USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 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 97 LYS NZ :NH3+ -145:sc= 0.313 (180deg=-0.311) USER MOD Set 1.2: A 116 TYR OH : rot -169:sc= -0.497 USER MOD Set 2.1: A 79 GLN : amide:sc= 0.716 X(o=1.8,f=1.6) USER MOD Set 2.2: A 80 TYR OH : rot 30:sc= 1.1 USER MOD Set 3.1: A 29 SER OG : rot 151:sc= 1.63 USER MOD Set 3.2: A 66 TYR OH : rot 30:sc= 1.08 USER MOD Single : A 15 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.24) USER MOD Single : A 18 ASN : amide:sc= -0.0691 K(o=-0.069,f=-1.5) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 21 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 -108:sc= -5.13! (180deg=-10.8!) USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= 0.00336 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 65:sc= -5.64! USER MOD Single : A 60 SER OG : rot 48:sc= 0.251 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= 0.753 (180deg=0.385) USER MOD Single : A 69 ASN : amide:sc= -1.54 K(o=-1.5,f=-6.7!) USER MOD Single : A 70 THR OG1 : rot -77:sc= 0.22 USER MOD Single : A 78 THR OG1 : rot 164:sc= 0.219 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 54:sc= 0.0364 USER MOD Single : A 87 THR OG1 : rot -60:sc= 1.23 USER MOD Single : A 92 LYS NZ :NH3+ -121:sc= -0.691 (180deg=-3.85!) USER MOD Single : A 93 ASN : amide:sc= 0.879 K(o=0.88,f=-6.8!) USER MOD Single : A 99 SER OG : rot 150:sc= -0.0147 USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= -0.0144 (180deg=-0.241) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -111:sc= 0.626 USER MOD Single : A 112 SER OG : rot 69:sc= 0.361 USER MOD Single : A 115 LYS NZ :NH3+ -128:sc= 0.829 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.696 -3.428 -8.631 1.00 0.00 N ATOM 2 CA VAL A 14 -3.752 -2.497 -9.078 1.00 0.00 C ATOM 3 C VAL A 14 -3.387 -1.080 -8.623 1.00 0.00 C ATOM 4 O VAL A 14 -3.095 -0.835 -7.447 1.00 0.00 O ATOM 5 CB VAL A 14 -5.144 -2.889 -8.532 1.00 0.00 C ATOM 6 CG1 VAL A 14 -6.251 -1.963 -9.047 1.00 0.00 C ATOM 7 CG2 VAL A 14 -5.569 -4.307 -8.919 1.00 0.00 C ATOM 0 HA VAL A 14 -3.812 -2.544 -10.165 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.030 -2.810 -7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.210 -2.279 -8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.043 -0.939 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.289 -2.012 -10.135 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.555 -4.518 -8.504 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.607 -4.392 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.848 -5.023 -8.524 1.00 0.00 H new ATOM 17 N GLN A 15 -3.336 -0.206 -9.612 1.00 0.00 N ATOM 18 CA GLN A 15 -3.234 1.241 -9.374 1.00 0.00 C ATOM 19 C GLN A 15 -4.654 1.814 -9.480 1.00 0.00 C ATOM 20 O GLN A 15 -5.318 1.703 -10.517 1.00 0.00 O ATOM 21 CB GLN A 15 -2.288 1.904 -10.377 1.00 0.00 C ATOM 22 CG GLN A 15 -1.531 3.092 -9.756 1.00 0.00 C ATOM 23 CD GLN A 15 -2.441 4.190 -9.185 1.00 0.00 C ATOM 24 OE1 GLN A 15 -2.700 4.301 -7.997 1.00 0.00 O ATOM 25 NE2 GLN A 15 -2.967 5.025 -10.062 1.00 0.00 N ATOM 0 H GLN A 15 -3.363 -0.466 -10.598 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.815 1.439 -8.387 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.571 1.168 -10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.858 2.248 -11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.885 2.721 -8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.882 3.531 -10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.748 4.928 -11.053 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.593 5.767 -9.748 1.00 0.00 H new ATOM 34 N ASP A 16 -5.090 2.376 -8.364 1.00 0.00 N ATOM 35 CA ASP A 16 -6.473 2.810 -8.098 1.00 0.00 C ATOM 36 C ASP A 16 -7.440 1.635 -7.994 1.00 0.00 C ATOM 37 O ASP A 16 -8.199 1.300 -8.898 1.00 0.00 O ATOM 38 CB ASP A 16 -6.961 3.904 -9.031 1.00 0.00 C ATOM 39 CG ASP A 16 -6.394 5.226 -8.518 1.00 0.00 C ATOM 40 OD1 ASP A 16 -6.483 5.395 -7.279 1.00 0.00 O ATOM 41 OD2 ASP A 16 -5.944 6.029 -9.359 1.00 0.00 O ATOM 0 H ASP A 16 -4.469 2.555 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.450 3.277 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.630 3.714 -10.052 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.050 3.935 -9.050 1.00 0.00 H new ATOM 47 N VAL A 17 -7.255 0.980 -6.856 1.00 0.00 N ATOM 48 CA VAL A 17 -8.020 -0.226 -6.483 1.00 0.00 C ATOM 49 C VAL A 17 -9.534 0.037 -6.454 1.00 0.00 C ATOM 50 O VAL A 17 -10.283 -0.594 -7.208 1.00 0.00 O ATOM 51 CB VAL A 17 -7.540 -0.836 -5.141 1.00 0.00 C ATOM 52 CG1 VAL A 17 -8.020 -2.288 -5.043 1.00 0.00 C ATOM 53 CG2 VAL A 17 -6.015 -0.849 -4.997 1.00 0.00 C ATOM 0 H VAL A 17 -6.570 1.263 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.826 -0.961 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.955 -0.209 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.684 -2.719 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.109 -2.315 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.609 -2.864 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.744 -1.288 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.579 -1.440 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.636 0.172 -5.049 1.00 0.00 H new ATOM 63 N ASN A 18 -9.920 1.094 -5.735 1.00 0.00 N ATOM 64 CA ASN A 18 -11.315 1.497 -5.499 1.00 0.00 C ATOM 65 C ASN A 18 -12.163 0.385 -4.858 1.00 0.00 C ATOM 66 O ASN A 18 -11.824 -0.798 -4.880 1.00 0.00 O ATOM 67 CB ASN A 18 -11.974 2.053 -6.769 1.00 0.00 C ATOM 68 CG ASN A 18 -11.209 3.256 -7.327 1.00 0.00 C ATOM 69 OD1 ASN A 18 -10.700 4.126 -6.620 1.00 0.00 O ATOM 70 ND2 ASN A 18 -10.898 3.180 -8.595 1.00 0.00 N ATOM 0 H ASN A 18 -9.249 1.716 -5.284 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.274 2.307 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.022 1.270 -7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.000 2.346 -6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.234 3.841 -8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.319 2.459 -9.181 1.00 0.00 H new ATOM 77 N ASP A 19 -13.265 0.827 -4.269 1.00 0.00 N ATOM 78 CA ASP A 19 -14.250 -0.040 -3.582 1.00 0.00 C ATOM 79 C ASP A 19 -14.692 -1.276 -4.382 1.00 0.00 C ATOM 80 O ASP A 19 -14.829 -2.364 -3.821 1.00 0.00 O ATOM 81 CB ASP A 19 -15.484 0.790 -3.200 1.00 0.00 C ATOM 82 CG ASP A 19 -15.183 1.866 -2.147 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.563 1.653 -0.979 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.548 2.878 -2.518 1.00 0.00 O ATOM 0 H ASP A 19 -13.517 1.815 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.739 -0.426 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.885 1.267 -4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.259 0.124 -2.820 1.00 0.00 H new ATOM 90 N SER A 20 -14.767 -1.070 -5.691 1.00 0.00 N ATOM 91 CA SER A 20 -15.153 -2.077 -6.706 1.00 0.00 C ATOM 92 C SER A 20 -14.235 -3.305 -6.740 1.00 0.00 C ATOM 93 O SER A 20 -14.671 -4.435 -6.553 1.00 0.00 O ATOM 94 CB SER A 20 -15.167 -1.383 -8.073 1.00 0.00 C ATOM 95 OG SER A 20 -13.953 -0.638 -8.278 1.00 0.00 O ATOM 0 H SER A 20 -14.554 -0.162 -6.105 1.00 0.00 H new ATOM 0 HA SER A 20 -16.138 -2.462 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.281 -2.126 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.025 -0.714 -8.138 1.00 0.00 H new ATOM 0 HG SER A 20 -13.980 -0.204 -9.156 1.00 0.00 H new ATOM 101 N SER A 21 -12.940 -3.061 -6.948 1.00 0.00 N ATOM 102 CA SER A 21 -11.928 -4.120 -6.983 1.00 0.00 C ATOM 103 C SER A 21 -11.518 -4.683 -5.619 1.00 0.00 C ATOM 104 O SER A 21 -11.200 -5.858 -5.512 1.00 0.00 O ATOM 105 CB SER A 21 -10.691 -3.569 -7.636 1.00 0.00 C ATOM 106 OG SER A 21 -10.996 -3.386 -9.031 1.00 0.00 O ATOM 0 H SER A 21 -12.563 -2.125 -7.097 1.00 0.00 H new ATOM 0 HA SER A 21 -12.385 -4.944 -7.531 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.402 -2.623 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.852 -4.254 -7.511 1.00 0.00 H new ATOM 0 HG SER A 21 -10.211 -3.025 -9.493 1.00 0.00 H new ATOM 112 N TRP A 22 -11.722 -3.876 -4.594 1.00 0.00 N ATOM 113 CA TRP A 22 -11.221 -4.146 -3.238 1.00 0.00 C ATOM 114 C TRP A 22 -11.468 -5.561 -2.720 1.00 0.00 C ATOM 115 O TRP A 22 -10.544 -6.366 -2.597 1.00 0.00 O ATOM 116 CB TRP A 22 -11.843 -3.087 -2.326 1.00 0.00 C ATOM 117 CG TRP A 22 -11.107 -3.080 -0.994 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.446 -3.766 0.089 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.885 -2.480 -0.741 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.500 -3.647 1.017 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.523 -2.884 0.551 1.00 0.00 C ATOM 122 CE3 TRP A 22 -9.015 -1.697 -1.540 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.255 -2.530 1.069 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.736 -1.406 -1.055 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.374 -1.799 0.260 1.00 0.00 C ATOM 0 H TRP A 22 -12.244 -3.003 -4.669 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.133 -4.085 -3.254 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.781 -2.105 -2.794 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.901 -3.300 -2.170 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.356 -4.337 0.201 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.524 -4.076 1.942 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.334 -1.332 -2.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.971 -2.818 2.