USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 835 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 29 SER OG : rot -97:sc= 1.78 USER MOD Set 1.2: A 66 TYR OH : rot 141:sc= 0.145 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.766 K(o=1.7,f=-0.8) USER MOD Set 2.2: A 21 SER OG : rot -72:sc= 0.956 USER MOD Single : A 15 GLN : amide:sc= -0.326 K(o=-0.33,f=-3.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -111:sc= -2.26! (180deg=-6.06!) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0132) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0369) USER MOD Single : A 59 TYR OH : rot 110:sc= -0.0904 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.627 K(o=-0.63,f=-3.9!) USER MOD Single : A 70 THR OG1 : rot -130:sc= 0 USER MOD Single : A 78 THR OG1 : rot 61:sc= 0.375 USER MOD Single : A 79 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.084) USER MOD Single : A 80 TYR OH : rot 179:sc= 0.195 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.589 F(o=-7!,f=-0.59) USER MOD Single : A 84 SER OG : rot 53:sc= 0.0157 USER MOD Single : A 87 THR OG1 : rot -83:sc= -0.149 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.2! C(o=-2.2!,f=-4.9!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 46:sc= 0.0966 USER MOD Single : A 106 LYS NZ :NH3+ -123:sc= 0.0493 (180deg=-0.0327) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 108 THR OG1 : rot -150:sc= -0.127 USER MOD Single : A 110 THR OG1 : rot -111:sc= 0.873 USER MOD Single : A 112 SER OG : rot 79:sc= -0.273 USER MOD Single : A 115 LYS NZ :NH3+ -163:sc=-0.00335 (180deg=-0.183) USER MOD Single : A 116 TYR OH : rot 30:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -4.647 -4.657 -10.611 1.00 0.00 N ATOM 2 CA VAL A 14 -5.089 -3.471 -9.886 1.00 0.00 C ATOM 3 C VAL A 14 -4.286 -2.298 -10.430 1.00 0.00 C ATOM 4 O VAL A 14 -3.073 -2.195 -10.218 1.00 0.00 O ATOM 5 CB VAL A 14 -4.878 -3.656 -8.376 1.00 0.00 C ATOM 6 CG1 VAL A 14 -5.069 -2.365 -7.607 1.00 0.00 C ATOM 7 CG2 VAL A 14 -5.814 -4.731 -7.815 1.00 0.00 C ATOM 0 HA VAL A 14 -6.155 -3.292 -10.028 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.844 -3.976 -8.247 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.909 -2.547 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.353 -1.622 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.082 -1.995 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.642 -4.840 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.850 -4.438 -7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.617 -5.681 -8.313 1.00 0.00 H new ATOM 17 N GLN A 15 -4.963 -1.552 -11.284 1.00 0.00 N ATOM 18 CA GLN A 15 -4.464 -0.261 -11.770 1.00 0.00 C ATOM 19 C GLN A 15 -5.302 0.775 -11.028 1.00 0.00 C ATOM 20 O GLN A 15 -6.388 1.151 -11.457 1.00 0.00 O ATOM 21 CB GLN A 15 -4.610 -0.170 -13.285 1.00 0.00 C ATOM 22 CG GLN A 15 -3.419 -0.825 -13.999 1.00 0.00 C ATOM 23 CD GLN A 15 -3.313 -2.360 -13.947 1.00 0.00 C ATOM 24 OE1 GLN A 15 -4.100 -3.123 -13.402 1.00 0.00 O ATOM 25 NE2 GLN A 15 -2.324 -2.834 -14.643 1.00 0.00 N ATOM 0 H GLN A 15 -5.872 -1.815 -11.664 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.401 -0.109 -11.580 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.535 -0.657 -13.594 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.686 0.876 -13.583 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.449 -0.526 -15.047 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.504 -0.411 -13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.669 -2.198 -15.097 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.203 -3.843 -14.736 1.00 0.00 H new ATOM 34 N ASP A 16 -4.893 0.889 -9.767 1.00 0.00 N ATOM 35 CA ASP A 16 -5.582 1.676 -8.719 1.00 0.00 C ATOM 36 C ASP A 16 -6.844 0.995 -8.184 1.00 0.00 C ATOM 37 O ASP A 16 -7.930 1.033 -8.767 1.00 0.00 O ATOM 38 CB ASP A 16 -5.957 3.092 -9.164 1.00 0.00 C ATOM 39 CG ASP A 16 -5.127 4.164 -8.454 1.00 0.00 C ATOM 40 OD1 ASP A 16 -4.812 5.135 -9.165 1.00 0.00 O ATOM 41 OD2 ASP A 16 -4.862 3.983 -7.249 1.00 0.00 O ATOM 0 H ASP A 16 -4.050 0.427 -9.425 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.841 1.739 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.816 3.181 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.015 3.264 -8.966 1.00 0.00 H new ATOM 47 N VAL A 17 -6.660 0.498 -6.975 1.00 0.00 N ATOM 48 CA VAL A 17 -7.732 -0.169 -6.228 1.00 0.00 C ATOM 49 C VAL A 17 -8.834 0.826 -5.827 1.00 0.00 C ATOM 50 O VAL A 17 -8.658 2.039 -5.790 1.00 0.00 O ATOM 51 CB VAL A 17 -7.298 -0.970 -4.987 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.783 -2.412 -5.149 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.815 -0.971 -4.578 1.00 0.00 C ATOM 0 H VAL A 17 -5.771 0.540 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.108 -0.907 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.764 -0.430 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.485 -2.996 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.869 -2.423 -5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.341 -2.846 -6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.684 -1.583 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.214 -1.381 -5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.495 0.050 -4.369 1.00 0.00 H new ATOM 63 N ASN A 18 -10.023 0.253 -5.754 1.00 0.00 N ATOM 64 CA ASN A 18 -11.259 0.950 -5.406 1.00 0.00 C ATOM 65 C ASN A 18 -12.159 -0.022 -4.634 1.00 0.00 C ATOM 66 O ASN A 18 -11.959 -1.238 -4.707 1.00 0.00 O ATOM 67 CB ASN A 18 -11.973 1.480 -6.663 1.00 0.00 C ATOM 68 CG ASN A 18 -12.049 0.443 -7.786 1.00 0.00 C ATOM 69 OD1 ASN A 18 -12.703 -0.597 -7.698 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.158 0.581 -8.741 1.00 0.00 N ATOM 0 H ASN A 18 -10.164 -0.740 -5.940 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.028 1.815 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.982 1.794 -6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.450 2.364 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.007 -0.173 -9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.617 1.443 -8.813 1.00 0.00 H new ATOM 77 N ASP A 19 -13.226 0.515 -4.085 1.00 0.00 N ATOM 78 CA ASP A 19 -14.192 -0.243 -3.252 1.00 0.00 C ATOM 79 C ASP A 19 -14.616 -1.609 -3.797 1.00 0.00 C ATOM 80 O ASP A 19 -14.424 -2.611 -3.118 1.00 0.00 O ATOM 81 CB ASP A 19 -15.415 0.638 -2.932 1.00 0.00 C ATOM 82 CG ASP A 19 -15.092 1.709 -1.887 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.397 1.473 -0.706 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.481 2.730 -2.281 1.00 0.00 O ATOM 0 H ASP A 19 -13.469 1.500 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.651 -0.488 -2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.766 1.117 -3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.229 0.011 -2.569 1.00 0.00 H new ATOM 90 N SER A 20 -14.975 -1.638 -5.080 1.00 0.00 N ATOM 91 CA SER A 20 -15.391 -2.870 -5.785 1.00 0.00 C ATOM 92 C SER A 20 -14.261 -3.925 -5.858 1.00 0.00 C ATOM 93 O SER A 20 -14.408 -5.040 -5.351 1.00 0.00 O ATOM 94 CB SER A 20 -15.866 -2.520 -7.189 1.00 0.00 C ATOM 95 OG SER A 20 -16.809 -1.438 -7.109 1.00 0.00 O ATOM 0 H SER A 20 -14.989 -0.807 -5.671 1.00 0.00 H new ATOM 0 HA SER A 20 -16.205 -3.314 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.019 -2.235 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.329 -3.389 -7.657 1.00 0.00 H new ATOM 0 HG SER A 20 -17.118 -1.206 -8.010 1.00 0.00 H new ATOM 101 N SER A 21 -13.107 -3.499 -6.364 1.00 0.00 N ATOM 102 CA SER A 21 -11.909 -4.359 -6.486 1.00 0.00 C ATOM 103 C SER A 21 -11.242 -4.731 -5.163 1.00 0.00 C ATOM 104 O SER A 21 -10.677 -5.821 -5.057 1.00 0.00 O ATOM 105 CB SER A 21 -10.813 -3.757 -7.367 1.00 0.00 C ATOM 106 OG SER A 21 -10.611 -2.379 -7.039 1.00 0.00 O ATOM 0 H SER A 21 -12.965 -2.548 -6.705 1.00 0.00 H new ATOM 0 HA SER A 21 -12.330 -5.255 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.884 -4.310 -7.231 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.089 -3.851 -8.417 1.00 0.00 H new ATOM 0 HG SER A 21 -11.374 -1.852 -7.356 1.00 0.00 H new ATOM 112 N TRP A 22 -11.388 -3.888 -4.150 1.00 0.00 N ATOM 113 CA TRP A 22 -10.796 -4.073 -2.810 1.00 0.00 C ATOM 114 C TRP A 22 -11.124 -5.464 -2.240 1.00 0.00 C ATOM 115 O TRP A 22 -10.257 -6.331 -2.149 1.00 0.00 O ATOM 116 CB TRP A 22 -11.348 -2.949 -1.936 1.00 0.00 C ATOM 117 CG TRP A 22 -10.763 -2.962 -0.532 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.246 -3.644 0.504 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.592 -2.339 -0.121 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.436 -3.509 1.554 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.410 -2.724 1.213 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.599 -1.606 -0.807 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.216 -2.424 1.884 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.390 -1.330 -0.145 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.201 -1.756 1.186 1.00 0.00 C ATOM 0 H TRP A 22 -11.934 -3.030 -4.228 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.708 -4.025 -2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.134 -1.989 -2.406 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.433 -3.040 -1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.159 -4.221 0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.577 -3.936 2.470 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.765 -1.265 -1.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.081 -2.702 2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.606 -0.791 -0.656 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.258 -1.564 1.676 1.00 0.00 H new ATOM 136 N LYS A 23 -12.415 -5.757 -2.283 1.00 0.00 N ATOM 137 CA LYS A 23 -12.991 -7.016 -1.755 1.00 0.00 C ATOM 138 C LYS A 23 -12.813 -8.252 -2.639 1.00 0.00 C ATOM 139 O LYS A 23 -13.266 -9.346 -2.317 1.00 0.00 O ATOM 140 CB LYS A 23 -14.462 -6.771 -1.401 1.00 0.00 C ATOM 141 CG LYS A 23 -14.498 -5.772 -0.250 1.00 0.00 C ATOM 142 CD LYS A 23 -15.878 -5.164 -0.064 1.00 0.00 C ATOM 143 CE LYS A 23 -15.690 -3.887 0.762 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.276 -4.052 2.091 1.00 0.00 N ATOM 0 H LYS A 23 -13.112 -5.131 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.416 -7.271 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.004 -6.382 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.947 -7.704 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.194 -6.270 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.775 -4.978 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.334 -4.938 -1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.542 -5.861 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.628 -3.656 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.158 -3.044 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.142 -3.179 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.293 -4.251 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.811 -4.844 2.580 1.00 0.00 H new ATOM 158 N GLU A 24 -12.087 -8.039 -3.733 1.00 0.00 N ATOM 159 CA GLU A 24 -11.703 -9.104 -4.674 1.00 0.00 C ATOM 160 C GLU A 24 -10.179 -9.295 -4.594 1.00 0.00 C ATOM 161 O GLU A 24 -9.742 -10.072 -3.761 1.00 0.00 O ATOM 162 CB GLU A 24 -12.113 -8.754 -6.115 1.00 0.00 C ATOM 163 CG GLU A 24 -13.587 -8.368 -6.181 1.00 0.00 C ATOM 164 CD GLU A 24 -14.023 -8.048 -7.610 1.00 0.00 C ATOM 165 OE1 GLU A 24 -14.355 -8.998 -8.337 1.00 0.00 O ATOM 166 OE2 GLU A 24 -13.974 -6.843 -7.959 1.00 0.00 O ATOM 0 H GLU A 24 -11.742 -7.117 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.219 -10.024 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.500 -7.931 -6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.926 -9.606 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.195 -9.183 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.766 -7.502 -5.543 1.00 0.00 H new ATOM 174 N PHE A 25 -9.456 -8.255 -5.007 1.00 0.00 N ATOM 175 CA PHE A 25 -7.985 -8.318 -5.146 1.00 0.00 C ATOM 176 C PHE A 25 -7.149 -8.133 -3.884 1.00 0.00 C ATOM 177 O PHE A 25 -6.176 -8.854 -3.651 1.00 0.00 O ATOM 178 CB PHE A 25 -7.540 -7.336 -6.224 1.00 0.00 C ATOM 179 CG PHE A 25 -7.968 -7.792 -7.617 1.00 0.00 C ATOM 180 CD1 PHE A 25 -7.281 -8.864 -8.226 1.00 0.00 C ATOM 181 CD2 PHE A 25 -9.013 -7.118 -8.289 1.00 0.00 C ATOM 182 CE1 PHE A 25 -7.638 -9.274 -9.533 1.00 0.00 C ATOM 183 CE2 PHE A 25 -9.366 -7.516 -9.591 1.00 0.00 C ATOM 184 CZ PHE A 25 -8.679 -8.588 -10.200 1.00 0.00 C ATOM 0 H PHE A 25 -9.859 -7.351 -5.254 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.787 -9.354 -5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.963 -6.353 -6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.456 -7.229 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.486 -9.369 -7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.536 -6.305 -7.807 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.125 -10.095 -10.012 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.157 -7.005 -10.121 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.955 -8.891 -11.199 1.00 0.00 H new ATOM 194 N VAL A 26 -7.662 -7.301 -3.004 1.00 0.00 N ATOM 195 CA VAL A 26 -6.973 -6.982 -1.741 1.00 0.00 C ATOM 196 C VAL A 26 -7.398 -8.029 -0.708 1.00 0.00 C ATOM 197 O VAL A 26 -6.539 -8.607 -0.033 1.00 0.00 O ATOM 198 CB VAL A 26 -7.210 -5.550 -1.240 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.417 -5.266 0.038 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.787 -4.525 -2.297 1.00 0.00 C ATOM 0 H VAL A 26 -8.555 -6.824 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.897 -7.021 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.277 -5.462 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.608 -4.244 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.725 -5.961 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.352 -5.391 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.964 -3.518 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.727 -4.648 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.368 -4.679 -3.206 1.00 0.00 H new ATOM 210 N LEU A 27 -8.692 -8.347 -0.697 1.00 0.00 N ATOM 211 CA LEU A 27 -9.180 -9.386 0.215 1.00 0.00 C ATOM 212 C LEU A 27 -8.818 -10.818 -0.217 1.00 0.00 C ATOM 213 O LEU A 27 -8.581 -11.664 0.638 1.00 0.00 O ATOM 214 CB LEU A 27 -10.663 -9.175 0.528 1.00 0.00 C ATOM 215 CG LEU A 27 -10.847 -8.291 1.772 1.00 0.00 C ATOM 216 CD1 LEU A 27 -10.199 -6.908 1.669 1.00 0.00 C ATOM 217 CD2 LEU A 27 -12.334 -8.154 2.074 1.00 0.00 C ATOM 0 H LEU A 27 -9.403 -7.917 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.640 -9.273 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.156 -8.712 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.144 -10.140 0.689 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.327 -8.794 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.378 -6.353 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.126 -7.020 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.631 -6.365 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.470 -7.528 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.838 -7.696 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.760 -9.140 2.260 1.00 0.00 H new ATOM 229 N GLU A 28 -8.550 -11.032 -1.495 1.00 0.00 N ATOM 230 CA GLU A 28 -8.163 -12.377 -1.976 1.00 0.00 C ATOM 231 C GLU A 28 -7.463 -12.345 -3.343 1.00 0.00 C ATOM 232 O GLU A 28 -8.035 -11.995 -4.370 1.00 0.00 O ATOM 233 CB GLU A 28 -9.381 -13.300 -2.010 1.00 0.00 C ATOM 234 CG GLU A 28 -8.939 -14.768 -2.109 1.00 0.00 C ATOM 235 CD GLU A 28 -10.116 -15.710 -1.843 1.00 0.00 C ATOM 236 OE1 GLU A 28 -10.645 -16.232 -2.852 1.00 0.00 O ATOM 237 OE2 GLU A 28 -10.447 -15.894 -0.655 1.00 0.00 O ATOM 0 H GLU A 28 -8.588 -10.314 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.435 -12.771 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.981 -13.154 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.014 -13.046 -2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.528 -14.963 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.143 -14.962 -1.390 1.00 0.00 H new ATOM 245 N SER A 29 -6.154 -12.545 -3.259 1.00 0.00 N ATOM 246 CA SER A 29 -5.297 -12.726 -4.457 1.00 0.00 C ATOM 247 C SER A 29 -4.149 -13.710 -4.185 1.00 0.00 C ATOM 248 O SER A 29 -4.411 -14.841 -3.804 1.00 0.00 O ATOM 249 CB SER A 29 -4.873 -11.376 -5.066 1.00 0.00 C ATOM 250 OG SER A 29 -4.215 -10.571 -4.084 1.00 0.00 O ATOM 0 H SER A 29 -5.647 -12.589 -2.375 1.00 0.00 H new ATOM 0 HA SER A 29 -5.888 -13.201 -5.240 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.207 -11.545 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.749 -10.851 -5.448 1.00 0.00 H new ATOM 0 HG SER A 29 -4.857 -9.944 -3.691 1.00 0.00 H new ATOM 256 N GLU A 30 -2.963 -13.142 -3.979 1.00 0.00 N ATOM 257 CA GLU A 30 -1.685 -13.849 -3.743 1.00 0.00 C ATOM 258 C GLU A 30 -1.563 -14.404 -2.316 1.00 0.00 C ATOM 259 O GLU A 30 -0.709 -15.246 -2.062 1.00 0.00 O ATOM 260 CB GLU A 30 -0.574 -12.834 -4.027 1.00 0.00 C ATOM 261 CG GLU A 30 0.824 -13.428 -4.217 1.00 0.00 C ATOM 262 CD GLU A 30 1.814 -12.366 -4.712 1.00 0.00 C ATOM 263 OE1 GLU A 30 1.523 -11.784 -5.783 1.00 0.00 O ATOM 264 OE2 GLU A 30 2.852 -12.161 -4.057 1.00 0.00 O ATOM 0 H GLU A 30 -2.851 -12.128 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.619 -14.720 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.837 -12.274 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.538 -12.120 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.176 -13.846 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.779 -14.249 -4.932 1.00 0.00 H new ATOM 272 N VAL A 31 -2.641 -14.172 -1.562 1.00 0.00 N ATOM 273 CA VAL A 31 -2.819 -14.396 -0.107 1.00 0.00 C ATOM 274 C VAL A 31 -2.178 -13.264 0.722 1.00 0.00 C ATOM 275 O VAL A 31 -2.974 -12.402 1.117 1.00 0.00 O ATOM 276 CB VAL A 31 -2.649 -15.878 0.303 1.00 0.00 C ATOM 277 CG1 VAL A 31 -2.740 -16.084 1.825 1.00 0.00 C ATOM 278 CG2 VAL A 31 -3.733 -16.724 -0.372 1.00 0.00 C ATOM 0 H VAL A 31 -3.489 -13.790 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.863 -14.278 0.182 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.654 -16.186 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.614 -17.141 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.956 -15.508 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.714 -15.748 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.613 -17.768 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.716 -16.372 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.643 -16.635 -1.455 1.00 0.00 H new ATOM 288 N PRO A 32 -0.843 -13.109 0.890 1.00 0.00 N ATOM 289 CA PRO A 32 -0.313 -11.892 1.524 1.00 0.00 C ATOM 290 C PRO A 32 -0.421 -10.750 0.503 1.00 0.00 C ATOM 291 O PRO A 32 -0.132 -10.903 -0.689 1.00 0.00 O ATOM 292 CB PRO A 32 1.138 -12.206 1.886 1.00 0.00 C ATOM 293 CG PRO A 32 1.232 -13.731 1.800 1.00 0.00 C ATOM 294 CD PRO A 32 0.260 -14.057 0.666 1.00 0.00 C ATOM 0 HA PRO A 32 -0.855 -11.590 2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.832 -11.726 1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.384 -11.849 2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.245 -14.063 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.940 -14.209 2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.720 -13.917 -0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.081 -15.091 0.712 1.00 0.00 H new ATOM 302 N VAL A 33 -1.139 -9.707 0.911 1.00 0.00 N ATOM 303 CA VAL A 33 -1.420 -8.536 0.069 1.00 0.00 C ATOM 304 C VAL A 33 -0.995 -7.242 0.790 1.00 0.00 C ATOM 305 O VAL A 33 -1.146 -7.112 2.008 1.00 0.00 O ATOM 306 CB VAL A 33 -2.930 -8.512 -0.288 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.268 -7.370 -1.244 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.409 -9.812 -0.945 1.00 0.00 C ATOM 0 H VAL A 33 -1.548 -9.645 1.843 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.844 -8.602 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.439 -8.378 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.334 -7.388 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.011 -6.418 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.700 -7.488 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.472 -9.735 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.853 -9.980 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.243 -10.647 -0.264 1.00 0.00 H new ATOM 318 N MET A 34 -0.519 -6.296 -0.015 1.00 0.00 N ATOM 319 CA MET A 34 -0.031 -4.993 0.455 1.00 0.00 C ATOM 320 C MET A 34 -0.696 -3.827 -0.292 1.00 0.00 C ATOM 321 O MET A 34 -0.770 -3.799 -1.518 1.00 0.00 O ATOM 322 CB MET A 34 1.484 -4.963 0.245 1.00 0.00 C ATOM 323 CG MET A 34 2.101 -3.661 0.729 1.00 0.00 C ATOM 324 SD MET A 34 3.899 -3.550 0.456 1.00 0.00 S ATOM 325 CE MET A 34 4.427 -4.709 1.695 1.00 0.00 C ATOM 0 H MET A 34 -0.459 -6.410 -1.027 1.00 0.00 H new ATOM 0 HA MET A 34 -0.282 -4.872 1.509 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.940 -5.799 0.775 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.706 -5.098 -0.814 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.614 -2.829 0.221 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.897 -3.548 1.794 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.940 -4.177 2.496 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.559 -5.228 2.101 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.107 -5.434 1.248 1.00 0.00 H new ATOM 335 N VAL A 35 -1.073 -2.825 0.501 1.00 0.00 N ATOM 336 CA VAL A 35 -1.691 -1.575 0.019 1.00 0.00 C ATOM 337 C VAL A 35 -1.092 -0.317 0.664 1.00 0.00 C ATOM 338 O VAL A 35 -1.181 -0.151 1.871 1.00 0.00 O ATOM 339 CB VAL A 35 -3.209 -1.618 0.223 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.871 -2.379 -0.922 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.663 -2.200 1.570 1.00 0.00 C ATOM 0 H VAL A 35 -0.959 -2.852 1.514 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.471 -1.507 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.529 -0.576 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.950 -2.404 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.651 -1.880 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.486 -3.398 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.752 -2.189 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.305 -3.225 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.255 -1.599 2.382 1.00 0.00 H new ATOM 351 N ASP A 36 -0.572 0.562 -0.194 1.00 0.00 N ATOM 352 CA ASP A 36 0.141 1.795 0.210 1.00 0.00 C ATOM 353 C ASP A 36 -0.642 3.031 0.721 1.00 0.00 C ATOM 354 O ASP A 36 -0.117 3.781 1.548 1.00 0.00 O ATOM 355 CB ASP A 36 1.123 2.195 -0.899 1.00 0.00 C ATOM 356 CG ASP A 36 0.576 2.324 -2.319 1.00 0.00 C ATOM 357 OD1 ASP A 36 -0.500 2.929 -2.466 1.00 0.00 O ATOM 358 OD2 ASP A 36 1.232 1.758 -3.218 1.00 0.00 O ATOM 0 H ASP A 36 -0.630 0.444 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 36 0.623 1.482 1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.569 3.151 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.928 1.460 -0.915 1.00 0.00 H new ATOM 364 N PHE A 37 -1.788 3.291 0.107 1.00 0.00 N ATOM 365 CA PHE A 37 -2.693 4.443 0.347 1.00 0.00 C ATOM 366 C PHE A 37 -2.052 5.837 0.205 1.00 0.00 C ATOM 367 O PHE A 37 -1.287 6.290 1.071 1.00 0.00 O ATOM 368 CB PHE A 37 -3.360 4.446 1.724 1.00 0.00 C ATOM 369 CG PHE A 37 -4.459 3.402 1.923 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.139 2.031 1.999 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.782 3.858 2.129 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.150 1.092 2.270 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.802 2.922 2.397 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.482 1.547 2.464 1.00 0.00 C ATOM 0 H PHE A 37 -2.147 2.673 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.420 4.282 -0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.592 4.289 2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.785 5.434 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.121 1.703 1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.009 4.913 2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.917 0.039 2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.819 3.253 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.264 0.830 2.666 1.00 0.00 H new ATOM 384 N TRP A 38 -2.563 6.588 -0.756 1.00 0.00 N ATOM 385 CA TRP A 38 -2.122 7.981 -0.974 1.00 0.00 C ATOM 386 C TRP A 38 -3.319 8.888 -1.260 1.00 0.00 C ATOM 387 O TRP A 38 -4.229 8.542 -2.014 1.00 0.00 O ATOM 388 CB TRP A 38 -1.038 8.064 -2.060 1.00 0.00 C ATOM 389 CG TRP A 38 -1.599 7.988 -3.476 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.174 6.912 -3.992 1.00 0.00 C ATOM 391 CD2 TRP A 38 -1.959 9.077 -4.267 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.869 7.237 -5.087 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.804 8.552 -5.263 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.837 10.465 -4.073 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.568 9.425 -6.064 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -2.606 11.329 -4.870 1.00 0.00 C ATOM 397 CH2 TRP A 38 -3.460 10.808 -5.869 1.00 0.00 C ATOM 0 H TRP A 38 -3.283 6.269 -1.404 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.660 8.345 -0.056 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.487 8.997 -1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.325 7.253 -1.915 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.093 5.914 -3.586 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.368 6.582 -5.689 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.165 10.859 -3.