2.317 1.00 0.00 C ATOM 762 O ASN A 49 0.207 -5.739 1.534 1.00 0.00 O ATOM 763 CB ASN A 49 -0.430 -5.608 4.476 1.00 0.00 C ATOM 764 CG ASN A 49 0.900 -6.078 5.069 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.928 -5.993 4.428 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.923 -6.573 6.276 1.00 0.00 N ATOM 0 H ASN A 49 -2.287 -4.515 3.195 1.00 0.00 H new ATOM 0 HA ASN A 49 0.375 -3.662 4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.106 -5.298 5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.915 -6.428 3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.804 -6.889 6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.060 -6.644 6.814 1.00 0.00 H new ATOM 773 N ALA A 50 1.834 -4.399 2.161 1.00 0.00 N ATOM 774 CA ALA A 50 2.693 -4.798 1.006 1.00 0.00 C ATOM 775 C ALA A 50 2.878 -6.317 0.968 1.00 0.00 C ATOM 776 O ALA A 50 2.964 -6.909 -0.089 1.00 0.00 O ATOM 777 CB ALA A 50 4.062 -4.128 1.143 1.00 0.00 C ATOM 0 H ALA A 50 2.249 -3.709 2.787 1.00 0.00 H new ATOM 0 HA ALA A 50 2.208 -4.481 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.694 -4.416 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.938 -3.045 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.531 -4.445 2.074 1.00 0.00 H new ATOM 783 N ASN A 51 2.955 -6.956 2.103 1.00 0.00 N ATOM 784 CA ASN A 51 3.149 -8.434 2.105 1.00 0.00 C ATOM 785 C ASN A 51 1.879 -9.125 1.601 1.00 0.00 C ATOM 786 O ASN A 51 1.895 -10.284 1.238 1.00 0.00 O ATOM 787 CB ASN A 51 3.467 -8.911 3.526 1.00 0.00 C ATOM 788 CG ASN A 51 2.297 -8.588 4.459 1.00 0.00 C ATOM 789 OD1 ASN A 51 1.169 -8.468 4.023 1.00 0.00 O ATOM 790 ND2 ASN A 51 2.521 -8.444 5.736 1.00 0.00 N ATOM 0 H ASN A 51 2.892 -6.522 3.024 1.00 0.00 H new ATOM 0 HA ASN A 51 3.980 -8.687 1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.657 -9.984 3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.375 -8.427 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.750 -8.231 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.468 -8.545 6.102 1.00 0.00 H new ATOM 797 N SER A 52 0.778 -8.424 1.577 1.00 0.00 N ATOM 798 CA SER A 52 -0.495 -9.039 1.097 1.00 0.00 C ATOM 799 C SER A 52 -0.635 -8.827 -0.414 1.00 0.00 C ATOM 800 O SER A 52 -1.320 -9.566 -1.091 1.00 0.00 O ATOM 801 CB SER A 52 -1.673 -8.386 1.817 1.00 0.00 C ATOM 802 OG SER A 52 -1.529 -8.574 3.219 1.00 0.00 O ATOM 0 H SER A 52 0.704 -7.450 1.870 1.00 0.00 H new ATOM 0 HA SER A 52 -0.484 -10.108 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.713 -7.322 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.611 -8.823 1.474 1.00 0.00 H new ATOM 0 HG SER A 52 -0.583 -8.501 3.463 1.00 0.00 H new ATOM 808 N LEU A 53 0.009 -7.823 -0.950 1.00 0.00 N ATOM 809 CA LEU A 53 -0.095 -7.572 -2.417 1.00 0.00 C ATOM 810 C LEU A 53 0.600 -8.724 -3.173 1.00 0.00 C ATOM 811 O LEU A 53 1.561 -9.272 -2.670 1.00 0.00 O ATOM 812 CB LEU A 53 0.612 -6.252 -2.755 1.00 0.00 C ATOM 813 CG LEU A 53 0.007 -5.102 -1.940 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.733 -3.804 -2.297 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.491 -4.959 -2.259 1.00 0.00 C ATOM 0 H LEU A 53 0.600 -7.169 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.143 -7.513 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.678 -6.337 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.516 -6.042 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 53 0.122 -5.312 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.310 -2.980 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.793 -3.903 