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.026 -0.884 -1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.401 -1.530 0.645 1.00 0.00 H new ATOM 136 N LYS A 23 -12.736 -5.914 -2.591 1.00 0.00 N ATOM 137 CA LYS A 23 -13.142 -7.207 -1.984 1.00 0.00 C ATOM 138 C LYS A 23 -12.726 -8.461 -2.754 1.00 0.00 C ATOM 139 O LYS A 23 -12.211 -9.407 -2.168 1.00 0.00 O ATOM 140 CB LYS A 23 -14.638 -7.177 -1.646 1.00 0.00 C ATOM 141 CG LYS A 23 -14.819 -6.081 -0.596 1.00 0.00 C ATOM 142 CD LYS A 23 -16.274 -5.878 -0.199 1.00 0.00 C ATOM 143 CE LYS A 23 -16.315 -4.723 0.797 1.00 0.00 C ATOM 144 NZ LYS A 23 -17.702 -4.458 1.201 1.00 0.00 N ATOM 0 H LYS A 23 -13.517 -5.333 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.569 -7.301 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.233 -6.966 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.969 -8.142 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.237 -6.334 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.419 -5.144 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.883 -5.653 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.681 -6.785 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.712 -4.965 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.881 -3.829 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.721 -3.670 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.266 -4.208 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.102 -5.308 1.646 1.00 0.00 H new ATOM 158 N GLU A 24 -12.627 -8.288 -4.070 1.00 0.00 N ATOM 159 CA GLU A 24 -12.232 -9.350 -5.010 1.00 0.00 C ATOM 160 C GLU A 24 -10.730 -9.388 -5.350 1.00 0.00 C ATOM 161 O GLU A 24 -10.250 -10.449 -5.749 1.00 0.00 O ATOM 162 CB GLU A 24 -13.099 -9.285 -6.279 1.00 0.00 C ATOM 163 CG GLU A 24 -13.092 -7.917 -6.962 1.00 0.00 C ATOM 164 CD GLU A 24 -13.980 -7.895 -8.204 1.00 0.00 C ATOM 165 OE1 GLU A 24 -15.018 -7.194 -8.155 1.00 0.00 O ATOM 166 OE2 GLU A 24 -13.597 -8.562 -9.189 1.00 0.00 O ATOM 0 H GLU A 24 -12.820 -7.396 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.414 -10.291 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.747 -10.036 -6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.125 -9.546 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.434 -7.158 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.071 -7.656 -7.241 1.00 0.00 H new ATOM 174 N PHE A 25 -10.029 -8.254 -5.269 1.00 0.00 N ATOM 175 CA PHE A 25 -8.571 -8.184 -5.528 1.00 0.00 C ATOM 176 C PHE A 25 -7.663 -8.126 -4.303 1.00 0.00 C ATOM 177 O PHE A 25 -6.681 -8.844 -4.236 1.00 0.00 O ATOM 178 CB PHE A 25 -8.192 -7.015 -6.433 1.00 0.00 C ATOM 179 CG PHE A 25 -8.591 -7.205 -7.904 1.00 0.00 C ATOM 180 CD1 PHE A 25 -7.904 -8.089 -8.738 1.00 0.00 C ATOM 181 CD2 PHE A 25 -9.543 -6.346 -8.475 1.00 0.00 C ATOM 182 CE1 PHE A 25 -8.168 -8.152 -10.124 1.00 0.00 C ATOM 183 CE2 PHE A 25 -9.809 -6.347 -9.864 1.00 0.00 C ATOM 184 CZ PHE A 25 -9.114 -7.265 -10.673 1.00 0.00 C ATOM 0 H PHE A 25 -10.446 -7.356 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.393 -9.143 -6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.664 -6.108 -6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.114 -6.861 -6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.154 -8.740 -8.314 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.087 -5.666 -7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.655 -8.866 -10.750 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.526 -5.662 -10.292 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.310 -7.290 -11.735 1.00 0.00 H new ATOM 194 N VAL A 26 -8.081 -7.388 -3.297 1.00 0.00 N ATOM 195 CA VAL A 26 -7.297 -7.211 -2.057 1.00 0.00 C ATOM 196 C VAL A 26 -7.752 -8.252 -1.025 1.00 0.00 C ATOM 197 O VAL A 26 -6.921 -8.897 -0.375 1.00 0.00 O ATOM 198 CB VAL A 26 -7.405 -5.783 -1.480 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.488 -5.607 -0.255 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.979 -4.739 -2.517 1.00 0.00 C ATOM 0 H VAL A 26 -8.970 -6.888 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.245 -7.360 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.448 -5.640 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.585 -4.592 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.776 -6.318 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.453 -5.787 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.064 -3.742 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.945 -4.920 -2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.624 -4.812 -3.393 1.00 0.00 H new ATOM 210 N LEU A 27 -9.066 -8.424 -0.911 1.00 0.00 N ATOM 211 CA LEU A 27 -9.603 -9.415 0.038 1.00 0.00 C ATOM 212 C LEU A 27 -9.665 -10.828 -0.571 1.00 0.00 C ATOM 213 O LEU A 27 -10.040 -11.782 0.114 1.00 0.00 O ATOM 214 CB LEU A 27 -10.940 -8.976 0.663 1.00 0.00 C ATOM 215 CG LEU A 27 -10.978 -7.525 1.166 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.306 -7.275 1.871 1.00 0.00 C ATOM 217 CD2 LEU A 27 -9.840 -7.154 2.120 1.00 0.00 C ATOM 0 H LEU A 27 -9.768 -7.910 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.894 -9.467 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.730 -9.109 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.169 -9.640 1.497 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.858 -6.898 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.339 -6.247 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.126 -7.442 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.404 -7.958 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.945 -6.113 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.880 -7.795 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.883 -7.289 1.615 1.00 0.00 H new ATOM 229 N GLU A 28 -9.219 -10.944 -1.821 1.00 0.00 N ATOM 230 CA GLU A 28 -9.039 -12.233 -2.493 1.00 0.00 C ATOM 231 C GLU A 28 -7.821 -12.113 -3.429 1.00 0.00 C ATOM 232 O GLU A 28 -7.926 -11.590 -4.538 1.00 0.00 O ATOM 233 CB GLU A 28 -10.317 -12.591 -3.259 1.00 0.00 C ATOM 234 CG GLU A 28 -10.249 -14.000 -3.826 1.00 0.00 C ATOM 235 CD GLU A 28 -10.744 -14.002 -5.272 1.00 0.00 C ATOM 236 OE1 GLU A 28 -9.924 -14.294 -6.167 1.00 0.00 O ATOM 237 OE2 GLU A 28 -11.964 -13.760 -5.448 1.00 0.00 O ATOM 0 H GLU A 28 -8.971 -10.142 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.855 -13.033 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.177 -12.506 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.469 -11.878 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.225 -14.370 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.857 -14.674 -3.223 1.00 0.00 H new ATOM 245 N SER A 29 -6.658 -12.439 -2.885 1.00 0.00 N ATOM 246 CA SER A 29 -5.400 -12.334 -3.647 1.00 0.00 C ATOM 247 C SER A 29 -4.376 -13.449 -3.332 1.00 0.00 C ATOM 248 O SER A 29 -4.733 -14.576 -2.986 1.00 0.00 O ATOM 249 CB SER A 29 -4.846 -10.916 -3.517 1.00 0.00 C ATOM 250 OG SER A 29 -3.831 -10.642 -4.486 1.00 0.00 O ATOM 0 H SER A 29 -6.548 -12.776 -1.929 1.00 0.00 H new ATOM 0 HA SER A 29 -5.624 -12.511 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.658 -10.198 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.437 -10.778 -2.516 1.00 0.00 H new ATOM 0 HG SER A 29 -3.834 -9.686 -4.701 1.00 0.00 H new ATOM 256 N GLU A 30 -3.102 -13.065 -3.366 1.00 0.00 N ATOM 257 CA GLU A 30 -1.888 -13.857 -3.119 1.00 0.00 C ATOM 258 C GLU A 30 -1.787 -14.465 -1.717 1.00 0.00 C ATOM 259 O GLU A 30 -0.924 -15.304 -1.466 1.00 0.00 O ATOM 260 CB GLU A 30 -0.666 -12.956 -3.314 1.00 0.00 C ATOM 261 CG GLU A 30 0.042 -13.284 -4.624 1.00 0.00 C ATOM 262 CD GLU A 30 1.365 -12.518 -4.735 1.00 0.00 C ATOM 263 OE1 GLU A 30 1.340 -11.463 -5.395 1.00 0.00 O ATOM 264 OE2 GLU A 30 2.381 -13.035 -4.230 1.00 0.00 O ATOM 0 H GLU A 30 -2.865 -12.098 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.932 -14.687 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.975 -11.911 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.024 -13.085 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.231 -14.356 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.603 -13.029 -5.465 1.00 0.00 H new ATOM 272 N VAL A 31 -2.757 -14.090 -0.892 1.00 0.00 N ATOM 273 CA VAL A 31 -2.921 -14.387 0.547 1.00 0.00 C ATOM 274 C VAL A 31 -2.191 -13.360 1.435 1.00 0.00 C ATOM 275 O VAL A 31 -2.911 -12.485 1.901 1.00 0.00 O ATOM 276 CB VAL A 31 -2.940 -15.888 0.896 1.00 0.00 C ATOM 277 CG1 VAL A 31 -3.301 -16.085 2.369 1.00 0.00 C ATOM 278 CG2 VAL A 31 -4.027 -16.586 0.074 1.00 0.00 C ATOM 0 H VAL A 31 -3.527 -13.516 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.949 -14.195 0.854 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.953 -16.300 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.311 -17.150 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.563 -15.583 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.287 -15.662 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.043 -17.648 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.997 -16.146 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.816 -16.462 -0.988 1.00 0.00 H new ATOM 288 N PRO A 32 -0.847 -13.294 1.567 1.00 0.00 N ATOM 289 CA PRO A 32 -0.223 -12.117 2.195 1.00 0.00 C ATOM 290 C PRO A 32 -0.383 -10.970 1.174 1.00 0.00 C ATOM 291 O PRO A 32 0.017 -11.093 0.011 1.00 0.00 O ATOM 292 CB PRO A 32 1.252 -12.464 2.419 1.00 0.00 C ATOM 293 CG PRO A 32 1.306 -13.978 2.251 1.00 0.00 C ATOM 294 CD PRO A 32 0.193 -14.301 1.264 1.00 0.00 C ATOM 0 HA PRO A 32 -0.665 -11.830 3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.894 -11.959 1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.587 -12.161 3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.276 -14.299 1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.151 -14.487 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.537 -14.223 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.181 -15.316 1.400 1.00 0.00 H new ATOM 302 N VAL A 33 -1.268 -10.053 1.518 1.00 0.00 N ATOM 303 CA VAL A 33 -1.637 -8.906 0.666 1.00 0.00 C ATOM 304 C VAL A 33 -1.279 -7.595 1.355 1.00 0.00 C ATOM 305 O VAL A 33 -1.605 -7.357 2.521 1.00 0.00 O ATOM 306 CB VAL A 33 -3.155 -8.967 0.339 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.581 -7.839 -0.595 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.562 -10.294 -0.298 1.00 0.00 C ATOM 0 H VAL A 33 -1.766 -10.072 2.408 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.077 -8.956 