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.230 9.031 -6.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.545 12.397 -4.719 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.034 11.482 -6.487 1.00 0.00 H new ATOM 408 N ALA A 39 -3.131 10.148 -0.890 1.00 0.00 N ATOM 409 CA ALA A 39 -4.212 11.150 -0.943 1.00 0.00 C ATOM 410 C ALA A 39 -3.694 12.449 -1.563 1.00 0.00 C ATOM 411 O ALA A 39 -2.650 12.946 -1.152 1.00 0.00 O ATOM 412 CB ALA A 39 -4.709 11.401 0.492 1.00 0.00 C ATOM 0 H ALA A 39 -2.241 10.511 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.033 10.785 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.510 12.140 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.084 10.469 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.886 11.772 1.103 1.00 0.00 H new ATOM 418 N PRO A 40 -4.432 13.015 -2.529 1.00 0.00 N ATOM 419 CA PRO A 40 -4.056 14.280 -3.203 1.00 0.00 C ATOM 420 C PRO A 40 -3.855 15.461 -2.243 1.00 0.00 C ATOM 421 O PRO A 40 -2.999 16.315 -2.479 1.00 0.00 O ATOM 422 CB PRO A 40 -5.164 14.549 -4.215 1.00 0.00 C ATOM 423 CG PRO A 40 -6.345 13.720 -3.737 1.00 0.00 C ATOM 424 CD PRO A 40 -5.696 12.495 -3.096 1.00 0.00 C ATOM 0 HA PRO A 40 -3.082 14.174 -3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.415 15.609 -4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.859 14.258 -5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.956 14.270 -3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.998 13.440 -4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.333 12.064 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.511 11.711 -3.830 1.00 0.00 H new ATOM 432 N TRP A 41 -4.596 15.473 -1.143 1.00 0.00 N ATOM 433 CA TRP A 41 -4.451 16.465 -0.047 1.00 0.00 C ATOM 434 C TRP A 41 -3.147 16.385 0.766 1.00 0.00 C ATOM 435 O TRP A 41 -2.794 17.331 1.452 1.00 0.00 O ATOM 436 CB TRP A 41 -5.718 16.471 0.824 1.00 0.00 C ATOM 437 CG TRP A 41 -6.275 15.084 1.148 1.00 0.00 C ATOM 438 CD1 TRP A 41 -7.461 14.644 0.729 1.00 0.00 C ATOM 439 CD2 TRP A 41 -5.890 14.282 2.208 1.00 0.00 C ATOM 440 NE1 TRP A 41 -7.894 13.660 1.523 1.00 0.00 N ATOM 441 CE2 TRP A 41 -6.968 13.395 2.437 1.00 0.00 C ATOM 442 CE3 TRP A 41 -4.707 14.194 2.968 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -6.884 12.419 3.457 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -4.620 13.206 3.961 1.00 0.00 C ATOM 445 CH2 TRP A 41 -5.707 12.348 4.220 1.00 0.00 C ATOM 0 H TRP A 41 -5.332 14.788 -0.969 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.350 17.436 -0.531 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.498 16.987 1.759 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.490 17.048 0.315 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.995 15.027 -0.128 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.794 13.187 1.440 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.885 14.872 2.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.706 11.744 3.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.710 13.102 4.533 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.634 11.624 5.018 1.00 0.00 H new ATOM 456 N CYS A 42 -2.448 15.263 0.668 1.00 0.00 N ATOM 457 CA CYS A 42 -1.062 15.111 1.170 1.00 0.00 C ATOM 458 C CYS A 42 -0.039 15.681 0.152 1.00 0.00 C ATOM 459 O CYS A 42 1.165 15.736 0.407 1.00 0.00 O ATOM 460 CB CYS A 42 -0.822 13.623 1.446 1.00 0.00 C ATOM 461 SG CYS A 42 0.909 13.099 1.668 1.00 0.00 S ATOM 0 H CYS A 42 -2.818 14.416 0.236 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.927 15.678 2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.378 13.350 2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.247 13.051 0.621 1.00 0.00 H new ATOM 466 N GLY A 43 -0.551 16.115 -1.006 1.00 0.00 N ATOM 467 CA GLY A 43 0.233 16.617 -2.138 1.00 0.00 C ATOM 468 C GLY A 43 0.822 15.411 -2.905 1.00 0.00 C ATOM 469 O GLY A 43 0.077 14.503 -3.251 1.00 0.00 O ATOM 0 H GLY A 43 -1.555 16.126 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.396 17.214 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.033 17.268 -1.785 1.00 0.00 H new ATOM 473 N PRO A 44 2.157 15.349 -3.036 1.00 0.00 N ATOM 474 CA PRO A 44 2.834 14.227 -3.722 1.00 0.00 C ATOM 475 C PRO A 44 3.006 12.989 -2.827 1.00 0.00 C ATOM 476 O PRO A 44 4.046 12.330 -2.858 1.00 0.00 O ATOM 477 CB PRO A 44 4.166 14.835 -4.172 1.00 0.00 C ATOM 478 CG PRO A 44 4.493 15.826 -3.057 1.00 0.00 C ATOM 479 CD PRO A 44 3.124 16.412 -2.705 1.00 0.00 C ATOM 0 HA PRO A 44 2.252 13.838 -4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.941 14.075 -4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.076 15.332 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.953 15.333 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.188 16.596 -3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.069 16.681 -1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.924 17.319 -3.276 1.00 0.00 H new ATOM 487 N CYS A 45 1.914 12.560 -2.191 1.00 0.00 N ATOM 488 CA CYS A 45 1.909 11.344 -1.346 1.00 0.00 C ATOM 489 C CYS A 45 2.236 10.021 -2.053 1.00 0.00 C ATOM 490 O CYS A 45 2.551 9.029 -1.400 1.00 0.00 O ATOM 491 CB CYS A 45 0.569 11.131 -0.636 1.00 0.00 C ATOM 492 SG CYS A 45 0.808 11.127 1.181 1.00 0.00 S ATOM 0 H CYS A 45 1.012 13.034 -2.240 1.00 0.00 H new ATOM 0 HA CYS A 45 2.718 11.565 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.129 11.920 -0.916 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.127 10.187 -0.954 1.00 0.00 H new ATOM 497 N LYS A 46 2.267 10.075 -3.379 1.00 0.00 N ATOM 498 CA LYS A 46 2.548 8.926 -4.271 1.00 0.00 C ATOM 499 C LYS A 46 3.926 8.250 -4.071 1.00 0.00 C ATOM 500 O LYS A 46 4.147 7.148 -4.570 1.00 0.00 O ATOM 501 CB LYS A 46 2.334 9.378 -5.716 1.00 0.00 C ATOM 502 CG LYS A 46 1.973 8.223 -6.660 1.00 0.00 C ATOM 503 CD LYS A 46 0.677 7.535 -6.214 1.00 0.00 C ATOM 504 CE LYS A 46 0.254 6.353 -7.097 1.00 0.00 C ATOM 505 NZ LYS A 46 -0.203 6.857 -8.393 1.00 0.00 N ATOM 0 H LYS A 46 2.094 10.940 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 46 1.848 8.134 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.540 10.124 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.240 9.864 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.858 8.601 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.786 7.497 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.800 7.183 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.127 8.271 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.091 5.669 -7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.542 5.788 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.554 6.065 -8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.969 7.545 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.589 7.319 -8.885 1.00 0.00 H new ATOM 519 N LEU A 47 4.784 8.867 -3.270 1.00 0.00 N ATOM 520 CA LEU A 47 6.119 8.362 -2.878 1.00 0.00 C ATOM 521 C LEU A 47 6.156 6.911 -2.385 1.00 0.00 C ATOM 522 O LEU A 47 7.137 6.193 -2.606 1.00 0.00 O ATOM 523 CB LEU A 47 6.706 9.294 -1.819 1.00 0.00 C ATOM 524 CG LEU A 47 7.069 10.641 -2.454 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.183 11.729 -1.394 1.00 0.00 C ATOM 526 CD2 LEU A 47 8.357 10.522 -3.283 1.00 0.00 C ATOM 0 H LEU A 47 4.572 9.772 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 47 6.718 8.356 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.986 9.444 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.592 8.841 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 47 6.265 10.929 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.441 12.675 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.230 11.832 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.959 11.459 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.596 11.489 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.177 10.205 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.213 9.787 -4.075 1.00 0.00 H new ATOM 538 N ILE A 48 5.098 6.501 -1.688 1.00 0.00 N ATOM 539 CA ILE A 48 4.887 5.091 -1.284 1.00 0.00 C ATOM 540 C ILE A 48 4.874 4.061 -2.427 1.00 0.00 C ATOM 541 O ILE A 48 5.399 2.970 -2.258 1.00 0.00 O ATOM 542 CB ILE A 48 3.642 4.874 -0.408 1.00 0.00 C ATOM 543 CG1 ILE A 48 2.467 5.831 -0.660 1.00 0.00 C ATOM 544 CG2 ILE A 48 4.056 4.807 1.059 1.00 0.00 C ATOM 545 CD1 ILE A 48 1.826 5.710 -2.052 1.00 0.00 C ATOM 0 H ILE A 48 4.355 7.129 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 48 5.783 4.904 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 48 3.221 3.915 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.701 5.651 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.815 6.855 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.173 4.653 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.750 3.979 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.541 5.741 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.006 6.423 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.574 5.922 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.443 4.699 -2.190 1.00 0.00 H new ATOM 557 N ALA A 49 4.384 4.451 -3.607 1.00 0.00 N ATOM 558 CA ALA A 49 4.293 3.531 -4.752 1.00 0.00 C ATOM 559 C ALA A 49 5.628 2.880 -5.188 1.00 0.00 C ATOM 560 O ALA A 49 5.688 1.649 -5.180 1.00 0.00 O ATOM 561 CB ALA A 49 3.466 4.121 -5.916 1.00 0.00 C ATOM 0 H ALA A 49 4.044 5.394 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 49 3.727 2.678 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.429 3.404 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.453 4.332 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.932 5.044 -6.262 1.00 0.00 H new ATOM 567 N PRO A 50 6.720 3.642 -5.324 1.00 0.00 N ATOM 568 CA PRO A 50 8.085 3.115 -5.537 1.00 0.00 C ATOM 569 C PRO A 50 8.507 2.115 -4.449 1.00 0.00 C ATOM 570 O PRO A 50 8.868 0.991 -4.769 1.00 0.00 O ATOM 571 CB PRO A 50 9.000 4.336 -5.472 1.00 0.00 C ATOM 572 CG PRO A 50 8.121 5.496 -5.941 1.00 0.00 C ATOM 573 CD PRO A 50 6.705 5.091 -5.504 1.00 0.00 C ATOM 0 HA PRO A 50 8.137 2.580 -6.485 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.370 4.502 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.872 4.214 -6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.426 6.438 -5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.182 5.631 -7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.427 5.593 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.970 5.380 -6.256 1.00 0.00 H new ATOM 581 N VAL A 51 8.289 2.479 -3.180 1.00 0.00 N ATOM 582 CA VAL A 51 8.604 1.596 -2.024 1.00 0.00 C ATOM 583 C VAL A 51 7.864 0.258 -2.161 1.00 0.00 C ATOM 584 O VAL A 51 8.490 -0.793 -2.177 1.00 0.00 O ATOM 585 CB VAL A 51 8.280 2.322 -0.700 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.492 1.426 0.529 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.143 3.578 -0.523 1.00 0.00 C ATOM 0 H VAL A 51 7.894 3.381 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 51 9.670 1.370 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 51 7.227 2.594 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.250 1.985 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.844 0.552 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.533 1.104 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.889 4.064 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.196 3.297 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.958 4.266 -1.348 1.00 0.00 H new ATOM 597 N ILE A 52 6.570 0.341 -2.455 1.00 0.00 N ATOM 598 CA ILE A 52 5.698 -0.826 -2.718 1.00 0.00 C ATOM 599 C ILE A 52 6.142 -1.654 -3.938 1.00 0.00 C ATOM 600 O ILE A 52 6.320 -2.861 -3.841 1.00 0.00 O ATOM 601 CB ILE A 52 4.258 -0.253 -2.721 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.606 -0.372 -1.331 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.320 -0.768 -3.809 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.415 0.312 -0.224 1.00 0.00 C ATOM 0 H ILE A 52 6.078 1.232 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 52 5.762 -1.598 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 52 4.404 0.796 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.608 0.066 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.483 -1.426 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.345 -0.292 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.735 -0.532 