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.615 -3.602 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.911 -4.140 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.618 -4.750 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.007 -5.886 -2.007 1.00 0.00 H new ATOM 827 N PRO A 54 0.124 -9.068 -4.361 1.00 0.00 N ATOM 828 CA PRO A 54 0.750 -10.150 -5.143 1.00 0.00 C ATOM 829 C PRO A 54 2.235 -9.832 -5.369 1.00 0.00 C ATOM 830 O PRO A 54 2.786 -8.932 -4.768 1.00 0.00 O ATOM 831 CB PRO A 54 -0.030 -10.184 -6.481 1.00 0.00 C ATOM 832 CG PRO A 54 -1.101 -9.057 -6.424 1.00 0.00 C ATOM 833 CD PRO A 54 -1.042 -8.431 -5.013 1.00 0.00 C ATOM 0 HA PRO A 54 0.709 -11.115 -4.638 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.645 -10.030 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.503 -11.156 -6.625 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.905 -8.303 -7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.094 -9.461 -6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.922 -7.349 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.959 -8.624 -4.457 1.00 0.00 H new ATOM 841 N VAL A 55 2.880 -10.562 -6.236 1.00 0.00 N ATOM 842 CA VAL A 55 4.323 -10.307 -6.511 1.00 0.00 C ATOM 843 C VAL A 55 4.451 -9.242 -7.600 1.00 0.00 C ATOM 844 O VAL A 55 5.354 -8.430 -7.588 1.00 0.00 O ATOM 845 CB VAL A 55 4.981 -11.597 -6.993 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.488 -11.381 -7.138 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.721 -12.712 -5.978 1.00 0.00 C ATOM 0 H VAL A 55 2.468 -11.328 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 55 4.812 -9.962 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 55 4.561 -11.878 -7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.956 -12.303 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.674 -10.587 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.910 -11.098 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.191 -13.634 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.140 -12.430 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.647 -12.868 -5.876 1.00 0.00 H new ATOM 857 N GLU A 56 3.554 -9.245 -8.547 1.00 0.00 N ATOM 858 CA GLU A 56 3.622 -8.239 -9.643 1.00 0.00 C ATOM 859 C GLU A 56 3.545 -6.833 -9.047 1.00 0.00 C ATOM 860 O GLU A 56 4.223 -5.925 -9.485 1.00 0.00 O ATOM 861 CB GLU A 56 2.451 -8.448 -10.609 1.00 0.00 C ATOM 862 CG GLU A 56 2.399 -9.914 -11.066 1.00 0.00 C ATOM 863 CD GLU A 56 1.694 -10.767 -10.008 1.00 0.00 C ATOM 864 OE1 GLU A 56 0.561 -10.455 -9.682 1.00 0.00 O ATOM 865 OE2 GLU A 56 2.301 -11.718 -9.543 1.00 0.00 O ATOM 0 H GLU A 56 2.776 -9.902 -8.609 1.00 0.00 H new ATOM 0 HA GLU A 56 4.561 -8.356 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.514 -8.178 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.561 -7.793 -11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.871 -9.989 -12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.409 -10.288 -11.232 1.00 0.00 H new ATOM 872 N ALA A 57 2.723 -6.644 -8.051 1.00 0.00 N ATOM 873 CA ALA A 57 2.603 -5.295 -7.429 1.00 0.00 C ATOM 874 C ALA A 57 3.740 -5.089 -6.426 1.00 0.00 C ATOM 875 O ALA A 57 4.175 -3.980 -6.189 1.00 0.00 O ATOM 876 CB ALA A 57 1.257 -5.183 -6.709 1.00 0.00 C ATOM 0 H ALA A 57 2.130 -7.365 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 57 2.664 -4.532 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.169 -4.196 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.448 -5.326 -7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.194 -5.947 -5.934 1.00 0.00 