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.660 -8.861 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.649 -7.919 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.372 -6.878 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.027 -7.913 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.632 -10.285 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.012 -10.435 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.333 -11.111 0.386 1.00 0.00 H new ATOM 318 N MET A 34 -0.761 -6.718 0.514 1.00 0.00 N ATOM 319 CA MET A 34 -0.273 -5.386 0.877 1.00 0.00 C ATOM 320 C MET A 34 -0.973 -4.290 0.071 1.00 0.00 C ATOM 321 O MET A 34 -1.061 -4.314 -1.161 1.00 0.00 O ATOM 322 CB MET A 34 1.224 -5.381 0.562 1.00 0.00 C ATOM 323 CG MET A 34 1.903 -4.126 1.085 1.00 0.00 C ATOM 324 SD MET A 34 3.729 -4.262 1.074 1.00 0.00 S ATOM 325 CE MET A 34 3.944 -5.661 2.153 1.00 0.00 C ATOM 0 H MET A 34 -0.662 -6.915 -0.482 1.00 0.00 H new ATOM 0 HA MET A 34 -0.474 -5.182 1.929 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.692 -6.260 1.005 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.370 -5.452 -0.516 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.602 -3.273 0.477 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.562 -3.929 2.102 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.352 -5.326 3.107 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.981 -6.143 2.320 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.631 -6.372 1.694 1.00 0.00 H new ATOM 335 N VAL A 35 -1.379 -3.276 0.817 1.00 0.00 N ATOM 336 CA VAL A 35 -1.977 -2.076 0.211 1.00 0.00 C ATOM 337 C VAL A 35 -1.411 -0.774 0.794 1.00 0.00 C ATOM 338 O VAL A 35 -1.328 -0.601 2.007 1.00 0.00 O ATOM 339 CB VAL A 35 -3.511 -2.167 0.274 1.00 0.00 C ATOM 340 CG1 VAL A 35 -4.050 -2.065 1.699 1.00 0.00 C ATOM 341 CG2 VAL A 35 -4.128 -1.077 -0.587 1.00 0.00 C ATOM 0 H VAL A 35 -1.311 -3.250 1.834 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.696 -2.043 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.789 -3.150 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.138 -2.135 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.643 -2.877 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.755 -1.109 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.215 -1.146 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.810 -0.101 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.802 -1.201 -1.620 1.00 0.00 H new ATOM 351 N ASP A 36 -1.113 0.136 -0.116 1.00 0.00 N ATOM 352 CA ASP A 36 -0.649 1.489 0.228 1.00 0.00 C ATOM 353 C ASP A 36 -1.702 2.548 -0.117 1.00 0.00 C ATOM 354 O ASP A 36 -2.257 2.587 -1.216 1.00 0.00 O ATOM 355 CB ASP A 36 0.699 1.843 -0.388 1.00 0.00 C ATOM 356 CG ASP A 36 0.717 1.943 -1.923 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.585 3.075 -2.415 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.929 0.885 -2.547 1.00 0.00 O ATOM 0 H ASP A 36 -1.183 -0.032 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.502 1.485 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.029 2.796 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.428 1.093 -0.081 1.00 0.00 H new ATOM 364 N PHE A 37 -1.893 3.419 0.861 1.00 0.00 N ATOM 365 CA PHE A 37 -2.846 4.536 0.769 1.00 0.00 C ATOM 366 C PHE A 37 -2.104 5.863 0.725 1.00 0.00 C ATOM 367 O PHE A 37 -1.159 6.087 1.496 1.00 0.00 O ATOM 368 CB PHE A 37 -3.767 4.604 1.989 1.00 0.00 C ATOM 369 CG PHE A 37 -4.825 3.503 2.047 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.476 2.209 2.522 1.00 0.00 C ATOM 371 CD2 PHE A 37 -6.133 3.786 1.595 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.454 1.189 2.495 1.00 0.00 C ATOM 373 CE2 PHE A 37 -7.098 2.773 1.597 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.752 1.470 2.021 1.00 0.00 C ATOM 0 H PHE A 37 -1.393 3.379 1.749 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.428 4.364 -0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.158 4.553 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.268 5.572 1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.483 2.009 2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.386 4.778 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.207 0.195 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.106 2.987 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.489 0.682 1.982 1.00 0.00 H new ATOM 384 N TRP A 38 -2.596 6.723 -0.153 1.00 0.00 N ATOM 385 CA TRP A 38 -2.069 8.101 -0.279 1.00 0.00 C ATOM 386 C TRP A 38 -3.203 9.104 -0.553 1.00 0.00 C ATOM 387 O TRP A 38 -4.218 8.775 -1.177 1.00 0.00 O ATOM 388 CB TRP A 38 -0.979 8.129 -1.355 1.00 0.00 C ATOM 389 CG TRP A 38 -1.536 8.141 -2.782 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.269 7.173 -3.311 1.00 0.00 C ATOM 391 CD2 TRP A 38 -1.727 9.274 -3.553 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.897 7.606 -4.399 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.631 8.907 -4.557 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.321 10.618 -3.398 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.187 9.879 -5.409 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -1.871 11.582 -4.250 1.00 0.00 C ATOM 397 CH2 TRP A 38 -2.787 11.219 -5.260 1.00 0.00 C ATOM 0 H TRP A 38 -3.359 6.505 -0.795 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.617 8.410 0.664 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.356 9.011 -1.208 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.334 7.259 -1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.346 6.172 -2.914 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.484 7.040 -5.012 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.603 10.895 -2.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.908 9.601 -6.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.591 12.618 -4.133 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.183 11.974 -5.922 1.00 0.00 H new ATOM 408 N ALA A 39 -2.870 10.358 -0.299 1.00 0.00 N ATOM 409 CA ALA A 39 -3.831 11.464 -0.349 1.00 0.00 C ATOM 410 C ALA A 39 -3.197 12.651 -1.070 1.00 0.00 C ATOM 411 O ALA A 39 -2.068 13.022 -0.727 1.00 0.00 O ATOM 412 CB ALA A 39 -4.227 11.872 1.074 1.00 0.00 C ATOM 0 H ALA A 39 -1.924 10.646 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.724 11.146 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.941 12.694 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.682 11.022 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.340 12.190 1.621 1.00 0.00 H new ATOM 418 N PRO A 40 -3.886 13.229 -2.067 1.00 0.00 N ATOM 419 CA PRO A 40 -3.398 14.397 -2.809 1.00 0.00 C ATOM 420 C PRO A 40 -3.050 15.619 -1.948 1.00 0.00 C ATOM 421 O PRO A 40 -2.038 16.268 -2.182 1.00 0.00 O ATOM 422 CB PRO A 40 -4.455 14.674 -3.881 1.00 0.00 C ATOM 423 CG PRO A 40 -5.692 13.918 -3.405 1.00 0.00 C ATOM 424 CD PRO A 40 -5.148 12.711 -2.646 1.00 0.00 C ATOM 0 HA PRO A 40 -2.428 14.176 -3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.654 15.741 -3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.128 14.323 -4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.313 14.542 -2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.313 13.609 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.839 12.374 -1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.971 11.863 -3.308 1.00 0.00 H new ATOM 432 N TRP A 41 -3.840 15.826 -0.889 1.00 0.00 N ATOM 433 CA TRP A 41 -3.588 16.885 0.116 1.00 0.00 C ATOM 434 C TRP A 41 -2.318 16.718 0.955 1.00 0.00 C ATOM 435 O TRP A 41 -1.665 17.697 1.305 1.00 0.00 O ATOM 436 CB TRP A 41 -4.849 17.094 0.956 1.00 0.00 C ATOM 437 CG TRP A 41 -5.582 15.798 1.335 1.00 0.00 C ATOM 438 CD1 TRP A 41 -6.771 15.434 0.868 1.00 0.00 C ATOM 439 CD2 TRP A 41 -5.326 15.023 2.461 1.00 0.00 C ATOM 440 NE1 TRP A 41 -7.319 14.514 1.659 1.00 0.00 N ATOM 441 CE2 TRP A 41 -6.482 14.246 2.660 1.00 0.00 C ATOM 442 CE3 TRP A 41 -4.217 14.920 3.321 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -6.572 13.379 3.766 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -4.297 14.039 4.410 1.00 0.00 C ATOM 445 CH2 TRP A 41 -5.473 13.292 4.656 1.00 0.00 C ATOM 0 H TRP A 41 -4.673 15.269 -0.697 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.369 17.797 -0.440 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.579 17.624 1.869 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.535 17.737 0.405 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.229 15.829 -0.027 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.233 14.083 1.521 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.326 15.505 3.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.462 12.791 3.