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.209 -1.848 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.901 0.191 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.404 -0.142 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.516 1.374 -0.450 1.00 0.00 H new ATOM 616 N ASP A 53 6.620 -0.931 -4.938 1.00 0.00 N ATOM 617 CA ASP A 53 7.200 -1.535 -6.171 1.00 0.00 C ATOM 618 C ASP A 53 8.511 -2.288 -5.921 1.00 0.00 C ATOM 619 O ASP A 53 8.861 -3.242 -6.629 1.00 0.00 O ATOM 620 CB ASP A 53 7.356 -0.489 -7.275 1.00 0.00 C ATOM 621 CG ASP A 53 6.034 0.160 -7.710 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.977 -0.498 -7.595 1.00 0.00 O ATOM 623 OD2 ASP A 53 6.102 1.340 -8.123 1.00 0.00 O ATOM 0 H ASP A 53 6.626 0.089 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 53 6.486 -2.286 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.035 0.290 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.822 -0.957 -8.142 1.00 0.00 H new ATOM 629 N GLU A 54 9.219 -1.856 -4.885 1.00 0.00 N ATOM 630 CA GLU A 54 10.432 -2.518 -4.355 1.00 0.00 C ATOM 631 C GLU A 54 10.080 -3.705 -3.461 1.00 0.00 C ATOM 632 O GLU A 54 10.548 -4.818 -3.708 1.00 0.00 O ATOM 633 CB GLU A 54 11.254 -1.514 -3.559 1.00 0.00 C ATOM 634 CG GLU A 54 12.067 -0.603 -4.500 1.00 0.00 C ATOM 635 CD GLU A 54 12.164 0.829 -3.965 1.00 0.00 C ATOM 636 OE1 GLU A 54 11.588 1.706 -4.637 1.00 0.00 O ATOM 637 OE2 GLU A 54 12.838 1.025 -2.935 1.00 0.00 O ATOM 0 H GLU A 54 8.969 -1.013 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 54 11.008 -2.890 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.594 -0.907 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.928 -2.042 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.069 -1.012 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.602 -0.592 -5.486 1.00 0.00 H new ATOM 645 N LEU A 55 9.155 -3.486 -2.519 1.00 0.00 N ATOM 646 CA LEU A 55 8.643 -4.548 -1.632 1.00 0.00 C ATOM 647 C LEU A 55 8.068 -5.745 -2.391 1.00 0.00 C ATOM 648 O LEU A 55 8.263 -6.886 -1.991 1.00 0.00 O ATOM 649 CB LEU A 55 7.588 -3.972 -0.680 1.00 0.00 C ATOM 650 CG LEU A 55 8.178 -2.995 0.348 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.111 -2.034 0.857 1.00 0.00 C ATOM 652 CD2 LEU A 55 8.863 -3.733 1.498 1.00 0.00 C ATOM 0 H LEU A 55 8.738 -2.571 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 55 9.496 -4.920 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.822 -3.460 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.095 -4.790 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 55 8.945 -2.406 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.552 -1.352 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.708 -1.462 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.308 -2.599 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.268 -3.009 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.138 -4.369 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.672 -4.348 1.105 1.00 0.00 H new ATOM 664 N ALA A 56 7.641 -5.455 -3.619 1.00 0.00 N ATOM 665 CA ALA A 56 7.142 -6.430 -4.616 1.00 0.00 C ATOM 666 C ALA A 56 8.158 -7.555 -4.856 1.00 0.00 C ATOM 667 O ALA A 56 7.960 -8.686 -4.424 1.00 0.00 O ATOM 668 CB ALA A 56 6.860 -5.686 -5.926 1.00 0.00 C ATOM 0 H ALA A 56 7.628 -4.498 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 56 6.229 -6.890 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.491 -6.390 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.109 -4.915 -5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.779 -5.223 -6.287 1.00 0.00 H new ATOM 674 N LYS A 57 9.335 -7.164 -5.333 1.00 0.00 N ATOM 675 CA LYS A 57 10.436 -8.096 -5.608 1.00 0.00 C ATOM 676 C LYS A 57 11.249 -8.531 -4.374 1.00 0.00 C ATOM 677 O LYS A 57 11.693 -9.666 -4.294 1.00 0.00 O ATOM 678 CB LYS A 57 11.284 -7.657 -6.816 1.00 0.00 C ATOM 679 CG LYS A 57 11.508 -6.148 -6.932 1.00 0.00 C ATOM 680 CD LYS A 57 12.814 -5.784 -6.256 1.00 0.00 C ATOM 681 CE LYS A 57 13.111 -4.310 -6.482 1.00 0.00 C ATOM 682 NZ LYS A 57 14.167 -4.156 -5.492 1.00 0.00 N ATOM 0 H LYS A 57 9.558 -6.191 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 57 9.955 -9.028 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.254 -8.150 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.801 -8.009 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.533 -5.852 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.682 -5.609 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.753 -5.994 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.624 -6.394 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.446 -4.095 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.251 -3.669 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.579 -3.204 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.771 -4.286 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.907 -4.868 -5.660 1.00 0.00 H new ATOM 696 N GLU A 58 11.200 -7.682 -3.343 1.00 0.00 N ATOM 697 CA GLU A 58 11.759 -7.984 -2.008 1.00 0.00 C ATOM 698 C GLU A 58 11.011 -9.190 -1.389 1.00 0.00 C ATOM 699 O GLU A 58 11.605 -10.009 -0.697 1.00 0.00 O ATOM 700 CB GLU A 58 11.544 -6.702 -1.204 1.00 0.00 C ATOM 701 CG GLU A 58 12.480 -6.517 -0.020 1.00 0.00 C ATOM 702 CD GLU A 58 12.332 -5.103 0.575 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.058 -5.009 1.786 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.504 -4.145 -0.200 1.00 0.00 O ATOM 0 H GLU A 58 10.770 -6.759 -3.404 1.00 0.00 H new ATOM 0 HA GLU A 58 12.813 -8.262 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.657 -5.849 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.517 -6.688 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.260 -7.263 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.511 -6.678 -0.336 1.00 0.00 H new ATOM 712 N TYR A 59 9.714 -9.241 -1.666 1.00 0.00 N ATOM 713 CA TYR A 59 8.828 -10.361 -1.300 1.00 0.00 C ATOM 714 C TYR A 59 8.179 -11.008 -2.529 1.00 0.00 C ATOM 715 O TYR A 59 6.965 -11.114 -2.662 1.00 0.00 O ATOM 716 CB TYR A 59 7.763 -9.896 -0.309 1.00 0.00 C ATOM 717 CG TYR A 59 8.344 -9.655 1.067 1.00 0.00 C ATOM 718 CD1 TYR A 59 8.938 -10.744 1.739 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.572 -8.316 1.449 1.00 0.00 C ATOM 720 CE1 TYR A 59 9.845 -10.485 2.775 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.478 -8.052 2.494 1.00 0.00 C ATOM 722 CZ TYR A 59 10.115 -9.143 3.127 1.00 0.00 C ATOM 723 OH TYR A 59 11.181 -8.906 3.925 1.00 0.00 O ATOM 0 H TYR A 59 9.229 -8.493 -2.162 1.00 0.00 H new ATOM 0 HA TYR A 59 9.445 -11.123 -0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.302 -8.979 -0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.974 -10.646 -0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.698 -11.759 1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.060 -7.507 0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.330 -11.297 3.296 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.682 -7.038 2.805 1.00 0.00 H new ATOM 0 HH TYR A 59 11.883 -8.458 3.409 1.00 0.00 H new ATOM 733 N SER A 60 9.069 -11.470 -3.407 1.00 0.00 N ATOM 734 CA SER A 60 8.666 -12.152 -4.650 1.00 0.00 C ATOM 735 C SER A 60 7.896 -13.458 -4.363 1.00 0.00 C ATOM 736 O SER A 60 8.434 -14.417 -3.823 1.00 0.00 O ATOM 737 CB SER A 60 9.894 -12.438 -5.496 1.00 0.00 C ATOM 738 OG SER A 60 9.448 -12.906 -6.765 1.00 0.00 O ATOM 0 H SER A 60 10.078 -11.387 -3.285 1.00 0.00 H new ATOM 0 HA SER A 60 7.992 -11.491 -5.195 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.497 -11.537 -5.611 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.525 -13.184 -5.014 1.00 0.00 H new ATOM 0 HG SER A 60 10.223 -13.097 -7.334 1.00 0.00 H new ATOM 744 N GLY A 61 6.601 -13.374 -4.658 1.00 0.00 N ATOM 745 CA GLY A 61 5.608 -14.448 -4.401 1.00 0.00 C ATOM 746 C GLY A 61 4.923 -14.357 -3.033 1.00 0.00 C ATOM 747 O GLY A 61 4.221 -15.293 -2.632 1.00 0.00 O ATOM 0 H GLY A 61 6.191 -12.547 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.846 -14.416 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.106 -15.414 -4.482 1.00 0.00 H new ATOM 751 N LYS A 62 5.086 -13.238 -2.336 1.00 0.00 N ATOM 752 CA LYS A 62 4.441 -12.997 -1.022 1.00 0.00 C ATOM 753 C LYS A 62 3.332 -11.943 -1.101 1.00 0.00 C ATOM 754 O LYS A 62 2.171 -12.277 -1.345 1.00 0.00 O ATOM 755 CB LYS A 62 5.449 -12.633 0.077 1.00 0.00 C ATOM 756 CG LYS A 62 6.316 -13.803 0.538 1.00 0.00 C ATOM 757 CD LYS A 62 7.597 -13.881 -0.288 1.00 0.00 C ATOM 758 CE LYS A 62 8.565 -14.920 0.268 1.00 0.00 C ATOM 759 NZ LYS A 62 9.769 -14.831 -0.565 1.00 0.00 N ATOM 0 H LYS A 62 5.667 -12.463 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 62 3.983 -13.947 -0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.097 -11.836 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.907 -12.235 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.564 -13.685 1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.759 -14.735 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.350 -14.130 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.081 -12.904 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.797 -14.718 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.133 -15.920 0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.473 -15.521 -0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.523 -15.037 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.167 -13.872 -0.499 1.00 0.00 H new ATOM 773 N ILE A 63 3.735 -10.672 -1.079 1.00 0.00 N ATOM 774 CA ILE A 63 2.787 -9.548 -0.964 1.00 0.00 C ATOM 775 C ILE A 63 2.390 -8.885 -2.292 1.00 0.00 C ATOM 776 O ILE A 63 3.213 -8.384 -3.056 1.00 0.00 O ATOM 777 CB ILE A 63 3.199 -8.528 0.125 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.678 -8.138 0.111 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.827 -9.039 1.515 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.990 -7.074 -0.930 1.00 0.00 C ATOM 0 H ILE A 63 4.713 -10.388 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 63 1.862 -10.015 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 63 2.640 -7.624 -0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.963 -7.771 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.282 -9.023 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.126 -8.306 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.750 -9.194 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.340 -9.982 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.053 -6.834 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.732 -7.448 -1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.409 -6.177 -0.719 1.00 0.00 H new ATOM 792 N ALA A 64 1.105 -9.035 -2.590 1.00 0.00 N ATOM 793 CA ALA A 64 0.469 -8.392 -3.768 1.00 0.00 C ATOM 794 C ALA A 64 0.295 -6.875 -3.566 1.00 0.00 C ATOM 795 O ALA A 64 -0.592 -6.411 -2.854 1.00 0.00 O ATOM 796 CB ALA A 64 -0.864 -9.073 -4.081 1.00 0.00 C ATOM 0 H ALA A 64 0.464 -9.601 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 64 1.131 -8.519 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.323 -8.594 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.692 -10.127 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.529 -8.983 -3.222 1.00 0.00 H new ATOM 802 N VAL A 65 1.354 -6.191 -3.968 1.00 0.00 N ATOM 803 CA VAL A 65 1.529 -4.733 -3.945 1.00 0.00 C ATOM 804 C VAL A 65 0.561 -3.935 -4.832 1.00 0.00 C ATOM 805 O VAL A 65 0.640 -3.913 -6.060 1.00 0.00 O ATOM 806 CB VAL A 65 2.991 -4.397 -4.289 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.870 -4.644 -3.068 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.510 -5.086 -5.544 1.00 0.00 C ATOM 0 H VAL A 65 2.174 -6.665 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 65 1.280 -4.417 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 65 3.032 -3.338 -4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.906 -4.406 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.536 -4.012 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.798 -5.691 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.547 -4.796 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.452 -6.167 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.904 -4.789 -6.400 1.00 0.00 H new ATOM 818 N TYR A 66 -0.388 -3.307 -4.146 1.00 0.00 N ATOM 819 CA TYR A 66 -1.435 -2.469 -4.739 1.00 0.00 C ATOM 820 C TYR A 66 -1.405 -1.037 -4.200 1.00 0.00 C ATOM 821 O TYR A 66 -1.025 -0.742 -3.058 1.00 0.00 O ATOM 822 CB TYR A 66 -2.805 -3.086 -4.444 1.00 0.00 C ATOM 823 CG TYR A 66 -2.995 -4.523 -4.932 1.00 0.00 C ATOM 824 CD1 TYR A 66 -2.360 -5.020 -6.096 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.876 -5.322 -4.181 1.00 0.00 C ATOM 826 CE1 TYR A 66 -2.630 -6.333 -6.527 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.146 -6.636 -4.612 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.520 -7.129 -5.779 1.00 0.00 C ATOM 829 OH TYR A 66 -3.874 -8.362 -6.234 1.00 0.00 O ATOM 0 H TYR A 66 -0.456 -3.366 -3.130 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.253 -2.425 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.972 -3.061 -3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.572 -2.461 -4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.673 -4.396 -6.649 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.339 -4.934 -3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.162 -6.724 -7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.827 -7.262 -4.054 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.922 -8.987 -5.481 1.00 0.00 H new ATOM 839 N LYS A 67 -1.950 -0.172 -5.040 1.00 0.00 N ATOM 840 CA LYS A 67 -2.089 1.263 -4.762 1.00 0.00 C ATOM 841 C LYS A 67 -3.520 1.739 -5.052 1.00 0.00 C ATOM 842 O LYS A 67 -4.147 1.248 -5.986 1.00 0.00 O ATOM 843 CB LYS A 67 -1.072 2.094 -5.557 1.00 0.00 C ATOM 844 CG LYS A 67 -1.226 2.123 -7.089 1.00 0.00 C ATOM 845 CD LYS A 67 -0.880 0.821 -7.837 1.00 0.00 C ATOM 846 CE LYS A 67 0.608 0.473 -7.689 1.00 0.00 C ATOM 847 NZ LYS A 67 0.905 -0.818 -8.325 1.00 0.00 N ATOM 0 H LYS A 67 -2.317 -0.444 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.882 1.412 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.118 3.121 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.075 1.719 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.257 2.388 -7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.594 2.920 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.488 0.003 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.128 0.929 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.216 1.256 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.874 0.433 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.916 -1.035 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.339 -1.565 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.671 -0.768 -9.337 1.00 0.00 H new ATOM 861 N LEU A 68 -4.094 2.389 -4.051 1.00 0.00 N ATOM 862 CA LEU A 68 -5.380 3.084 -4.238 1.00 0.00 C ATOM 863 C LEU A 68 -5.298 4.577 -3.953 1.00 0.00 C ATOM 864 O LEU A 68 -4.610 5.022 -3.025 1.00 0.00 O ATOM 865 CB LEU A 68 -6.590 2.436 -3.525 1.00 0.00 C ATOM 866 CG LEU A 68 -6.720 2.420 -1.995 1.00 0.00 C ATOM 867 CD1 LEU A 68 -5.544 1.696 -1.342 1.00 0.00 C ATOM 868 CD2 LEU A 68 -7.025 3.776 -1.356 1.00 0.00 C ATOM 0 H LEU A 68 -3.705 2.456 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.578 2.960 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.483 2.928 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.630 1.398 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.619 1.840 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.668 1.703 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.509 0.666 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.615 2.202 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.098 3.660 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.226 4.478 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.969 4.157 -1.744 1.00 0.00 H new ATOM 880 N ASN A 69 -6.031 5.320 -4.768 1.00 0.00 N ATOM 881 CA ASN A 69 -6.232 6.760 -4.499 1.00 0.00 C ATOM 882 C ASN A 69 -7.230 6.801 -3.351 1.00 0.00 C ATOM 883 O ASN A 69 -8.387 6.412 -3.492 1.00 0.00 O ATOM 884 CB ASN A 69 -6.861 7.530 -5.647 1.00 0.00 C ATOM 885 CG ASN A 69 -6.172 7.369 -7.005 1.00 0.00 C ATOM 886 OD1 ASN A 69 -5.103 6.796 -7.139 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.774 7.925 -8.030 1.00 0.00 N ATOM 0 H ASN A 69 -6.493 4.972 -5.608 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.261 7.217 -4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.900 7.215 -5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.872 8.589 -5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.349 7.882 -8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.667 8.400 -7.901 1.00 0.00 H new ATOM 894 N THR A 70 -6.747 7.286 -2.230 1.00 0.00 N ATOM 895 CA THR A 70 -7.590 7.367 -1.029 1.00 0.00 C ATOM 896 C THR A 70 -8.865 8.213 -1.240 1.00 0.00 C ATOM 897 O THR A 70 -9.940 7.828 -0.799 1.00 0.00 O ATOM 898 CB THR A 70 -6.756 7.832 0.160 1.00 0.00 C ATOM 899 OG1 THR A 70 -5.554 7.053 0.211 1.00 0.00 O ATOM 900 CG2 THR A 70 -7.533 7.561 1.430 1.00 0.00 C ATOM 0 H THR A 70 -5.794 7.628 -2.111 1.00 0.00 H new ATOM 0 HA THR A 70 -7.961 6.366 -0.810 1.00 0.00 H new ATOM 0 HB THR A 70 -6.527 8.893 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.429 6.703 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.949 7.888 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.476 8.106 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.734 6.493 1.513 1.00 0.00 H new ATOM 908 N ASP A 71 -8.774 9.184 -2.140 1.00 0.00 N ATOM 909 CA ASP A 71 -9.920 10.015 -2.552 1.00 0.00 C ATOM 910 C ASP A 71 -10.853 9.373 -3.593 1.00 0.00 C ATOM 911 O ASP A 71 -11.905 9.921 -3.909 1.00 0.00 O ATOM 912 CB ASP A 71 -9.473 11.414 -2.982 1.00 0.00 C ATOM 913 CG ASP A 71 -9.233 12.274 -1.738 1.00 0.00 C ATOM 914 OD1 ASP A 71 -10.092 13.139 -1.473 1.00 0.00 O ATOM 915 OD2 ASP A 71 -8.204 12.033 -1.078 1.00 0.00 O ATOM 0 H ASP A 71 -7.903 9.426 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.532 10.103 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.561 11.350 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.233 11.873 -3.614 1.00 0.00 H new ATOM 921 N GLU A 72 -10.372 8.318 -4.241 1.00 0.00 N ATOM 922 CA GLU A 72 -11.202 7.448 -5.099 1.00 0.00 C ATOM 923 C GLU A 72 -11.968 6.440 -4.219 1.00 0.00 C ATOM 924 O GLU A 72 -13.081 6.023 -4.552 1.00 0.00 O ATOM 925 CB GLU A 72 -10.266 6.738 -6.091 1.00 0.00 C ATOM 926 CG GLU A 72 -10.820 5.509 -6.812 1.00 0.00 C ATOM 927 CD GLU A 72 -9.719 4.626 -7.408 1.00 0.00 C ATOM 928 OE1 GLU A 72 -10.047 3.911 -8.374 1.00 0.00 O ATOM 929 OE2 GLU A 72 -8.566 4.676 -6.902 1.00 0.00 O ATOM 0 H GLU A 72 -9.394 8.032 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.941 8.025 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.959 7.463 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.367 6.438 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.414 4.920 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.492 5.832 -7.608 1.00 0.00 H new ATOM 937 N ALA A 73 -11.319 6.014 -3.139 1.00 0.00 N ATOM 938 CA ALA A 73 -11.897 5.064 -2.177 1.00 0.00 C ATOM 939 C ALA A 73 -11.919 5.605 -0.726 1.00 0.00 C ATOM 940 O ALA A 73 -11.193 5.115 0.149 1.00 0.00 O ATOM 941 CB ALA A 73 -11.141 3.737 -2.329 1.00 0.00 C ATOM 0 H ALA A 73 -10.374 6.315 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.952 4.906 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.544 3.006 -1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.258 3.366 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.083 3.895 -2.119 1.00 0.00 H new ATOM 947 N PRO A 74 -12.848 6.544 -0.424 1.00 0.00 N ATOM 948 CA PRO A 74 -13.030 7.095 0.940 1.00 0.00 C ATOM 949 C PRO A 74 -13.565 6.024 1.895 1.00 0.00 C ATOM 950 O PRO A 74 -13.001 5.826 2.961 1.00 0.00 O ATOM 951 CB PRO A 74 -14.041 8.223 0.814 1.00 0.00 C ATOM 952 CG PRO A 74 -14.022 8.590 -0.667 1.00 0.00 C ATOM 953 CD PRO A 74 -13.723 7.261 -1.364 1.00 0.00 C ATOM 0 HA PRO A 74 -12.080 7.445 1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.034 7.903 1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.766 9.074 1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.977 9.006 -0.989 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.259 9.337 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.637 6.701 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.231 7.418 -2.324 1.00 0.00 H new ATOM 961 N GLY A 75 -14.527 5.229 1.408 1.00 0.00 N ATOM 962 CA GLY A 75 -15.196 4.111 2.106 1.00 0.00 C ATOM 963 C GLY A 75 -14.217 3.063 2.655 1.00 0.00 C ATOM 964 O GLY A 75 -14.403 2.526 3.744 1.00 0.00 O ATOM 0 H GLY A 75 -14.884 5.352 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.790 4.509 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.889 3.626 1.419 1.00 0.00 H new ATOM 968 N ILE A 76 -13.125 2.857 1.924 1.00 0.00 N ATOM 969 CA ILE A 76 -12.017 1.987 2.339 1.00 0.00 C ATOM 970 C ILE A 76 -11.307 2.609 3.553 1.00 0.00 C ATOM 971 O ILE A 76 -11.372 2.075 4.653 1.00 0.00 O ATOM 972 CB ILE A 76 -11.140 1.745 1.104 1.00 0.00 C ATOM 973 CG1 ILE A 76 -11.894 0.958 0.017 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.813 1.067 1.443 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.567 -0.336 0.485 1.00 0.00 C ATOM 0 H ILE A 76 -12.978 3.293 1.014 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.343 1.007 2.687 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.901 2.732 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.656 1.607 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.194 0.714 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.235 0.921 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.249 1.695 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.007 0.100 1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.069 -0.811 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.813 -1.013 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.298 -0.106 1.260 1.00 0.00 H new ATOM 987 N ALA A 77 -10.878 3.855 3.368 1.00 0.00 N ATOM 988 CA ALA A 77 -10.257 4.654 4.437 1.00 0.00 C ATOM 989 C ALA A 77 -11.119 4.758 5.703 1.00 0.00 C ATOM 990 O ALA A 77 -10.593 4.608 6.810 1.00 0.00 O ATOM 991 CB ALA A 77 -9.932 6.057 3.893 1.00 0.00 C ATOM 0 H ALA A 77 -10.948 4.345 2.476 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.345 4.139 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.472 6.655 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.243 5.971 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.851 6.540 3.561 1.00 0.00 H new ATOM 997 N THR A 78 -12.439 4.845 5.503 1.00 0.00 N ATOM 998 CA THR A 78 -13.455 4.820 6.581 1.00 0.00 C ATOM 999 C THR A 78 -13.349 3.494 7.355 1.00 0.00 C ATOM 1000 O THR A 78 -13.033 3.459 8.542 1.00 0.00 O ATOM 1001 CB THR A 78 -14.843 4.811 5.943 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.993 5.878 5.007 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.997 4.862 6.949 1.00 0.00 C ATOM 0 H THR A 78 -12.847 4.937 4.573 1.00 0.00 H new ATOM 0 HA THR A 78 -13.299 5.681 7.231 1.00 0.00 H new ATOM 0 HB THR A 78 -14.904 3.850 5.432 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.328 5.783 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.947 4.852 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.943 3.996 7.609 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.924 5.774 7.541 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.568 2.417 6.600 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.658 1.043 7.099 1.00 0.00 C ATOM 1013 C GLN A 79 -12.425 0.579 7.904 1.00 0.00 C ATOM 1014 O GLN A 79 -12.563 -0.149 8.876 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.856 0.100 5.909 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.268 -1.322 6.297 1.00 0.00 C ATOM 1017 CD GLN A 79 -15.595 -1.374 7.067 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -16.678 -1.339 6.508 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -15.512 -1.369 8.388 1.00 0.00 N ATOM 0 H GLN A 79 -13.692 2.479 5.589 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.502 1.018 7.788 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.616 0.519 5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.929 0.054 5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.354 -1.928 5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.483 -1.768 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.599 -1.399 8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.361 -1.336 8.952 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.263 1.034 7.452 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.961 0.677 8.049 1.00 0.00 C ATOM 1030 C TYR A 80 -9.449 1.719 9.050 1.00 0.00 C ATOM 1031 O TYR A 80 -8.388 1.544 9.650 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.953 0.408 6.940 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.376 -0.790 6.076 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.604 -2.035 6.689 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.919 -0.479 4.815 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.458 -2.965 6.066 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.787 -1.389 4.192 1.00 0.00 C ATOM 1038 CZ TYR A 80 -11.049 -2.619 4.829 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.817 -3.540 4.188 1.00 0.00 O ATOM 0 H TYR A 80 -11.186 1.666 6.655 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.100 -0.232 8.634 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.855 1.294 6.313 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.973 0.216 7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.129 -2.275 7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.669 0.453 4.330 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.658 -3.923 6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.245 -1.152 3.243 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.169 -3.153 3.359 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.273 2.748 9.266 1.00 0.00 N ATOM 1050 CA ASN A 81 -10.011 3.880 10.177 1.00 0.00 C ATOM 1051 C ASN A 81 -8.597 4.465 10.034 1.00 0.00 C ATOM 1052 O ASN A 81 -7.875 4.761 10.990 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.358 3.432 11.606 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.852 4.612 12.428 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -9.927 5.453 12.835 1.00 0.00 O flip ATOM 1056 ND2 ASN A 81 -12.040 4.827 12.648 1.00 0.00 N flip ATOM 0 H ASN A 81 -11.176 2.824 8.797 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.651 4.719 9.905 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.124 2.657 11.575 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.480 2.993 12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.746 4.165 12.326 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.321 5.667 13.153 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.244 4.678 8.768 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.936 5.241 8.381 1.00 0.00 C ATOM 1065 C ILE A 82 -7.130 6.753 8.252 1.00 0.00 C ATOM 1066 O ILE A 82 -8.094 7.241 7.663 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.318 4.497 7.173 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.905 4.850 5.812 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.361 2.975 7.336 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.320 6.166 5.291 1.00 0.00 C ATOM 0 H ILE A 82 -8.851 4.468 7.976 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.166 5.083 9.137 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.288 4.854 7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.697 4.049 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.989 4.934 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.915 2.503 6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.803 2.689 8.227 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.396 2.649 7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.754 6.397 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.550 6.969 5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.239 6.070 5.192 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.372 7.411 9.113 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.360 8.877 9.215 1.00 0.00 C ATOM 1084 C ARG A 83 -5.063 9.512 8.727 1.00 0.00 C ATOM 1085 O ARG A 83 -5.030 10.661 8.280 1.00 0.00 O ATOM 1086 CB ARG A 83 -6.573 9.300 10.667 1.00 0.00 C ATOM 1087 CG ARG A 83 -7.945 8.820 11.120 1.00 0.00 C ATOM 1088 CD ARG A 83 -8.266 9.343 12.505 1.00 0.00 C ATOM 1089 NE ARG A 83 -9.540 8.703 12.865 1.00 0.00 N ATOM 1090 CZ ARG A 83 -9.797 8.127 14.031 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -8.861 7.936 14.934 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -10.999 7.596 14.249 1.00 0.00 N ATOM 0 H ARG A 83 -5.741 6.949 9.768 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.167 9.226 8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.796 8.875 11.302 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.503 10.384 10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.704 9.156 10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.972 7.730 11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.480 9.087 13.216 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.355 10.429 12.506 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.282 8.702 12.165 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.904 8.234 14.747 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.092 7.490 15.822 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.713 7.635 13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.205 7.151 15.143 1.00 0.00 H new ATOM 1106 N SER A 84 -4.013 8.716 8.781 1.00 0.00 N ATOM 1107 CA SER A 84 -2.659 9.184 8.453 1.00 0.00 C ATOM 1108 C SER A 84 -2.144 8.544 7.165 1.00 0.00 C ATOM 1109 O SER A 84 -1.889 7.339 7.070 1.00 0.00 O ATOM 1110 CB SER A 84 -1.703 8.920 9.613 1.00 0.00 C ATOM 1111 OG SER A 84 -1.873 7.566 10.028 1.00 0.00 O ATOM 0 H SER A 84 -4.061 7.733 9.050 1.00 0.00 H new ATOM 0 HA SER A 84 -2.709 10.260 8.287 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.673 9.097 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.910 9.600 10.439 1.00 0.00 H new ATOM 0 HG SER A 84 -1.784 6.973 9.253 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.145 9.397 6.154 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.686 9.080 4.800 1.00 0.00 C ATOM 1119 C ILE A 85 -0.204 9.510 4.713 1.00 0.00 C ATOM 1120 O ILE A 85 0.085 10.640 5.097 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.636 9.788 3.802 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.999 9.089 3.727 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -2.040 10.013 2.401 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.942 7.634 3.240 1.00 0.00 C ATOM 0 H ILE A 85 -2.473 10.358 6.249 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.722 8.020 4.550 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.782 10.787 4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.459 9.110 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.648 9.657 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.774 10.514 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.147 10.633 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.777 9.052 1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.949 7.218 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.514 7.602 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.322 7.047 3.918 1.00 0.00 H new ATOM 1136 N PRO A 86 0.674 8.647 4.183 1.00 0.00 N ATOM 1137 CA PRO A 86 0.371 7.301 3.631 1.00 0.00 C ATOM 1138 C PRO A 86 0.166 6.215 4.694 1.00 0.00 C ATOM 1139 O PRO A 86 0.830 6.190 5.725 1.00 0.00 O ATOM 1140 CB PRO A 86 1.546 6.999 2.710 1.00 0.00 C ATOM 1141 CG PRO A 86 2.722 7.767 3.308 1.00 0.00 C ATOM 1142 CD PRO A 86 2.095 8.994 3.962 1.00 0.00 C ATOM 0 HA PRO A 86 -0.585 7.302 3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.752 5.929 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.341 7.322 1.689 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.260 7.161 4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.440 8.052 2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.591 9.233 4.903 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.189 9.871 3.321 1.00 0.00 H new ATOM 1150 N THR A 87 -0.714 5.283 4.356 1.00 0.00 N ATOM 1151 CA THR A 87 -1.089 4.180 5.254 1.00 0.00 C ATOM 1152 C THR A 87 -0.914 2.856 4.531 1.00 0.00 C ATOM 1153 O THR A 87 -1.748 2.441 3.729 1.00 0.00 O ATOM 1154 CB THR A 87 -2.548 4.231 5.731 1.00 0.00 C ATOM 1155 OG1 THR A 87 -3.091 5.556 5.674 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.610 3.681 7.148 1.00 0.00 C ATOM 0 H THR A 87 -1.192 5.263 3.455 1.00 0.00 H new ATOM 0 HA THR A 87 -0.439 4.279 6.124 1.00 0.00 H new ATOM 0 HB THR A 87 -3.157 3.622 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.826 6.053 6.476 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.640 3.709 7.504 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.252 2.652 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.983 4.288 7.802 1.00 0.00 H new ATOM 1164 N VAL A 88 0.090 2.112 4.977 1.00 0.00 N ATOM 1165 CA VAL A 88 0.358 0.803 4.379 1.00 0.00 C ATOM 1166 C VAL A 88 -0.211 -0.328 5.258 1.00 0.00 C ATOM 1167 O VAL A 88 0.091 -0.430 6.442 1.00 0.00 O ATOM 1168 CB VAL A 88 1.828 0.671 3.951 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.780 0.588 5.138 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.034 -0.527 3.019 1.00 0.00 C ATOM 0 H VAL A 88 0.721 2.380 5.732 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.185 0.703 3.439 1.00 0.00 H new ATOM 0 HB VAL A 88 2.068 1.583 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.804 0.496 4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.688 1.491 5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.530 -0.282 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.085 -0.591 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.740 -1.442 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.424 -0.401 2.125 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.231 -0.960 4.691 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.949 -2.078 5.328 1.00 0.00 C ATOM 1182 C LEU A 89 -1.449 -3.414 4.777 1.00 0.00 C ATOM 1183 O LEU A 89 -1.175 -3.548 3.585 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.464 -1.963 5.073 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.242 -0.967 5.939 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.791 0.489 5.771 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.712 -1.059 5.552 1.00 0.00 C ATOM 0 H LEU A 89 -1.593 -0.716 3.769 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.760 -2.033 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.612 -1.691 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.906 -2.950 5.211 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.059 -1.235 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.389 1.132 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.739 0.578 6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.923 0.793 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.291 -0.359 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.827 -0.811 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.072 -2.073 5.728 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.375 -4.383 5.683 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.890 -5.732 5.402 1.00 0.00 C ATOM 1201 C PHE A 90 -1.975 -6.745 5.754 1.00 0.00 C ATOM 1202 O PHE A 90 -2.501 -6.823 6.873 1.00 0.00 O ATOM 1203 CB PHE A 90 0.383 -6.084 6.182 1.00 0.00 C ATOM 1204 CG PHE A 90 1.476 -5.036 6.047 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.316 -5.075 4.914 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.491 -3.952 6.943 1.00 0.00 C ATOM 1207 CE1 PHE A 90 3.194 -3.991 4.685 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.361 -2.869 6.703 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.200 -2.907 5.570 1.00 0.00 C ATOM 0 H PHE A 90 -1.656 -4.251 6.655 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.647 -5.766 4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.134 -6.206 7.236 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.763 -7.043 5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.289 -5.915 4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.842 -3.949 7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.856 -3.999 3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.385 -2.024 7.376 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.865 -2.077 5.380 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.283 -7.448 4.696 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.322 -8.464 4.568 1.00 0.00 C ATOM 1221 C PHE A 91 -2.716 -9.834 4.298 1.00 0.00 C ATOM 1222 O PHE A 91 -1.736 -9.978 3.582 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.216 -8.086 3.384 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.108 -6.895 3.707 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.640 -5.574 3.491 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.446 -7.154 4.073 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.543 -4.505 3.647 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.349 -6.085 4.229 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.881 -4.763 4.014 1.00 0.00 C ATOM 0 H PHE A 91 -1.776 -7.321 3.820 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.889 -8.511 5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.595 -7.851 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.835 -8.940 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.613 -5.392 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.777 -8.170 4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.212 -3.490 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.377 -6.268 4.507 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.564 -3.935 4.134 