H new ATOM 882 N LYS A 58 4.225 -6.146 -5.833 1.00 0.00 N ATOM 883 CA LYS A 58 5.331 -5.998 -4.847 1.00 0.00 C ATOM 884 C LYS A 58 6.572 -5.453 -5.557 1.00 0.00 C ATOM 885 O LYS A 58 7.209 -4.531 -5.091 1.00 0.00 O ATOM 886 CB LYS A 58 5.647 -7.359 -4.221 1.00 0.00 C ATOM 887 CG LYS A 58 6.647 -7.174 -3.075 1.00 0.00 C ATOM 888 CD LYS A 58 6.737 -8.464 -2.245 1.00 0.00 C ATOM 889 CE LYS A 58 5.424 -8.714 -1.479 1.00 0.00 C ATOM 890 NZ LYS A 58 5.726 -9.446 -0.216 1.00 0.00 N ATOM 0 H LYS A 58 3.904 -7.102 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 58 5.030 -5.305 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.733 -7.821 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.060 -8.030 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.629 -6.920 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.336 -6.344 -2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.948 -9.309 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.566 -8.392 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.933 -7.767 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.735 -9.293 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.902 -10.018 0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.546 -10.068 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.940 -8.763 0.538 1.00 0.00 H new ATOM 904 N ALA A 59 6.918 -6.008 -6.685 1.00 0.00 N ATOM 905 CA ALA A 59 8.112 -5.502 -7.418 1.00 0.00 C ATOM 906 C ALA A 59 7.825 -4.082 -7.907 1.00 0.00 C ATOM 907 O ALA A 59 8.632 -3.184 -7.762 1.00 0.00 O ATOM 908 CB ALA A 59 8.401 -6.410 -8.617 1.00 0.00 C ATOM 0 H ALA A 59 6.429 -6.785 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 59 8.979 -5.498 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.275 -6.039 -9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.594 -7.424 -8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.540 -6.414 -9.286 1.00 0.00 H new ATOM 914 N ALA A 60 6.671 -3.872 -8.479 1.00 0.00 N ATOM 915 CA ALA A 60 6.321 -2.513 -8.972 1.00 0.00 C ATOM 916 C ALA A 60 6.193 -1.566 -7.778 1.00 0.00 C ATOM 917 O ALA A 60 6.405 -0.374 -7.893 1.00 0.00 O ATOM 918 CB ALA A 60 4.991 -2.571 -9.726 1.00 0.00 C ATOM 0 H ALA A 60 5.956 -4.584 -8.626 1.00 0.00 H new ATOM 0 HA ALA A 60 7.100 -2.152 -9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.734 -1.575 -10.088 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.082 -3.252 -10.572 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.208 -2.927 -9.056 1.00 0.00 H new ATOM 924 N LEU A 61 5.854 -2.084 -6.628 1.00 0.00 N ATOM 925 CA LEU A 61 5.722 -1.208 -5.431 1.00 0.00 C ATOM 926 C LEU A 61 7.083 -0.576 -5.137 1.00 0.00 C ATOM 927 O LEU A 61 7.171 0.561 -4.723 1.00 0.00 O ATOM 928 CB LEU A 61 5.251 -2.041 -4.230 1.00 0.00 C ATOM 929 CG LEU A 61 5.228 -1.183 -2.955 1.00 0.00 C ATOM 930 CD1 LEU A 61 4.338 0.052 -3.163 1.00 0.00 C ATOM 931 CD2 LEU A 61 4.679 -2.030 -1.801 1.00 0.00 C ATOM 0 H LEU A 61 5.664 -3.073 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 61 4.988 -0.424 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.256 -2.440 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.914 -2.894 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 61 6.238 -0.847 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.330 0.652 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.730 0.648 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.322 -0.267 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.657 -1.433 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.669 -2.362 