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.449 13.930 5.070 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.533 12.653 5.525 1.00 0.00 H new ATOM 456 N CYS A 42 -1.868 15.472 1.099 1.00 0.00 N ATOM 457 CA CYS A 42 -0.587 15.098 1.739 1.00 0.00 C ATOM 458 C CYS A 42 0.610 15.292 0.781 1.00 0.00 C ATOM 459 O CYS A 42 1.706 14.779 0.997 1.00 0.00 O ATOM 460 CB CYS A 42 -0.770 13.630 2.157 1.00 0.00 C ATOM 461 SG CYS A 42 0.693 12.676 2.704 1.00 0.00 S ATOM 0 H CYS A 42 -2.394 14.663 0.767 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.356 15.731 2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.500 13.607 2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.212 13.100 1.313 1.00 0.00 H new ATOM 466 N GLY A 43 0.417 16.127 -0.245 1.00 0.00 N ATOM 467 CA GLY A 43 1.361 16.376 -1.354 1.00 0.00 C ATOM 468 C GLY A 43 2.002 15.073 -1.864 1.00 0.00 C ATOM 469 O GLY A 43 1.276 14.191 -2.346 1.00 0.00 O ATOM 0 H GLY A 43 -0.438 16.675 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.837 16.868 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.142 17.059 -1.020 1.00 0.00 H new ATOM 473 N PRO A 44 3.306 14.873 -1.627 1.00 0.00 N ATOM 474 CA PRO A 44 4.026 13.656 -2.052 1.00 0.00 C ATOM 475 C PRO A 44 3.778 12.391 -1.211 1.00 0.00 C ATOM 476 O PRO A 44 4.637 11.518 -1.125 1.00 0.00 O ATOM 477 CB PRO A 44 5.501 14.075 -2.082 1.00 0.00 C ATOM 478 CG PRO A 44 5.591 15.127 -0.974 1.00 0.00 C ATOM 479 CD PRO A 44 4.270 15.876 -1.103 1.00 0.00 C ATOM 0 HA PRO A 44 3.653 13.328 -3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.163 13.231 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.783 14.487 -3.051 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.701 14.669 0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.446 15.789 -1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.945 16.270 -0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.363 16.725 -1.780 1.00 0.00 H new ATOM 487 N CYS A 45 2.536 12.174 -0.791 1.00 0.00 N ATOM 488 CA CYS A 45 2.118 10.948 -0.079 1.00 0.00 C ATOM 489 C CYS A 45 2.424 9.652 -0.859 1.00 0.00 C ATOM 490 O CYS A 45 2.847 8.652 -0.292 1.00 0.00 O ATOM 491 CB CYS A 45 0.607 10.961 0.195 1.00 0.00 C ATOM 492 SG CYS A 45 0.193 10.841 1.974 1.00 0.00 S ATOM 0 H CYS A 45 1.778 12.842 -0.931 1.00 0.00 H new ATOM 0 HA CYS A 45 2.694 10.950 0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.179 11.878 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.141 10.131 -0.336 1.00 0.00 H new ATOM 497 N LYS A 46 2.384 9.822 -2.181 1.00 0.00 N ATOM 498 CA LYS A 46 2.622 8.804 -3.222 1.00 0.00 C ATOM 499 C LYS A 46 3.928 7.981 -3.082 1.00 0.00 C ATOM 500 O LYS A 46 4.021 6.872 -3.602 1.00 0.00 O ATOM 501 CB LYS A 46 2.579 9.537 -4.569 1.00 0.00 C ATOM 502 CG LYS A 46 2.295 8.614 -5.763 1.00 0.00 C ATOM 503 CD LYS A 46 0.932 7.938 -5.608 1.00 0.00 C ATOM 504 CE LYS A 46 0.668 6.989 -6.776 1.00 0.00 C ATOM 505 NZ LYS A 46 -0.303 5.992 -6.290 1.00 0.00 N ATOM 0 H LYS A 46 2.171 10.733 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 46 1.845 8.046 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.812 10.310 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.532 10.041 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.318 9.190 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.076 7.857 -5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.898 7.386 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.148 8.694 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.272 7.531 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.590 6.507 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.975 5.763 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.200 5.129 -6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.820 6.380 -5.475 1.00 0.00 H new ATOM 519 N LEU A 47 4.889 8.505 -2.313 1.00 0.00 N ATOM 520 CA LEU A 47 6.165 7.835 -1.970 1.00 0.00 C ATOM 521 C LEU A 47 6.045 6.353 -1.571 1.00 0.00 C ATOM 522 O LEU A 47 6.916 5.550 -1.921 1.00 0.00 O ATOM 523 CB LEU A 47 6.842 8.594 -0.834 1.00 0.00 C ATOM 524 CG LEU A 47 7.395 9.942 -1.298 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.704 10.819 -0.088 1.00 0.00 C ATOM 526 CD2 LEU A 47 8.621 9.777 -2.203 1.00 0.00 C ATOM 0 H LEU A 47 4.806 9.432 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 47 6.753 7.850 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.127 8.754 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.653 7.990 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 47 6.632 10.435 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.098 11.778 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.792 10.982 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.444 10.324 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.982 10.759 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.408 9.255 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.347 9.199 -3.086 1.00 0.00 H new ATOM 538 N ILE A 48 4.987 6.013 -0.845 1.00 0.00 N ATOM 539 CA ILE A 48 4.697 4.618 -0.457 1.00 0.00 C ATOM 540 C ILE A 48 4.580 3.614 -1.610 1.00 0.00 C ATOM 541 O ILE A 48 5.071 2.489 -1.482 1.00 0.00 O ATOM 542 CB ILE A 48 3.492 4.457 0.489 1.00 0.00 C ATOM 543 CG1 ILE A 48 2.377 5.509 0.360 1.00 0.00 C ATOM 544 CG2 ILE A 48 3.995 4.354 1.927 1.00 0.00 C ATOM 545 CD1 ILE A 48 1.678 5.570 -0.998 1.00 0.00 C ATOM 0 H ILE A 48 4.301 6.687 -0.504 1.00 0.00 H new ATOM 0 HA ILE A 48 5.604 4.364 0.092 1.00 0.00 H new ATOM 0 HB ILE A 48 2.998 3.537 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.627 5.312 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.801 6.490 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.147 4.240 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.653 3.490 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.545 5.259 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.911 6.344 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.408 5.802 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.215 4.607 -1.213 1.00 0.00 H new ATOM 557 N ALA A 49 4.076 4.046 -2.764 1.00 0.00 N ATOM 558 CA ALA A 49 3.864 3.146 -3.918 1.00 0.00 C ATOM 559 C ALA A 49 5.118 2.439 -4.485 1.00 0.00 C ATOM 560 O ALA A 49 5.148 1.211 -4.469 1.00 0.00 O ATOM 561 CB ALA A 49 2.927 3.772 -4.967 1.00 0.00 C ATOM 0 H ALA A 49 3.803 5.014 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 49 3.333 2.287 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.797 3.079 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.958 3.979 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.361 4.702 -5.334 1.00 0.00 H new ATOM 567 N PRO A 50 6.212 3.167 -4.761 1.00 0.00 N ATOM 568 CA PRO A 50 7.510 2.584 -5.145 1.00 0.00 C ATOM 569 C PRO A 50 8.044 1.610 -4.086 1.00 0.00 C ATOM 570 O PRO A 50 8.360 0.487 -4.451 1.00 0.00 O ATOM 571 CB PRO A 50 8.444 3.779 -5.303 1.00 0.00 C ATOM 572 CG PRO A 50 7.508 4.890 -5.780 1.00 0.00 C ATOM 573 CD PRO A 50 6.221 4.612 -5.000 1.00 0.00 C ATOM 0 HA PRO A 50 7.424 1.996 -6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.930 4.038 -4.362 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.235 3.580 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.909 5.879 -5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.345 4.846 -6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.204 5.165 -4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.343 4.921 -5.568 1.00 0.00 H new ATOM 581 N VAL A 51 7.981 1.981 -2.808 1.00 0.00 N ATOM 582 CA VAL A 51 8.384 1.090 -1.693 1.00 0.00 C ATOM 583 C VAL A 51 7.586 -0.221 -1.708 1.00 0.00 C ATOM 584 O VAL A 51 8.176 -1.292 -1.752 1.00 0.00 O ATOM 585 CB VAL A 51 8.304 1.853 -0.352 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.574 0.954 0.857 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.313 3.010 -0.339 1.00 0.00 C ATOM 0 H VAL A 51 7.653 2.898 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 51 9.425 0.793 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 51 7.284 2.230 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.505 1.543 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.837 0.152 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.573 0.526 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.247 3.540 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.321 2.615 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.088 3.698 -1.154 1.00 0.00 H new ATOM 597 N ILE A 52 6.266 -0.127 -1.788 1.00 0.00 N ATOM 598 CA ILE A 52 5.372 -1.299 -1.909 1.00 0.00 C ATOM 599 C ILE A 52 5.703 -2.150 -3.151 1.00 0.00 C ATOM 600 O ILE A 52 5.970 -3.340 -3.019 1.00 0.00 O ATOM 601 CB ILE A 52 3.923 -0.731 -1.829 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.413 -0.609 -0.382 1.00 0.00 C ATOM 603 CG2 ILE A 52 2.877 -1.473 -2.649 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.295 0.250 0.535 1.00 0.00 C ATOM 0 H ILE A 52 5.770 0.764 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 52 5.504 -2.022 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 52 4.036 0.256 -2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.409 -0.186 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.331 -1.608 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.907 -0.994 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.156 -1.449 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.818 -2.508 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.860 0.280 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.294 -0.182 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.358 1.262 0.136 1.00 0.00 H new ATOM 616 N ASP A 53 6.000 -1.468 -4.253 1.00 0.00 N ATOM 617 CA ASP A 53 6.401 -2.140 -5.509 1.00 0.00 C ATOM 618 C ASP A 53 7.759 -2.856 -5.430 1.00 0.00 C ATOM 619 O ASP A 53 8.027 -3.813 -6.143 1.00 0.00 O ATOM 620 CB ASP A 53 6.386 -1.156 -6.686 1.00 0.00 C ATOM 621 CG ASP A 53 4.961 -0.701 -6.998 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.791 0.523 -7.233 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.072 -1.580 -7.021 1.00 0.00 O ATOM 0 H ASP A 53 5.974 -0.450 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 53 5.656 -2.918 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.005 -0.290 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.822 -1.629 -7.566 1.00 0.00 H new ATOM 629 N GLU A 54 8.594 -2.326 -4.553 1.00 0.00 N ATOM 630 CA GLU A 54 9.908 -2.881 -4.191 1.00 0.00 C ATOM 631 C GLU A 54 9.787 -4.089 -3.248 1.00 0.00 C ATOM 632 O GLU A 54 10.391 -5.124 -3.511 1.00 0.00 O ATOM 633 CB GLU A 54 10.755 -1.836 -3.486 1.00 0.00 C ATOM 634 CG GLU A 54 11.284 -0.752 -4.421 1.00 0.00 C ATOM 635 CD GLU A 54 11.914 0.397 -3.625 1.00 0.00 C ATOM 636 OE1 GLU A 54 13.043 0.189 -3.128 1.00 0.00 O ATOM 637 OE2 GLU A 54 11.264 1.455 -3.534 1.00 0.00 O ATOM 0 H GLU A 54 8.377 -1.466 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 54 10.373 -3.195 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.162 -1.369 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.597 -2.329 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.024 -1.179 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.471 -0.369 -5.038 1.00 0.00 H new ATOM 645 N LEU A 55 8.921 -3.982 -2.241 1.00 0.00 N ATOM 646 CA LEU A 55 8.645 -5.101 -1.325 1.00 0.00 C ATOM 