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.377 -10.806 4.896 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.119 -12.234 4.639 1.00 0.00 C ATOM 1241 C LYS A 92 -4.457 -12.953 4.487 1.00 0.00 C ATOM 1242 O LYS A 92 -5.176 -13.208 5.457 1.00 0.00 O ATOM 1243 CB LYS A 92 -2.233 -12.855 5.712 1.00 0.00 C ATOM 1244 CG LYS A 92 -1.700 -14.176 5.180 1.00 0.00 C ATOM 1245 CD LYS A 92 -0.666 -14.728 6.138 1.00 0.00 C ATOM 1246 CE LYS A 92 -1.227 -15.896 6.936 1.00 0.00 C ATOM 1247 NZ LYS A 92 -0.215 -16.170 7.962 1.00 0.00 N ATOM 0 H LYS A 92 -4.115 -10.640 5.580 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.559 -12.342 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.410 -12.185 5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.801 -13.015 6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.517 -14.888 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.257 -14.031 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.213 -15.053 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.340 -13.942 6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.187 -15.643 7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.392 -16.766 6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.528 -16.965 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.686 -16.414 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.085 -15.326 8.555 1.00 0.00 H new ATOM 1261 N ASN A 93 -4.877 -12.826 3.247 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.152 -13.339 2.686 1.00 0.00 C ATOM 1263 C ASN A 93 -7.364 -12.929 3.533 1.00 0.00 C ATOM 1264 O ASN A 93 -7.827 -13.628 4.435 1.00 0.00 O ATOM 1265 CB ASN A 93 -6.089 -14.863 2.475 1.00 0.00 C ATOM 1266 CG ASN A 93 -7.261 -15.336 1.609 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -7.194 -15.365 0.391 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -8.370 -15.639 2.240 1.00 0.00 N ATOM 0 H ASN A 93 -4.321 -12.337 2.546 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.287 -12.875 1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.146 -15.131 1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.114 -15.371 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.201 -15.906 1.712 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.402 -15.608 3.259 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.809 -11.712 3.215 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.983 -11.058 3.832 1.00 0.00 C ATOM 1277 C GLY A 94 -8.859 -10.761 5.333 1.00 0.00 C ATOM 1278 O GLY A 94 -9.818 -10.359 5.978 1.00 0.00 O ATOM 0 H GLY A 94 -7.358 -11.134 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.173 -10.121 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.855 -11.693 3.675 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.617 -10.792 5.808 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.306 -10.591 7.218 1.00 0.00 C ATOM 1284 C GLU A 95 -6.239 -9.501 7.271 1.00 0.00 C ATOM 1285 O GLU A 95 -5.186 -9.639 6.659 1.00 0.00 O ATOM 1286 CB GLU A 95 -6.705 -11.857 7.817 1.00 0.00 C ATOM 1287 CG GLU A 95 -7.684 -13.027 7.854 1.00 0.00 C ATOM 1288 CD GLU A 95 -6.988 -14.305 8.336 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -7.379 -15.385 7.830 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -6.115 -14.200 9.241 1.00 0.00 O ATOM 0 H GLU A 95 -6.797 -10.958 5.224 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.208 -10.330 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.827 -12.144 7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.363 -11.645 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.517 -12.789 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.103 -13.188 6.861 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.505 -8.524 8.110 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.628 -7.358 8.230 1.00 0.00 C ATOM 1300 C ARG A 96 -4.819 -7.486 9.511 1.00 0.00 C ATOM 1301 O ARG A 96 -5.319 -7.407 10.639 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.455 -6.070 8.227 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.550 -4.887 7.922 1.00 0.00 C ATOM 1304 CD ARG A 96 -6.189 -3.582 8.373 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.270 -3.576 9.843 1.00 0.00 N ATOM 1306 CZ ARG A 96 -6.479 -2.519 10.629 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -7.107 -1.441 10.180 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -6.440 -2.683 11.946 1.00 0.00 N ATOM 0 H ARG A 96 -7.320 -8.505 8.724 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.947 -7.314 7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.248 -6.136 7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.937 -5.933 9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.591 -5.019 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.347 -4.846 6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.601 -2.733 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.184 -3.480 7.940 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.154 -4.475 10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.441 -1.409 9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.256 -0.643 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.253 -3.605 12.340 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.597 -1.887 12.564 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.553 -7.734 9.248 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.530 -8.127 10.231 1.00 0.00 C ATOM 1324 C LYS A 97 -1.891 -6.894 10.892 1.00 0.00 C ATOM 1325 O LYS A 97 -1.903 -6.752 12.108 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.421 -8.929 9.521 1.00 0.00 C ATOM 1327 CG LYS A 97 -1.913 -9.881 8.414 1.00 0.00 C ATOM 1328 CD LYS A 97 -2.815 -11.020 8.887 1.00 0.00 C ATOM 1329 CE LYS A 97 -2.126 -11.989 9.857 1.00 0.00 C ATOM 1330 NZ LYS A 97 -3.058 -13.066 10.210 1.00 0.00 N ATOM 0 H LYS A 97 -3.178 -7.668 8.302 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.014 -8.730 10.999 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.708 -8.228 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.881 -9.512 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.453 -9.297 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.045 -10.310 7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.695 -10.598 9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.167 -11.577 8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.229 -12.405 9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.808 -11.459 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.594 -13.725 10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.901 -12.660 10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.340 -13.577 9.349 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.421 -6.002 10.035 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.699 -4.793 10.450 1.00 0.00 C ATOM 1346 C GLU A 98 -1.045 -3.618 9.533 1.00 0.00 C ATOM 1347 O GLU A 98 -1.390 -3.809 8.369 1.00 0.00 O ATOM 1348 CB GLU A 98 0.792 -5.134 10.441 1.00 0.00 C ATOM 1349 CG GLU A 98 1.712 -4.066 11.019 1.00 0.00 C ATOM 1350 CD GLU A 98 1.316 -3.601 12.433 1.00 0.00 C ATOM 1351 OE1 GLU A 98 0.736 -2.501 12.509 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.610 -4.335 13.398 1.00 0.00 O ATOM 0 H GLU A 98 -1.526 -6.090 9.024 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.989 -4.478 11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.939 -6.057 11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.095 -5.333 9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.730 -4.454 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.717 -3.204 10.352 1.00 0.00 H new ATOM 1360 N SER A 99 -1.177 -2.452 10.155 1.00 0.00 N ATOM 1361 CA SER A 99 -1.467 -1.182 9.487 1.00 0.00 C ATOM 1362 C SER A 99 -0.548 -0.062 9.986 1.00 0.00 C ATOM 1363 O SER A 99 -0.673 0.473 11.087 1.00 0.00 O ATOM 1364 CB SER A 99 -2.946 -0.817 9.685 1.00 0.00 C ATOM 1365 OG SER A 99 -3.277 -0.970 11.069 1.00 0.00 O ATOM 0 H SER A 99 -1.083 -2.358 11.166 1.00 0.00 H new ATOM 0 HA SER A 99 -1.274 -1.300 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.128 0.209 9.365 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.579 -1.459 9.072 1.00 0.00 H new ATOM 0 HG SER A 99 -2.580 -0.556 11.620 1.00 0.00 H new ATOM 1371 N ILE A 100 0.369 0.288 9.114 1.00 0.00 N ATOM 1372 CA ILE A 100 1.392 1.313 9.391 1.00 0.00 C ATOM 1373 C ILE A 100 0.852 2.696 9.010 1.00 0.00 C ATOM 1374 O ILE A 100 0.895 3.137 7.861 1.00 0.00 O ATOM 1375 CB ILE A 100 2.721 0.941 8.694 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.260 -0.432 9.126 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.796 2.025 8.828 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.365 -0.656 10.643 1.00 0.00 C ATOM 0 H ILE A 100 0.441 -0.123 8.183 1.00 0.00 H new ATOM 0 HA ILE A 100 1.616 1.353 10.457 1.00 0.00 H new ATOM 0 HB ILE A 100 2.472 0.870 7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.615 -1.204 8.706 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.248 -0.569 8.687 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.704 1.703 8.318 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.437 2.951 8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.013 2.193 9.883 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.756 -1.655 10.837 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.036 0.086 11.075 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.378 -0.559 11.094 1.00 0.00 H new ATOM 1390 N ILE A 101 0.194 3.246 10.015 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.383 4.595 10.033 1.00 0.00 C ATOM 1392 C ILE A 101 0.657 5.737 10.059 1.00 0.00 C ATOM 1393 O ILE A 101 0.703 6.553 10.982 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.458 4.697 11.145 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.292 3.807 12.388 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -2.854 4.533 10.555 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -0.210 4.297 13.359 1.00 0.00 C ATOM 0 H ILE A 101 0.035 2.745 10.889 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.878 4.747 9.074 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.305 5.701 11.540 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.244 3.755 12.916 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.049 2.794 12.068 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.596 4.607 11.350 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.032 5.316 9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.934 3.558 10.074 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.151 3.619 14.210 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.753 4.323 12.848 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.462 5.298 13.709 1.00 0.00 H new ATOM 1409 N GLY A 102 1.298 5.882 8.898 1.00 0.00 N ATOM 1410 CA GLY A 102 2.362 6.862 8.615 1.00 0.00 C ATOM 1411 C GLY A 102 3.583 6.141 8.012 1.00 0.00 C ATOM 1412 O GLY A 102 4.670 6.098 8.586 1.00 0.00 O ATOM 0 H GLY A 102 1.084 5.297 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.997 7.621 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.648 7.378 9.532 1.00 0.00 H new ATOM 1416 N ALA A 103 3.394 5.717 6.761 1.00 0.00 N ATOM 1417 CA ALA A 103 4.339 4.863 6.013 1.00 0.00 C ATOM 1418 C ALA A 103 5.515 5.616 5.370 1.00 0.00 C ATOM 1419 O ALA A 103 5.554 5.897 4.173 1.00 0.00 O ATOM 1420 CB ALA A 103 3.539 4.066 4.991 1.00 0.00 C ATOM 0 H ALA A 103 2.563 5.959 6.221 1.00 0.00 H new ATOM 0 HA ALA A 103 4.828 4.198 6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.212 3.425 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.801 3.451 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.031 4.751 4.312 1.00 0.00 H new ATOM 1426 N VAL A 104 6.487 5.934 6.221 1.00 0.00 N ATOM 1427 CA VAL A 104 7.717 6.643 5.802 1.00 0.00 C ATOM 1428 C VAL A 104 9.009 5.784 5.855 1.00 0.00 C ATOM 1429 O VAL A 104 9.689 5.725 4.826 1.00 0.00 O ATOM 1430 CB VAL A 104 7.804 8.027 6.502 1.00 0.00 C ATOM 1431 CG1 VAL A 104 9.138 8.758 6.294 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.662 8.939 6.031 1.00 0.00 C ATOM 0 H VAL A 104 6.456 5.714 7.217 1.00 0.00 H new ATOM 0 HA VAL A 104 7.637 6.840 4.733 1.00 0.00 H new ATOM 0 HB VAL A 104 7.721 7.813 7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.114 9.715 6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.952 8.150 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.297 8.929 5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.738 9.905 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.732 9.082 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.705 8.478 6.274 1.00 0.00 H new ATOM 1442 N PRO A 105 9.370 5.095 6.960 1.00 0.00 N ATOM 1443 CA PRO A 105 10.593 4.281 7.008 1.00 0.00 