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.320 -2.899 -1.650 1.00 0.00 H new ATOM 943 N LEU A 62 8.149 -1.300 -5.356 1.00 0.00 N ATOM 944 CA LEU A 62 9.498 -0.723 -5.099 1.00 0.00 C ATOM 945 C LEU A 62 9.739 0.422 -6.082 1.00 0.00 C ATOM 946 O LEU A 62 10.189 1.488 -5.711 1.00 0.00 O ATOM 947 CB LEU A 62 10.573 -1.798 -5.286 1.00 0.00 C ATOM 948 CG LEU A 62 10.168 -3.078 -4.546 1.00 0.00 C ATOM 949 CD1 LEU A 62 11.347 -4.051 -4.536 1.00 0.00 C ATOM 950 CD2 LEU A 62 9.772 -2.743 -3.101 1.00 0.00 C ATOM 0 H LEU A 62 8.143 -2.260 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 62 9.548 -0.352 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.708 -2.009 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.530 -1.437 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 62 9.318 -3.533 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.062 -4.962 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.626 -4.295 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.195 -3.590 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.485 -3.657 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.618 -2.284 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.931 -2.049 -3.106 1.00 0.00 H new ATOM 962 N LEU A 63 9.428 0.218 -7.334 1.00 0.00 N ATOM 963 CA LEU A 63 9.627 1.308 -8.332 1.00 0.00 C ATOM 964 C LEU A 63 8.671 2.450 -7.988 1.00 0.00 C ATOM 965 O LEU A 63 8.920 3.602 -8.280 1.00 0.00 O ATOM 966 CB LEU A 63 9.317 0.783 -9.739 1.00 0.00 C ATOM 967 CG LEU A 63 10.509 -0.014 -10.271 1.00 0.00 C ATOM 968 CD1 LEU A 63 10.705 -1.278 -9.431 1.00 0.00 C ATOM 969 CD2 LEU A 63 10.249 -0.405 -11.727 1.00 0.00 C ATOM 0 H LEU A 63 9.047 -0.651 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 63 10.659 1.658 -8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.429 0.152 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.098 1.616 -10.407 1.00 0.00 H new ATOM 0 HG LEU A 63 11.408 0.599 -10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.555 -1.842 -9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.892 -1.000 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.807 -1.894 -9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.097 -0.973 -12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.348 -1.016 -11.784 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.116 0.495 -12.327 1.00 0.00 H new ATOM 981 N ARG A 64 7.579 2.125 -7.356 1.00 0.00 N ATOM 982 CA ARG A 64 6.590 3.167 -6.966 1.00 0.00 C ATOM 983 C ARG A 64 7.152 3.957 -5.780 1.00 0.00 C ATOM 984 O ARG A 64 7.409 5.140 -5.875 1.00 0.00 O ATOM 985 CB ARG A 64 5.282 2.470 -6.567 1.00 0.00 C ATOM 986 CG ARG A 64 4.173 3.498 -6.252 1.00 0.00 C ATOM 987 CD ARG A 64 3.466 3.958 -7.536 1.00 0.00 C ATOM 988 NE ARG A 64 4.352 4.885 -8.319 1.00 0.00 N ATOM 989 CZ ARG A 64 4.787 6.012 -7.819 1.00 0.00 C ATOM 990 NH1 ARG A 64 4.340 6.446 -6.673 1.00 0.00 N ATOM 991 NH2 ARG A 64 5.639 6.733 -8.496 1.00 0.00 N ATOM 0 H ARG A 64 7.327 1.173 -7.090 1.00 0.00 H new ATOM 0 HA ARG A 64 6.398 3.851 -7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.955 1.815 -7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.455 1.839 -5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.446 3.056 -5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.605 4.359 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.206 3.093 -8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.533 4.463 -7.284 1.00 0.00 H new ATOM 0 HE ARG A 64 4.622 4.628 -9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.645 5.905 -6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.686 7.326 -6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.962 6.416 -9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.982 7.613 -8.111 1.00 0.00 H new ATOM 1005 N GLN A 65 7.356 3.305 -4.669 1.00 0.00 N ATOM 1006 CA GLN A 65 7.912 4.006 -3.481 1.00 0.00 C ATOM 1007 C GLN A 65 9.320 4.511 -3.812 1.00 0.00 C ATOM 1008 O GLN A 65 9.812 4.331 -4.908 1.00 0.00 O ATOM 1009 CB GLN A 65 7.980 3.021 -2.308 1.00 0.00 C ATOM 1010 CG GLN A 65 6.589 2.861 -1.688 1.00 0.00 C ATOM 1011 CD GLN A 65 6.216 4.137 -0.932 1.00 0.00 C ATOM 1012 OE1 GLN A 65 5.604 5.029 -1.485 1.00 0.00 O ATOM 1013 NE2 GLN A 65 6.561 4.263 0.320 1.00 0.00 N ATOM 0 H GLN A 65 7.160 2.313 -4.534 1.00 0.00 H new ATOM 0 HA GLN A 65 7.277 4.850 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.349 2.055 -2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.684 3.382 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.853 2.659 -2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.578 2.008 -1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.075 3.515 0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.317 5.110 0.834 1.00 0.00 H new ATOM 1022 N GLY A 66 9.972 5.142 -2.873 1.00 0.00 N ATOM 1023 CA GLY A 66 11.348 5.657 -3.135 1.00 0.00 C ATOM 1024 C GLY A 66 11.657 6.802 -2.171 1.00 0.00 C ATOM 1025 O GLY A 66 12.612 6.754 -1.421 1.00 0.00 O ATOM 0 H GLY A 66 9.612 5.323 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.077 4.856 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.428 6.004 -4.165 1.00 0.00 H new ATOM 1029 N GLU A 67 10.856 7.832 -2.182 1.00 0.00 N ATOM 1030 CA GLU A 67 11.103 8.978 -1.265 1.00 0.00 C ATOM 1031 C GLU A 67 11.132 8.477 0.179 1.00 0.00 C ATOM 1032 O GLU A 67 12.181 8.357 0.783 1.00 0.00 O ATOM 1033 CB GLU A 67 9.983 10.010 -1.422 1.00 0.00 C ATOM 1034 CG GLU A 67 10.038 10.612 -2.829 1.00 0.00 C ATOM 1035 CD GLU A 67 9.088 11.809 -2.909 1.00 0.00 C ATOM 1036 OE1 GLU A 67 8.984 12.524 -1.927 1.00 0.00 O ATOM 1037 OE2 GLU A 67 8.481 11.989 -3.952 1.00 0.00 O ATOM 0 H GLU A 67 10.041 7.929 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 67 12.059 9.439 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.014 9.540 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.090 10.796 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.056 10.925 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.758 9.862 -3.568 1.00 0.00 H new ATOM 1044 N ILE A 68 9.986 8.191 0.737 1.00 0.00 N ATOM 1045 CA ILE A 68 9.924 7.698 2.146 1.00 0.00 C ATOM 1046 C ILE A 68 10.641 8.676 3.086 1.00 0.00 C ATOM 1047 O ILE A 68 10.664 8.483 4.284 1.00 0.00 O ATOM 1048 CB ILE A 68 10.590 6.310 2.235 1.00 0.00 C ATOM 1049 CG1 ILE A 68 9.705 5.268 1.510 1.00 0.00 C ATOM 1050 CG2 ILE A 68 10.770 5.911 3.712 1.00 0.00 C ATOM 1051 CD1 ILE A 68 10.560 4.083 1.034 1.00 0.00 C ATOM 0 H ILE A 68 9.082 8.278 0.274 1.00 0.00 H new ATOM 0 HA ILE A 68 8.880 7.623 2.449 1.00 0.00 H new ATOM 0 HB ILE A 68 11.569 6.346 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.923 4.915 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 68 9.208 5.732 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 68 11.241 4.930 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.400 6.646 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.796 5.875 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 68 9.925 3.357 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 68 11.326 4.440 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.036 3.610 1.893 1.00 0.00 H