647 C LEU A 55 8.144 -6.363 -2.059 1.00 0.00 C ATOM 648 O LEU A 55 8.599 -7.459 -1.756 1.00 0.00 O ATOM 649 CB LEU A 55 7.670 -4.701 -0.193 1.00 0.00 C ATOM 650 CG LEU A 55 8.117 -3.460 0.585 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.024 -3.070 1.583 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.461 -3.585 1.308 1.00 0.00 C ATOM 0 H LEU A 55 8.395 -3.133 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 55 9.603 -5.352 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.684 -4.517 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.566 -5.537 0.499 1.00 0.00 H new ATOM 0 HG LEU A 55 8.273 -2.685 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.338 -2.187 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.101 -2.851 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.853 -3.894 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.683 -2.653 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.411 -4.399 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.247 -3.792 0.582 1.00 0.00 H new ATOM 664 N ALA A 56 7.534 -6.108 -3.210 1.00 0.00 N ATOM 665 CA ALA A 56 7.044 -7.152 -4.143 1.00 0.00 C ATOM 666 C ALA A 56 8.160 -8.097 -4.603 1.00 0.00 C ATOM 667 O ALA A 56 8.136 -9.295 -4.326 1.00 0.00 O ATOM 668 CB ALA A 56 6.403 -6.464 -5.356 1.00 0.00 C ATOM 0 H ALA A 56 7.356 -5.159 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 56 6.312 -7.764 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.038 -7.219 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.571 -5.843 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.145 -5.840 -5.855 1.00 0.00 H new ATOM 674 N LYS A 57 9.231 -7.510 -5.115 1.00 0.00 N ATOM 675 CA LYS A 57 10.413 -8.270 -5.575 1.00 0.00 C ATOM 676 C LYS A 57 11.411 -8.610 -4.446 1.00 0.00 C ATOM 677 O LYS A 57 12.090 -9.635 -4.522 1.00 0.00 O ATOM 678 CB LYS A 57 11.128 -7.584 -6.746 1.00 0.00 C ATOM 679 CG LYS A 57 11.361 -6.110 -6.450 1.00 0.00 C ATOM 680 CD LYS A 57 12.486 -5.543 -7.300 1.00 0.00 C ATOM 681 CE LYS A 57 12.616 -4.083 -6.892 1.00 0.00 C ATOM 682 NZ LYS A 57 13.725 -3.479 -7.633 1.00 0.00 N ATOM 0 H LYS A 57 9.318 -6.500 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 57 10.013 -9.219 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.082 -8.077 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.532 -7.687 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.444 -5.551 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.602 -5.983 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.417 -6.082 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.258 -5.634 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.689 -3.550 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.793 -4.006 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.821 -2.480 -7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.606 -3.985 -7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.536 -3.542 -8.654 1.00 0.00 H new ATOM 696 N GLU A 58 11.322 -7.863 -3.347 1.00 0.00 N ATOM 697 CA GLU A 58 12.159 -8.042 -2.148 1.00 0.00 C ATOM 698 C GLU A 58 12.016 -9.442 -1.529 1.00 0.00 C ATOM 699 O GLU A 58 13.026 -10.037 -1.150 1.00 0.00 O ATOM 700 CB GLU A 58 11.816 -6.977 -1.111 1.00 0.00 C ATOM 701 CG GLU A 58 12.972 -5.993 -0.935 1.00 0.00 C ATOM 702 CD GLU A 58 12.546 -4.749 -0.151 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.169 -3.765 -0.821 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.591 -4.808 1.107 1.00 0.00 O ATOM 0 H GLU A 58 10.653 -7.098 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 58 13.197 -7.935 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.919 -6.439 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.590 -7.453 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.793 -6.486 -0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.348 -5.695 -1.914 1.00 0.00 H new ATOM 712 N TYR A 59 10.794 -9.953 -1.457 1.00 0.00 N ATOM 713 CA TYR A 59 10.585 -11.336 -0.975 1.00 0.00 C ATOM 714 C TYR A 59 10.052 -12.266 -2.089 1.00 0.00 C ATOM 715 O TYR A 59 9.384 -13.272 -1.865 1.00 0.00 O ATOM 716 CB TYR A 59 9.673 -11.388 0.259 1.00 0.00 C ATOM 717 CG TYR A 59 9.595 -10.161 1.147 1.00 0.00 C ATOM 718 CD1 TYR A 59 10.706 -9.816 1.938 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.522 -9.288 0.876 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.781 -8.506 2.432 1.00 0.00 C ATOM 721 CE2 TYR A 59 8.613 -7.976 1.355 1.00 0.00 C ATOM 722 CZ TYR A 59 9.751 -7.608 2.109 1.00 0.00 C ATOM 723 OH TYR A 59 9.895 -6.300 2.414 1.00 0.00 O ATOM 0 H TYR A 59 9.943 -9.455 -1.717 1.00 0.00 H new ATOM 0 HA TYR A 59 11.566 -11.704 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.663 -11.616 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.997 -12.226 0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.478 -10.539 2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.659 -9.620 0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.612 -8.195 3.047 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.830 -7.260 1.153 1.00 0.00 H new ATOM 0 HH TYR A 59 10.635 -5.922 1.894 1.00 0.00 H new ATOM 733 N SER A 60 10.520 -11.946 -3.290 1.00 0.00 N ATOM 734 CA SER A 60 10.160 -12.590 -4.581 1.00 0.00 C ATOM 735 C SER A 60 8.713 -13.075 -4.671 1.00 0.00 C ATOM 736 O SER A 60 8.386 -14.245 -4.415 1.00 0.00 O ATOM 737 CB SER A 60 11.154 -13.713 -4.939 1.00 0.00 C ATOM 738 OG SER A 60 11.172 -14.692 -3.898 1.00 0.00 O ATOM 0 H SER A 60 11.197 -11.193 -3.413 1.00 0.00 H new ATOM 0 HA SER A 60 10.237 -11.799 -5.327 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.868 -14.177 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.152 -13.298 -5.078 1.00 0.00 H new ATOM 0 HG SER A 60 10.252 -14.930 -3.657 1.00 0.00 H new ATOM 744 N GLY A 61 7.827 -12.095 -4.777 1.00 0.00 N ATOM 745 CA GLY A 61 6.379 -12.327 -4.899 1.00 0.00 C ATOM 746 C GLY A 61 5.715 -11.917 -3.587 1.00 0.00 C ATOM 747 O GLY A 61 5.568 -10.716 -3.356 1.00 0.00 O ATOM 0 H GLY A 61 8.085 -11.108 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.971 -11.749 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.180 -13.377 -5.114 1.00 0.00 H new ATOM 751 N LYS A 62 5.755 -12.868 -2.651 1.00 0.00 N ATOM 752 CA LYS A 62 5.151 -12.870 -1.285 1.00 0.00 C ATOM 753 C LYS A 62 3.822 -12.153 -1.075 1.00 0.00 C ATOM 754 O LYS A 62 2.804 -12.744 -0.737 1.00 0.00 O ATOM 755 CB LYS A 62 6.152 -12.359 -0.257 1.00 0.00 C ATOM 756 CG LYS A 62 7.033 -13.491 0.265 1.00 0.00 C ATOM 757 CD LYS A 62 6.368 -14.488 1.200 1.00 0.00 C ATOM 758 CE LYS A 62 7.514 -15.105 2.002 1.00 0.00 C ATOM 759 NZ LYS A 62 7.069 -16.247 2.793 1.00 0.00 N ATOM 0 H LYS A 62 6.251 -13.741 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 62 4.903 -13.923 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.776 -11.586 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.620 -11.896 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.430 -14.037 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.884 -13.050 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.649 -13.996 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.823 -15.249 0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.305 -15.420 1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.943 -14.351 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.874 -16.638 3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.332 -15.941 3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.683 -16.977 2.161 1.00 0.00 H new ATOM 773 N ILE A 63 3.902 -10.864 -1.350 1.00 0.00 N ATOM 774 CA ILE A 63 2.854 -9.871 -1.075 1.00 0.00 C ATOM 775 C ILE A 63 2.309 -9.160 -2.314 1.00 0.00 C ATOM 776 O ILE A 63 3.032 -8.619 -3.141 1.00 0.00 O ATOM 777 CB ILE A 63 3.322 -8.902 0.032 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.723 -8.327 -0.204 1.00 0.00 C ATOM 779 CG2 ILE A 63 3.220 -9.569 1.400 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.664 -7.063 -1.060 1.00 0.00 C ATOM 0 H ILE A 63 4.727 -10.454 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 63 1.987 -10.419 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 63 2.647 -8.047 -0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.192 -8.100 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.347 -9.073 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.554 -8.873 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.185 -9.852 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.849 -10.459 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.673 -6.678 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.218 -7.298 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.060 -6.309 -0.555 1.00 0.00 H new ATOM 792 N ALA A 64 0.998 -9.281 -2.416 1.00 0.00 N ATOM 793 CA ALA A 64 0.206 -8.635 -3.473 1.00 0.00 C ATOM 794 C ALA A 64 0.111 -7.124 -3.211 1.00 0.00 C ATOM 795 O ALA A 64 -0.379 -6.692 -2.178 1.00 0.00 O ATOM 796 CB ALA A 64 -1.183 -9.280 -3.542 1.00 0.00 C ATOM 0 H ALA A 64 0.438 -9.833 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 64 0.696 -8.776 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.769 -8.800 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.080 -10.342 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.689 -9.157 -2.584 1.00 0.00 H new ATOM 802 N VAL A 65 0.642 -6.387 -4.161 1.00 0.00 N ATOM 803 CA VAL A 65 0.883 -4.929 -4.108 1.00 0.00 C ATOM 804 C VAL A 65 -0.197 -4.053 -4.777 1.00 0.00 C ATOM 805 O VAL A 65 -0.259 -3.898 -5.998 1.00 0.00 O ATOM 806 CB VAL A 65 2.289 -4.663 -4.670 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.318 -4.951 -3.569 1.00 0.00 C ATOM 808 CG2 VAL A 65 2.654 -5.395 -5.963 1.00 0.00 C ATOM 0 H VAL A 65 0.940 -6.794 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 65 0.818 -4.622 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 65 2.296 -3.614 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.322 -4.767 -3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.130 -4.299 