C ATOM 1444 C PRO A 105 10.375 2.926 6.336 1.00 0.00 C ATOM 1445 O PRO A 105 9.698 2.042 6.837 1.00 0.00 O ATOM 1446 CB PRO A 105 10.958 4.162 8.493 1.00 0.00 C ATOM 1447 CG PRO A 105 9.643 4.385 9.249 1.00 0.00 C ATOM 1448 CD PRO A 105 8.684 5.055 8.267 1.00 0.00 C ATOM 0 HA PRO A 105 11.414 4.738 6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.380 3.182 8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.705 4.903 8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.235 3.439 9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 105 9.802 5.013 10.126 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.751 4.497 8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.429 6.061 8.601 1.00 0.00 H new ATOM 1456 N LYS A 106 11.023 2.810 5.186 1.00 0.00 N ATOM 1457 CA LYS A 106 10.982 1.614 4.304 1.00 0.00 C ATOM 1458 C LYS A 106 11.141 0.293 5.093 1.00 0.00 C ATOM 1459 O LYS A 106 10.302 -0.601 5.018 1.00 0.00 O ATOM 1460 CB LYS A 106 12.056 1.771 3.239 1.00 0.00 C ATOM 1461 CG LYS A 106 11.901 0.656 2.209 1.00 0.00 C ATOM 1462 CD LYS A 106 12.923 0.841 1.093 1.00 0.00 C ATOM 1463 CE LYS A 106 12.906 -0.366 0.153 1.00 0.00 C ATOM 1464 NZ LYS A 106 13.368 -1.565 0.861 1.00 0.00 N ATOM 0 H LYS A 106 11.612 3.556 4.815 1.00 0.00 H new ATOM 0 HA LYS A 106 10.002 1.551 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.968 2.744 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.046 1.729 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.040 -0.314 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.892 0.667 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.700 1.750 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.919 0.965 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.897 -0.526 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.545 -0.174 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.183 -1.972 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 13.650 -1.310 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.599 -2.264 0.898 1.00 0.00 H new ATOM 1478 N SER A 107 12.172 0.242 5.931 1.00 0.00 N ATOM 1479 CA SER A 107 12.494 -0.943 6.762 1.00 0.00 C ATOM 1480 C SER A 107 11.382 -1.385 7.723 1.00 0.00 C ATOM 1481 O SER A 107 11.224 -2.577 7.966 1.00 0.00 O ATOM 1482 CB SER A 107 13.794 -0.672 7.525 1.00 0.00 C ATOM 1483 OG SER A 107 13.707 0.619 8.128 1.00 0.00 O ATOM 0 H SER A 107 12.819 1.019 6.063 1.00 0.00 H new ATOM 0 HA SER A 107 12.607 -1.782 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.952 -1.436 8.287 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.647 -0.717 6.848 1.00 0.00 H new ATOM 0 HG SER A 107 14.533 0.806 8.622 1.00 0.00 H new ATOM 1489 N THR A 108 10.581 -0.448 8.237 1.00 0.00 N ATOM 1490 CA THR A 108 9.391 -0.762 9.064 1.00 0.00 C ATOM 1491 C THR A 108 8.313 -1.534 8.312 1.00 0.00 C ATOM 1492 O THR A 108 7.721 -2.483 8.818 1.00 0.00 O ATOM 1493 CB THR A 108 8.819 0.549 9.641 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.866 1.193 10.360 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.594 0.362 10.528 1.00 0.00 C ATOM 0 H THR A 108 10.731 0.551 8.097 1.00 0.00 H new ATOM 0 HA THR A 108 9.718 -1.421 9.868 1.00 0.00 H new ATOM 0 HB THR A 108 8.466 1.157 8.808 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.484 1.717 11.094 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.256 1.333 10.891 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.796 -0.107 9.952 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.852 -0.273 11.375 1.00 0.00 H new ATOM 1503 N LEU A 109 8.068 -1.058 7.095 1.00 0.00 N ATOM 1504 CA LEU A 109 7.179 -1.687 6.109 1.00 0.00 C ATOM 1505 C LEU A 109 7.584 -3.159 5.898 1.00 0.00 C ATOM 1506 O LEU A 109 6.805 -4.035 6.263 1.00 0.00 O ATOM 1507 CB LEU A 109 7.237 -0.908 4.785 1.00 0.00 C ATOM 1508 CG LEU A 109 6.402 0.369 4.831 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.914 1.510 5.697 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.234 0.884 3.394 1.00 0.00 C ATOM 0 H LEU A 109 8.494 -0.197 6.752 1.00 0.00 H new ATOM 0 HA LEU A 109 6.154 -1.664 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.273 -0.655 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.881 -1.544 3.975 1.00 0.00 H new ATOM 0 HG LEU A 109 5.469 0.069 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.224 2.351 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.988 1.176 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.898 1.821 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.639 1.798 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.214 1.093 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.729 0.128 2.793 1.00 0.00 H new ATOM 1522 N THR A 110 8.891 -3.358 5.716 1.00 0.00 N ATOM 1523 CA THR A 110 9.486 -4.699 5.565 1.00 0.00 C ATOM 1524 C THR A 110 9.256 -5.580 6.807 1.00 0.00 C ATOM 1525 O THR A 110 8.712 -6.681 6.736 1.00 0.00 O ATOM 1526 CB THR A 110 10.986 -4.647 5.244 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.239 -3.709 4.199 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.445 -6.037 4.802 1.00 0.00 C ATOM 0 H THR A 110 9.571 -2.599 5.668 1.00 0.00 H new ATOM 0 HA THR A 110 8.971 -5.149 4.716 1.00 0.00 H new ATOM 0 HB THR A 110 11.533 -4.334 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.518 -4.187 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.510 -6.012 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.264 -6.752 5.605 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.888 -6.339 3.915 1.00 0.00 H new ATOM 1536 N ASP A 111 9.615 -4.984 7.930 1.00 0.00 N ATOM 1537 CA ASP A 111 9.469 -5.544 9.277 1.00 0.00 C ATOM 1538 C ASP A 111 8.047 -6.091 9.502 1.00 0.00 C ATOM 1539 O ASP A 111 7.866 -7.298 9.650 1.00 0.00 O ATOM 1540 CB ASP A 111 9.790 -4.363 10.205 1.00 0.00 C ATOM 1541 CG ASP A 111 10.004 -4.773 11.665 1.00 0.00 C ATOM 1542 OD1 ASP A 111 8.972 -4.924 12.356 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.183 -4.850 12.065 1.00 0.00 O ATOM 0 H ASP A 111 10.036 -4.055 7.937 1.00 0.00 H new ATOM 0 HA ASP A 111 10.126 -6.395 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.686 -3.860 9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.976 -3.640 10.155 1.00 0.00 H new ATOM 1549 N SER A 112 7.092 -5.236 9.154 1.00 0.00 N ATOM 1550 CA SER A 112 5.645 -5.472 9.233 1.00 0.00 C ATOM 1551 C SER A 112 5.059 -6.614 8.392 1.00 0.00 C ATOM 1552 O SER A 112 3.941 -7.056 8.667 1.00 0.00 O ATOM 1553 CB SER A 112 4.868 -4.193 8.919 1.00 0.00 C ATOM 1554 OG SER A 112 5.127 -3.219 9.936 1.00 0.00 O ATOM 0 H SER A 112 7.312 -4.309 8.789 1.00 0.00 H new ATOM 0 HA SER A 112 5.523 -5.796 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.163 -3.805 7.944 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.800 -4.406 8.867 1.00 0.00 H new ATOM 0 HG SER A 112 5.999 -2.802 9.775 1.00 0.00 H new ATOM 1560 N ILE A 113 5.797 -7.074 7.387 1.00 0.00 N ATOM 1561 CA ILE A 113 5.366 -8.206 6.557 1.00 0.00 C ATOM 1562 C ILE A 113 5.887 -9.513 7.189 1.00 0.00 C ATOM 1563 O ILE A 113 5.143 -10.465 7.438 1.00 0.00 O ATOM 1564 CB ILE A 113 5.856 -8.167 5.121 1.00 0.00 C ATOM 1565 CG1 ILE A 113 5.459 -6.845 4.506 1.00 0.00 C ATOM 1566 CG2 ILE A 113 5.283 -9.288 4.260 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.762 -6.258 4.052 1.00 0.00 C ATOM 0 H ILE A 113 6.701 -6.682 7.123 1.00 0.00 H new ATOM 0 HA ILE A 113 4.278 -8.148 6.524 1.00 0.00 H new ATOM 0 HB ILE A 113 6.938 -8.296 5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.770 -6.982 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.960 -6.200 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.673 -9.203 3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.570 -10.252 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.196 -9.211 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.582 -5.289 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.423 -6.132 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.230 -6.926 3.328 1.00 0.00 H new ATOM 1579 N GLU A 114 7.215 -9.510 7.326 1.00 0.00 N ATOM 1580 CA GLU A 114 8.018 -10.608 7.913 1.00 0.00 C ATOM 1581 C GLU A 114 7.413 -11.114 9.232 1.00 0.00 C ATOM 1582 O GLU A 114 7.331 -12.305 9.482 1.00 0.00 O ATOM 1583 CB GLU A 114 9.443 -10.112 8.154 1.00 0.00 C ATOM 1584 CG GLU A 114 10.086 -9.645 6.846 1.00 0.00 C ATOM 1585 CD GLU A 114 11.463 -9.016 7.088 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.461 -9.682 6.723 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.494 -7.895 7.627 1.00 0.00 O ATOM 0 H GLU A 114 7.788 -8.722 7.025 1.00 0.00 H new ATOM 0 HA GLU A 114 8.021 -11.442 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.430 -9.291 8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.041 -10.910 8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.186 -10.491 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.435 -8.920 6.358 1.00 0.00 H new ATOM 1595 N LYS A 115 6.843 -10.136 9.928 1.00 0.00 N ATOM 1596 CA LYS A 115 5.978 -10.266 11.114 1.00 0.00 C ATOM 1597 C LYS A 115 5.003 -11.466 11.054 1.00 0.00 C ATOM 1598 O LYS A 115 4.910 -12.236 12.006 1.00 0.00 O ATOM 1599 CB LYS A 115 5.225 -8.937 11.100 1.00 0.00 C ATOM 1600 CG LYS A 115 4.217 -8.805 12.250 1.00 0.00 C ATOM 1601 CD LYS A 115 3.521 -7.453 12.187 1.00 0.00 C ATOM 1602 CE LYS A 115 4.417 -6.314 12.674 1.00 0.00 C ATOM 1603 NZ LYS A 115 4.548 -6.393 14.139 1.00 0.00 N ATOM 0 H LYS A 115 6.978 -9.159 9.666 1.00 0.00 H new ATOM 0 HA LYS A 115 6.549 -10.461 12.022 1.00 0.00 H new ATOM 0 HB2 LYS A 115 5.943 -8.119 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.700 -8.834 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.479 -9.605 12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.729 -8.914 13.206 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.211 -7.254 11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.616 -7.485 12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.399 -6.382 12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 115 3.992 -5.352 12.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 4.901 -5.486 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 3.619 -6.598 14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.216 -7.151 14.387 1.00 0.00 H new ATOM 1617 N TYR A 116 4.246 -11.545 9.973 1.00 0.00 N ATOM 1618 CA TYR A 116 3.253 -12.621 9.756 1.00 0.00 C ATOM 1619 C TYR A 116 3.695 -13.744 8.803 1.00 0.00 C ATOM 1620 O TYR A 116 3.069 -14.800 8.769 1.00 0.00 O ATOM 1621 CB TYR A 116 1.892 -12.044 9.361 1.00 0.00 C ATOM 1622 CG TYR A 116 1.994 -11.138 8.138 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.019 -11.721 6.850 1.00 0.00 C ATOM 1624 CD2 TYR A 116 1.979 -9.745 8.348 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.032 -10.884 5.727 1.00 0.00 C ATOM 1626 CE2 TYR A 116 1.970 -8.910 7.223 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.000 -9.485 5.932 1.00 0.00 C ATOM 1628 OH TYR A 116 1.946 -8.688 4.832 1.00 0.00 O ATOM 0 H TYR A 116 4.291 -10.870 9.210 1.00 0.00 H new ATOM 0 HA TYR A 116 3.162 -13.115 10.723 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.198 -12.859 9.153 1.00 0.00 H new ATOM 0 HB3 TYR A 116 1.480 -11.480 10.198 1.00 0.00 H new ATOM 0 HD1 TYR A 116 2.028 -12.795 6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 116 1.975 -9.333 9.346 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.066 -11.297 4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 116 1.940 -7.837 7.341 1.00 0.00 H new ATOM 0 HH TYR A 116 1.476 -9.157 4.111 1.00 0.00 H new ATOM 1638 N LEU A 117 4.727 -13.493 7.977 1.00 0.00 N ATOM 1639 CA LEU A 117 5.429 -14.554 7.211 1.00 0.00 C ATOM 1640 C LEU A 117 6.264 -15.478 8.120 1.00 0.00 C ATOM 1641 O LEU A 117 7.058 -16.320 7.682 1.00 0.00 O ATOM 1642 CB LEU A 117 6.421 -13.940 6.203 1.00 0.00 C ATOM 1643 CG LEU A 117 5.851 -12.956 5.184 1.00 0.00 C ATOM 1644 CD1 LEU A 117 6.999 -12.474 4.309 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.736 -13.565 4.320 1.00 0.00 C ATOM 0 H LEU A 117 5.100 -12.557 7.818 1.00 0.00 H new ATOM 0 HA LEU A 117 4.643 -15.121 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.204 -13.431 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.898 -14.754 5.658 1.00 0.00 H new ATOM 0 HG LEU A 117 5.391 -12.127 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.621 -11.768 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.748 -11.983 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.451 -13.325 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.372 -12.817 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.128 -14.421 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.916 -13.890 4.960 1.00 0.00 H new TER 1657 LEU A 117