new ATOM 1063 N GLU A 69 11.222 9.722 2.560 1.00 0.00 N ATOM 1064 CA GLU A 69 11.934 10.696 3.432 1.00 0.00 C ATOM 1065 C GLU A 69 12.948 9.946 4.302 1.00 0.00 C ATOM 1066 O GLU A 69 12.990 8.733 4.317 1.00 0.00 O ATOM 1067 CB GLU A 69 10.926 11.429 4.323 1.00 0.00 C ATOM 1068 CG GLU A 69 9.951 12.218 3.446 1.00 0.00 C ATOM 1069 CD GLU A 69 9.026 11.248 2.708 1.00 0.00 C ATOM 1070 OE1 GLU A 69 8.271 10.559 3.372 1.00 0.00 O ATOM 1071 OE2 GLU A 69 9.091 11.212 1.490 1.00 0.00 O ATOM 0 H GLU A 69 11.233 9.942 1.564 1.00 0.00 H new ATOM 0 HA GLU A 69 12.455 11.427 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.381 10.714 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.448 12.103 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.364 12.900 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.502 12.828 2.730 1.00 0.00 H new ATOM 1078 N THR A 70 13.770 10.660 5.024 1.00 0.00 N ATOM 1079 CA THR A 70 14.788 9.993 5.891 1.00 0.00 C ATOM 1080 C THR A 70 15.465 8.856 5.116 1.00 0.00 C ATOM 1081 O THR A 70 16.405 9.073 4.378 1.00 0.00 O ATOM 1082 CB THR A 70 14.102 9.433 7.143 1.00 0.00 C ATOM 1083 OG1 THR A 70 13.475 10.495 7.849 1.00 0.00 O ATOM 1084 CG2 THR A 70 15.141 8.764 8.045 1.00 0.00 C ATOM 0 H THR A 70 13.781 11.680 5.052 1.00 0.00 H new ATOM 0 HA THR A 70 15.544 10.720 6.187 1.00 0.00 H new ATOM 0 HB THR A 70 13.354 8.696 6.848 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.034 10.140 8.649 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.650 8.367 8.934 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.623 7.950 7.503 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.891 9.497 8.342 1.00 0.00 H new ATOM 1092 N SER A 71 14.989 7.648 5.272 1.00 0.00 N ATOM 1093 CA SER A 71 15.596 6.496 4.543 1.00 0.00 C ATOM 1094 C SER A 71 17.068 6.343 4.938 1.00 0.00 C ATOM 1095 O SER A 71 17.775 7.312 5.133 1.00 0.00 O ATOM 1096 CB SER A 71 15.487 6.731 3.034 1.00 0.00 C ATOM 1097 OG SER A 71 15.639 5.490 2.356 1.00 0.00 O ATOM 0 H SER A 71 14.202 7.409 5.876 1.00 0.00 H new ATOM 0 HA SER A 71 15.062 5.583 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.522 7.176 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.253 7.434 2.707 1.00 0.00 H new ATOM 0 HG SER A 71 15.568 5.635 1.389 1.00 0.00 H new ATOM 1103 N LEU A 72 17.535 5.130 5.054 1.00 0.00 N ATOM 1104 CA LEU A 72 18.956 4.907 5.432 1.00 0.00 C ATOM 1105 C LEU A 72 19.834 5.045 4.188 1.00 0.00 C ATOM 1106 O LEU A 72 19.351 5.266 3.095 1.00 0.00 O ATOM 1107 CB LEU A 72 19.118 3.499 6.017 1.00 0.00 C ATOM 1108 CG LEU A 72 18.000 3.196 7.037 1.00 0.00 C ATOM 1109 CD1 LEU A 72 17.861 4.373 8.017 1.00 0.00 C ATOM 1110 CD2 LEU A 72 16.643 2.923 6.326 1.00 0.00 C ATOM 0 H LEU A 72 16.990 4.281 4.902 1.00 0.00 H new ATOM 0 HA LEU A 72 19.255 5.644 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.093 2.762 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 72 20.091 3.411 6.501 1.00 0.00 H new ATOM 0 HG LEU A 72 18.273 2.296 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.071 4.156 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.803 4.519 8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.611 5.279 7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.877 2.713 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.354 3.799 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.747 2.065 5.661 1.00 0.00 H new ATOM 1122 N GLY A 73 21.125 4.919 4.344 1.00 0.00 N ATOM 1123 CA GLY A 73 22.033 5.046 3.169 1.00 0.00 C ATOM 1124 C GLY A 73 21.664 6.296 2.369 1.00 0.00 C ATOM 1125 O GLY