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.234 -5.992 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.668 -5.127 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.596 -6.471 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.958 -5.109 -6.752 1.00 0.00 H new ATOM 818 N TYR A 66 -0.987 -3.410 -3.924 1.00 0.00 N ATOM 819 CA TYR A 66 -2.092 -2.520 -4.335 1.00 0.00 C ATOM 820 C TYR A 66 -1.893 -1.092 -3.841 1.00 0.00 C ATOM 821 O TYR A 66 -1.397 -0.850 -2.741 1.00 0.00 O ATOM 822 CB TYR A 66 -3.415 -3.016 -3.737 1.00 0.00 C ATOM 823 CG TYR A 66 -3.775 -4.415 -4.204 1.00 0.00 C ATOM 824 CD1 TYR A 66 -4.302 -4.609 -5.490 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.415 -5.504 -3.376 1.00 0.00 C ATOM 826 CE1 TYR A 66 -4.452 -5.924 -5.987 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.571 -6.811 -3.872 1.00 0.00 C ATOM 828 CZ TYR A 66 -4.075 -7.011 -5.174 1.00 0.00 C ATOM 829 OH TYR A 66 -4.128 -8.281 -5.667 1.00 0.00 O ATOM 0 H TYR A 66 -0.885 -3.486 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.110 -2.532 -5.425 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.345 -3.006 -2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.215 -2.328 -4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.590 -3.762 -6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.028 -5.335 -2.382 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.850 -6.093 -6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.306 -7.659 -3.258 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.971 -8.263 -6.634 1.00 0.00 H new ATOM 839 N LYS A 67 -2.438 -0.169 -4.632 1.00 0.00 N ATOM 840 CA LYS A 67 -2.411 1.262 -4.305 1.00 0.00 C ATOM 841 C LYS A 67 -3.641 2.009 -4.816 1.00 0.00 C ATOM 842 O LYS A 67 -4.174 1.698 -5.875 1.00 0.00 O ATOM 843 CB LYS A 67 -1.145 1.991 -4.791 1.00 0.00 C ATOM 844 CG LYS A 67 -0.745 1.790 -6.257 1.00 0.00 C ATOM 845 CD LYS A 67 0.108 0.540 -6.409 1.00 0.00 C ATOM 846 CE LYS A 67 0.823 0.547 -7.760 1.00 0.00 C ATOM 847 NZ LYS A 67 1.555 -0.716 -7.812 1.00 0.00 N ATOM 0 H LYS A 67 -2.908 -0.386 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.409 1.277 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.283 3.059 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.310 1.674 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.638 1.705 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.193 2.660 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.840 0.491 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.518 -0.348 -6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.111 0.624 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.499 1.398 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.696 -0.995 -8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.480 -0.601 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.011 -1.453 -7.319 1.00 0.00 H new ATOM 861 N LEU A 68 -4.193 2.784 -3.899 1.00 0.00 N ATOM 862 CA LEU A 68 -5.350 3.639 -4.230 1.00 0.00 C ATOM 863 C LEU A 68 -5.285 5.071 -3.663 1.00 0.00 C ATOM 864 O LEU A 68 -4.728 5.337 -2.602 1.00 0.00 O ATOM 865 CB LEU A 68 -6.696 2.991 -3.875 1.00 0.00 C ATOM 866 CG LEU A 68 -6.964 2.847 -2.369 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.455 2.643 -2.139 1.00 0.00 C ATOM 868 CD2 LEU A 68 -6.157 1.711 -1.736 1.00 0.00 C ATOM 0 H LEU A 68 -3.875 2.849 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.283 3.734 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.497 3.584 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.740 2.003 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.638 3.766 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.648 2.541 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.004 3.502 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.783 1.741 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.384 1.653 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.419 0.768 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.092 1.902 -1.870 1.00 0.00 H new ATOM 880 N ASN A 69 -5.915 5.942 -4.439 1.00 0.00 N ATOM 881 CA ASN A 69 -6.159 7.359 -4.095 1.00 0.00 C ATOM 882 C ASN A 69 -7.268 7.356 -3.045 1.00 0.00 C ATOM 883 O ASN A 69 -8.399 6.965 -3.333 1.00 0.00 O ATOM 884 CB ASN A 69 -6.584 8.135 -5.344 1.00 0.00 C ATOM 885 CG ASN A 69 -5.621 8.071 -6.546 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.695 7.282 -6.650 1.00 0.00 O ATOM 887 ND2 ASN A 69 -5.853 8.899 -7.534 1.00 0.00 N ATOM 0 H ASN A 69 -6.286 5.687 -5.354 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.262 7.844 -3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.557 7.762 -5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.719 9.181 -5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.266 8.876 -8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.621 9.567 -7.470 1.00 0.00 H new ATOM 894 N THR A 70 -6.920 7.777 -1.839 1.00 0.00 N ATOM 895 CA THR A 70 -7.880 7.776 -0.720 1.00 0.00 C ATOM 896 C THR A 70 -9.190 8.528 -1.020 1.00 0.00 C ATOM 897 O THR A 70 -10.253 7.919 -1.035 1.00 0.00 O ATOM 898 CB THR A 70 -7.253 8.333 0.555 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.732 9.643 0.325 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.162 7.404 1.099 1.00 0.00 C ATOM 0 H THR A 70 -5.991 8.123 -1.600 1.00 0.00 H new ATOM 0 HA THR A 70 -8.140 6.727 -0.575 1.00 0.00 H new ATOM 0 HB THR A 70 -8.037 8.397 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.879 9.577 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.738 7.833 2.007 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.594 6.429 1.326 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.377 7.288 0.352 1.00 0.00 H new ATOM 908 N ASP A 71 -9.012 9.702 -1.621 1.00 0.00 N ATOM 909 CA ASP A 71 -10.123 10.589 -2.038 1.00 0.00 C ATOM 910 C ASP A 71 -10.934 10.010 -3.211 1.00 0.00 C ATOM 911 O ASP A 71 -12.018 10.504 -3.514 1.00 0.00 O ATOM 912 CB ASP A 71 -9.622 11.996 -2.374 1.00 0.00 C ATOM 913 CG ASP A 71 -9.053 12.701 -1.142 1.00 0.00 C ATOM 914 OD1 ASP A 71 -9.790 13.483 -0.511 1.00 0.00 O ATOM 915 OD2 ASP A 71 -7.851 12.461 -0.879 1.00 0.00 O ATOM 0 H ASP A 71 -8.089 10.078 -1.839 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.795 10.657 -1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.855 11.935 -3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.441 12.586 -2.785 1.00 0.00 H new ATOM 921 N GLU A 72 -10.360 9.042 -3.929 1.00 0.00 N ATOM 922 CA GLU A 72 -11.086 8.339 -4.995 1.00 0.00 C ATOM 923 C GLU A 72 -11.962 7.203 -4.433 1.00 0.00 C ATOM 924 O GLU A 72 -12.980 6.856 -5.030 1.00 0.00 O ATOM 925 CB GLU A 72 -10.082 7.784 -5.998 1.00 0.00 C ATOM 926 CG GLU A 72 -10.691 7.309 -7.318 1.00 0.00 C ATOM 927 CD GLU A 72 -9.603 6.902 -8.316 1.00 0.00 C ATOM 928 OE1 GLU A 72 -9.948 6.644 -9.497 1.00 0.00 O ATOM 929 OE2 GLU A 72 -8.418 6.936 -7.942 1.00 0.00 O ATOM 0 H GLU A 72 -9.399 8.726 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.751 9.048 -5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.340 8.553 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.552 6.950 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.353 6.463 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.302 8.104 -7.746 1.00 0.00 H new ATOM 937 N ALA A 73 -11.565 6.642 -3.288 1.00 0.00 N ATOM 938 CA ALA A 73 -12.362 5.592 -2.625 1.00 0.00 C ATOM 939 C ALA A 73 -12.749 5.952 -1.171 1.00 0.00 C ATOM 940 O ALA A 73 -12.259 5.333 -0.221 1.00 0.00 O ATOM 941 CB ALA A 73 -11.633 4.249 -2.775 1.00 0.00 C ATOM 0 H ALA A 73 -10.705 6.891 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.328 5.504 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.212 3.464 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.519 4.013 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.649 4.315 -2.310 1.00 0.00 H new ATOM 947 N PRO A 74 -13.778 6.822 -1.005 1.00 0.00 N ATOM 948 CA PRO A 74 -14.274 7.280 0.307 1.00 0.00 C ATOM 949 C PRO A 74 -15.201 6.276 1.030 1.00 0.00 C ATOM 950 O PRO A 74 -16.068 6.630 1.833 1.00 0.00 O ATOM 951 CB PRO A 74 -14.991 8.597 -0.015 1.00 0.00 C ATOM 952 CG PRO A 74 -15.585 8.339 -1.393 1.00 0.00 C ATOM 953 CD PRO A 74 -14.520 7.495 -2.092 1.00 0.00 C ATOM 0 HA PRO A 74 -13.454 7.393 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.763 8.826 0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.300 9.440 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.536 7.810 -1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.774 9.269 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.974 6.769 -2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.857 8.117 -2.693 1.00 0.00 H new ATOM 961 N GLY A 75 -14.848 5.011 0.824 1.00 0.00 N ATOM 962 CA GLY A 75 -15.514 3.818 1.391 1.00 0.00 C ATOM 963 C GLY A 75 -14.455 2.863 1.963 1.00 0.00 C ATOM 964 O GLY A 75 -14.594 2.359 3.075 1.00 0.00 O ATOM 0 H GLY A 75 -14.055 4.766 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.212 4.116 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.096 3.313 0.620 1.00 0.00 H new ATOM 968 N ILE A 76 -13.356 2.697 1.229 1.00 0.00 N ATOM 969 CA ILE A 76 -12.221 1.897 1.693 1.00 0.00 C ATOM 970 C ILE A 76 -11.485 2.519 2.881 1.00 0.00 C ATOM 971 O ILE A 76 -11.439 1.931 3.961 1.00 0.00 O ATOM 972 CB ILE A 76 -11.346 1.559 0.472 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.117 0.692 -0.538 1.00 0.00 C ATOM 974 CG2 ILE A 76 -10.017 0.913 0.842 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.813 -0.530 0.086 1.00 0.00 C ATOM 0 H ILE A 76 -13.226 3.108 0.305 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.572 0.958 2.120 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.102 2.511 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.866 1.310 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.426 0.349 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.451 0.701 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.447 1.592 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.202 -0.017 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.334 -1.089 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.068 -1.172 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.531 -0.197 0.836 1.00 0.00 H new ATOM 987 N ALA A 77 -11.074 3.766 2.710 1.00 0.00 N ATOM 988 CA ALA A 77 -10.426 4.563 3.766 1.00 0.00 C ATOM 989 C ALA A 77 -11.217 4.540 5.093 1.00 0.00 C ATOM 990 O ALA A 77 -10.674 4.137 6.125 1.00 0.00 O ATOM 991 CB ALA A 77 -10.236 5.996 3.260 1.00 0.00 C ATOM 0 H ALA A 77 -11.177 4.268 1.828 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.456 4.118 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.757 6.595 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.609 5.987 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.207 6.428 3.016 1.00 0.00 H new ATOM 997 N THR A 78 -12.532 4.672 4.929 1.00 0.00 N ATOM 998 CA THR A 78 -13.581 4.541 5.967 1.00 0.00 C ATOM 999 C THR A 78 -13.475 3.189 6.687 1.00 0.00 C ATOM 1000 O THR A 78 -13.146 3.123 7.869 1.00 0.00 O ATOM 1001 CB THR A 78 -14.901 4.562 5.222 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.926 5.659 4.295 1.00 0.00 O ATOM 1003 CG2 THR A 78 -16.148 4.564 6.103 1.00 0.00 C ATOM 0 H THR A 78 -12.930 4.887 4.015 1.00 0.00 H new ATOM 0 HA THR A 78 -13.485 5.336 6.706 1.00 0.00 H new ATOM 0 HB THR A 78 -14.947 3.613 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.651 5.525 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.038 4.580 5.474 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.157 3.667 6.723 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.140 5.447 6.743 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.667 2.125 5.905 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.739 0.734 6.357 1.00 0.00 C ATOM 1013 C GLN A 79 -12.514 0.320 7.196 1.00 0.00 C ATOM 1014 O GLN A 79 -12.648 -0.262 8.273 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.809 -0.122 5.083 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.191 -1.599 5.265 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.809 -2.145 3.961 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.891 -1.750 3.552 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.123 -2.978 3.216 1.00 0.00 N ATOM 0 H GLN A 79 -13.782 2.213 4.895 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.607 0.599 7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.530 0.335 4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.837 -0.080 4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.309 -2.182 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.901 -1.702 6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.217 -3.321 3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.495 -3.283 2.316 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.366 0.865 6.797 1.00 0.00 N ATOM 1029 CA TYR A 80 -10.064 0.593 7.435 1.00 0.00 C ATOM 1030 C TYR A 80 -9.597 1.647 8.455 1.00 0.00 C ATOM 1031 O TYR A 80 -8.507 1.515 9.016 1.00 0.00 O ATOM 1032 CB TYR A 80 -9.017 0.406 6.326 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.322 -0.849 5.502 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.380 -2.102 6.154 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.920 -0.649 4.240 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.126 -3.137 5.572 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.672 -1.676 3.658 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.769 -2.910 4.335 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.390 -3.950 3.731 1.00 0.00 O ATOM 0 H TYR A 80 -11.305 1.516 6.014 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.188 -0.312 8.030 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.008 1.281 5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.023 0.326 6.767 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.858 -2.260 7.086 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.798 0.293 3.725 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.208 -4.095 6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.168 -1.527 2.710 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.715 -4.576 4.411 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.439 2.645 8.702 1.00 0.00 N ATOM 1050 CA ASN A 81 -10.178 3.783 9.613 1.00 0.00 C ATOM 1051 C ASN A 81 -8.821 4.477 9.367 1.00 0.00 C ATOM 1052 O ASN A 81 -8.152 4.981 10.274 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.361 3.346 11.073 1.00 0.00 C ATOM 1054 CG ASN A 81 -11.855 3.254 11.389 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -12.500 4.204 11.805 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -12.443 2.096 11.165 1.00 0.00 N ATOM 0 H ASN A 81 -11.358 2.697 8.264 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.919 4.550 9.389 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.882 2.381 11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.879 4.060 11.741 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.442 1.989 11.339 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.899 1.306 10.818 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.510 4.615 8.086 1.00 0.00 N ATOM 1064 CA ILE A 82 -7.238 5.229 7.655 1.00 0.00 C ATOM 1065 C ILE A 82 -7.450 6.735 7.421 1.00 0.00 C ATOM 1066 O ILE A 82 -8.246 7.188 6.599 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.496 4.456 6.541 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.939 4.753 5.105 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.486 2.938 6.774 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.241 6.022 4.627 1.00 0.00 C ATOM 0 H ILE A 82 -9.112 4.314 7.320 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.514 5.141 8.465 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.482 4.847 6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.689 3.916 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.021 4.879 5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.951 2.448 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.989 2.718 7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.511 2.568 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.549 6.244 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.513 6.854 5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.161 5.877 4.657 1.00 0.00 H new ATOM 1082 N ARG A 83 -7.057 7.378 8.496 1.00 0.00 N ATOM 1083 CA ARG A 83 -7.037 8.850 8.635 1.00 0.00 C ATOM 1084 C ARG A 83 -5.615 9.436 8.549 1.00 0.00 C ATOM 1085 O ARG A 83 -5.423 10.609 8.266 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.627 9.234 9.998 1.00 0.00 C ATOM 1087 CG ARG A 83 -9.002 8.624 10.272 1.00 0.00 C ATOM 1088 CD ARG A 83 -10.095 9.144 9.346 1.00 0.00 C ATOM 1089 NE ARG A 83 -11.296 8.347 9.654 1.00 0.00 N ATOM 1090 CZ ARG A 83 -11.986 7.610 8.789 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -11.590 7.432 7.545 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -13.026 6.895 9.198 1.00 0.00 N ATOM 0 H ARG A 83 -6.729 6.895 9.332 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.623 9.257 7.811 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.938 8.920 10.782 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.704 10.320 10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.936 7.541 10.171 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.283 8.831 11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.277 10.206 9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.808 9.031 8.301 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.628 8.362 10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.727 7.867 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.146 6.859 6.910 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.300 6.909 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.552 6.331 8.530 1.00 0.00 H new ATOM 1106 N SER A 84 -4.641 8.578 8.813 1.00 0.00 N ATOM 1107 CA SER A 84 -3.212 8.942 8.867 1.00 0.00 C ATOM 1108 C SER A 84 -2.424 8.320 7.704 1.00 0.00 C ATOM 1109 O SER A 84 -1.938 7.177 7.732 1.00 0.00 O ATOM 1110 CB SER A 84 -2.655 8.525 10.224 1.00 0.00 C ATOM 1111 OG SER A 84 -3.018 7.167 10.470 1.00 0.00 O ATOM 0 H SER A 84 -4.812 7.590 9.000 1.00 0.00 H new ATOM 0 HA SER A 84 -3.107 10.021 8.755 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.571 8.635 10.237 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.050 9.170 11.009 1.00 0.00 H new ATOM 0 HG SER A 84 -2.728 6.609 9.718 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.463 9.088 6.621 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.806 8.770 5.337 1.00 0.00 C ATOM 1119 C ILE A 85 -0.412 9.418 5.298 1.00 0.00 C ATOM 1120 O ILE A 85 -0.318 10.593 5.676 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.661 9.127 4.101 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.768 10.187 4.277 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -3.157 7.848 3.444 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.023 9.781 5.069 1.00 0.00 C ATOM 0 H ILE A 85 -2.964 9.976 6.601 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.691 7.687 5.282 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.983 9.659 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.327 11.055 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.086 10.509 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.761 8.098 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.304 7.244 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.762 7.285 4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.714 10.623 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.508 8.939 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.737 9.493 6.081 1.00 0.00 H new ATOM 1136 N PRO A 86 0.629 8.704 4.837 1.00 0.00 N ATOM 1137 CA PRO A 86 0.608 7.343 4.251 1.00 0.00 C ATOM 1138 C PRO A 86 0.307 6.176 5.201 1.00 0.00 C ATOM 1139 O PRO A 86 0.726 6.155 6.366 1.00 0.00 O ATOM 1140 CB PRO A 86 1.957 7.195 3.559 1.00 0.00 C ATOM 1141 CG PRO A 86 2.891 