A 73 21.983 6.418 1.204 1.00 0.00 O ATOM 0 H GLY A 73 21.589 4.734 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 73 23.069 5.108 3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 73 21.953 4.161 2.538 1.00 0.00 H new ATOM 1129 N TYR A 74 20.995 7.230 2.989 1.00 0.00 N ATOM 1130 CA TYR A 74 20.607 8.475 2.263 1.00 0.00 C ATOM 1131 C TYR A 74 21.861 9.301 1.983 1.00 0.00 C ATOM 1132 O TYR A 74 21.843 10.243 1.214 1.00 0.00 O ATOM 1133 CB TYR A 74 19.638 9.289 3.124 1.00 0.00 C ATOM 1134 CG TYR A 74 20.341 9.746 4.381 1.00 0.00 C ATOM 1135 CD1 TYR A 74 20.461 8.873 5.478 1.00 0.00 C ATOM 1136 CD2 TYR A 74 20.879 11.046 4.453 1.00 0.00 C ATOM 1137 CE1 TYR A 74 21.117 9.299 6.649 1.00 0.00 C ATOM 1138 CE2 TYR A 74 21.534 11.472 5.624 1.00 0.00 C ATOM 1139 CZ TYR A 74 21.654 10.599 6.722 1.00 0.00 C ATOM 1140 OH TYR A 74 22.297 11.016 7.869 1.00 0.00 O ATOM 0 H TYR A 74 20.701 7.186 3.965 1.00 0.00 H new ATOM 0 HA TYR A 74 20.120 8.216 1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 74 19.274 10.151 2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 74 18.768 8.685 3.381 1.00 0.00 H new ATOM 0 HD1 TYR A 74 20.050 7.876 5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 74 20.789 11.715 3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 74 21.208 8.629 7.491 1.00 0.00 H new ATOM 0 HE2 TYR A 74 21.945 12.469 5.680 1.00 0.00 H new ATOM 0 HH TYR A 74 22.609 11.938 7.753 1.00 0.00 H new ATOM 1150 N PHE A 75 22.950 8.950 2.605 1.00 0.00 N ATOM 1151 CA PHE A 75 24.218 9.701 2.390 1.00 0.00 C ATOM 1152 C PHE A 75 25.358 8.971 3.105 1.00 0.00 C ATOM 1153 O PHE A 75 26.506 9.062 2.717 1.00 0.00 O ATOM 1154 CB PHE A 75 24.085 11.116 2.960 1.00 0.00 C ATOM 1155 CG PHE A 75 25.366 11.877 2.721 1.00 0.00 C ATOM 1156 CD1 PHE A 75 25.636 12.417 1.448 1.00 0.00 C ATOM 1157 CD2 PHE A 75 26.294 12.048 3.768 1.00 0.00 C ATOM 1158 CE1 PHE A 75 26.831 13.128 1.223 1.00 0.00 C ATOM 1159 CE2 PHE A 75 27.488 12.759 3.542 1.00 0.00 C ATOM 1160 CZ PHE A 75 27.757 13.298 2.269 1.00 0.00 C ATOM 0 H PHE A 75 23.017 8.169 3.258 1.00 0.00 H new ATOM 0 HA PHE A 75 24.428 9.763 1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 75 23.249 11.633 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 75 23.870 11.071 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 75 24.926 12.286 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 75 26.089 11.633 4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.037 13.543 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 75 28.198 12.891 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 75 28.674 13.842 2.096 1.00 0.00 H new ATOM 1170 N GLU A 76 25.048 8.246 4.148 1.00 0.00 N ATOM 1171 CA GLU A 76 26.112 7.508 4.890 1.00 0.00 C ATOM 1172 C GLU A 76 26.338 6.145 4.232 1.00 0.00 C ATOM 1173 O GLU A 76 25.454 5.591 3.609 1.00 0.00 O ATOM 1174 CB GLU A 76 25.671 7.305 6.341 1.00 0.00 C ATOM 1175 CG GLU A 76 25.399 8.665 6.986 1.00 0.00 C ATOM 1176 CD GLU A 76 26.718 9.416 7.173 1.00 0.00 C ATOM 1177 OE1 GLU A 76 27.154 10.053 6.229 1.00 0.00 O ATOM 1178 OE2 GLU A 76 27.271 9.339 8.259 1.00 0.00 O ATOM 1179 OXT GLU A 76 27.516 5.601 4.364 1.00 0.00 O ATOM 0 H GLU A 76 24.104 8.133 4.518 1.00 0.00 H new ATOM 0 HA GLU A 76 27.038 8.082 4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 76 24.773 6.688 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 76 26.445 6.775 6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.723 9.247 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.906 8.530 7.949 1.00 0.00 H new TER 1186 GLU A 76