8.065 4.395 1.00 0.00 C ATOM 1142 CD PRO A 86 2.010 9.240 4.813 1.00 0.00 C ATOM 0 HA PRO A 86 -0.243 7.270 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.286 6.156 3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.915 7.533 2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.275 7.524 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.754 8.397 3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.301 9.621 5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.098 10.068 4.109 1.00 0.00 H new ATOM 1150 N THR A 87 -0.548 5.289 4.706 1.00 0.00 N ATOM 1151 CA THR A 87 -0.964 4.084 5.462 1.00 0.00 C ATOM 1152 C THR A 87 -0.709 2.844 4.625 1.00 0.00 C ATOM 1153 O THR A 87 -1.104 2.772 3.460 1.00 0.00 O ATOM 1154 CB THR A 87 -2.465 4.096 5.814 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.960 5.432 5.891 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.678 3.352 7.134 1.00 0.00 C ATOM 0 H THR A 87 -0.975 5.370 3.783 1.00 0.00 H new ATOM 0 HA THR A 87 -0.383 4.080 6.384 1.00 0.00 H new ATOM 0 HB THR A 87 -3.023 3.590 5.026 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.477 5.920 6.590 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.738 3.357 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.335 2.323 7.031 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.113 3.845 7.925 1.00 0.00 H new ATOM 1164 N VAL A 88 -0.057 1.869 5.250 1.00 0.00 N ATOM 1165 CA VAL A 88 0.245 0.593 4.593 1.00 0.00 C ATOM 1166 C VAL A 88 -0.259 -0.587 5.441 1.00 0.00 C ATOM 1167 O VAL A 88 0.077 -0.734 6.617 1.00 0.00 O ATOM 1168 CB VAL A 88 1.730 0.528 4.167 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.714 0.624 5.333 1.00 0.00 C ATOM 1170 CG2 VAL A 88 1.990 -0.719 3.315 1.00 0.00 C ATOM 0 H VAL A 88 0.275 1.934 6.212 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.307 0.514 3.657 1.00 0.00 H new ATOM 0 HB VAL A 88 1.914 1.416 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.734 0.571 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.569 1.570 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.541 -0.201 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.040 -0.748 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.748 -1.611 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.367 -0.686 2.421 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.189 -1.317 4.827 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.873 -2.436 5.499 1.00 0.00 C ATOM 1182 C LEU A 89 -1.393 -3.783 4.981 1.00 0.00 C ATOM 1183 O LEU A 89 -1.016 -3.946 3.817 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.401 -2.372 5.330 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.979 -0.971 5.503 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -5.475 -0.989 5.163 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -3.802 -0.362 6.902 1.00 0.00 C ATOM 0 H LEU A 89 -1.490 -1.159 3.866 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.624 -2.337 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.664 -2.744 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.866 -3.039 6.055 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.410 -0.339 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.888 0.012 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.610 -1.312 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.991 -1.680 5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.245 0.634 6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.295 -0.995 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.740 -0.291 7.136 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.581 -4.747 5.867 1.00 0.00 N ATOM 1200 CA PHE A 90 -1.189 -6.147 5.685 1.00 0.00 C ATOM 1201 C PHE A 90 -2.341 -7.079 6.065 1.00 0.00 C ATOM 1202 O PHE A 90 -2.806 -7.165 7.211 1.00 0.00 O ATOM 1203 CB PHE A 90 0.068 -6.533 6.495 1.00 0.00 C ATOM 1204 CG PHE A 90 1.234 -5.544 6.359 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.919 -5.447 5.129 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.303 -4.514 7.311 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.631 -4.276 4.835 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.015 -3.330 7.010 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.664 -3.221 5.762 1.00 0.00 C ATOM 0 H PHE A 90 -2.027 -4.576 6.768 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.946 -6.260 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.203 -6.615 7.548 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.404 -7.519 6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.895 -6.264 4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.815 -4.626 8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.155 -4.185 3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.061 -2.521 7.725 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.194 -2.313 5.516 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.792 -7.703 5.002 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.892 -8.689 4.978 1.00 0.00 C ATOM 1221 C PHE A 91 -3.307 -10.078 4.749 1.00 0.00 C ATOM 1222 O PHE A 91 -2.384 -10.282 3.974 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.818 -8.426 3.783 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.474 -7.052 3.795 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.793 -5.938 3.258 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.807 -6.954 4.270 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.462 -4.703 3.198 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.471 -5.703 4.210 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.790 -4.589 3.673 1.00 0.00 C ATOM 0 H PHE A 91 -2.395 -7.542 4.076 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.434 -8.614 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.245 -8.535 2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.597 -9.188 3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.778 -6.033 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.310 -7.821 4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.961 -3.839 2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.484 -5.603 4.570 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.291 -3.634 3.624 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.937 -11.032 5.414 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.745 -12.473 5.172 1.00 0.00 C ATOM 1241 C LYS A 92 -5.062 -12.964 4.555 1.00 0.00 C ATOM 1242 O LYS A 92 -5.968 -13.461 5.233 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.427 -13.197 6.474 1.00 0.00 C ATOM 1244 CG LYS A 92 -2.804 -14.566 6.201 1.00 0.00 C ATOM 1245 CD LYS A 92 -1.327 -14.430 5.818 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.697 -15.805 5.644 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.725 -15.641 5.323 1.00 0.00 N ATOM 0 H LYS A 92 -4.611 -10.835 6.153 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.904 -12.670 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.743 -12.595 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.339 -13.318 7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.897 -15.195 7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.347 -15.063 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.235 -13.861 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.794 -13.873 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.812 -16.390 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.202 -16.353 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.927 -16.086 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.956 -14.628 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.302 -16.093 6.061 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.270 -12.385 3.378 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.426 -12.564 2.481 1.00 0.00 C ATOM 1263 C ASN A 93 -7.748 -12.180 3.152 1.00 0.00 C ATOM 1264 O ASN A 93 -8.405 -12.979 3.815 1.00 0.00 O ATOM 1265 CB ASN A 93 -6.459 -14.003 1.962 1.00 0.00 C ATOM 1266 CG ASN A 93 -7.311 -14.065 0.705 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -6.902 -13.641 -0.372 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -8.577 -14.396 0.877 1.00 0.00 N ATOM 0 H ASN A 93 -4.592 -11.730 2.990 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.306 -11.886 1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.447 -14.347 1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.866 -14.667 2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.238 -14.302 0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.894 -14.746 1.781 1.00 0.00 H new ATOM 1275 N GLY A 94 -8.040 -10.886 3.043 1.00 0.00 N ATOM 1276 CA GLY A 94 -9.222 -10.286 3.705 1.00 0.00 C ATOM 1277 C GLY A 94 -9.131 -10.155 5.234 1.00 0.00 C ATOM 1278 O GLY A 94 -9.920 -9.434 5.844 1.00 0.00 O ATOM 0 H GLY A 94 -7.481 -10.223 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.389 -9.295 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.097 -10.888 3.461 1.00 0.00 H new ATOM 1282 N GLU A 95 -8.021 -10.632 5.778 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.773 -10.701 7.235 1.00 0.00 C ATOM 1284 C GLU A 95 -6.616 -9.762 7.593 1.00 0.00 C ATOM 1285 O GLU A 95 -5.442 -10.090 7.454 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.404 -12.131 7.607 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.582 -13.108 7.546 1.00 0.00 C ATOM 1288 CD GLU A 95 -8.154 -14.548 7.842 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -7.494 -14.765 8.886 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -8.591 -15.434 7.079 1.00 0.00 O ATOM 0 H GLU A 95 -7.246 -10.991 5.221 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.667 -10.400 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.619 -12.480 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.989 -12.139 8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.343 -12.802 8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.039 -13.062 6.558 1.00 0.00 H new ATOM 1298 N ARG A 96 -7.026 -8.559 7.969 1.00 0.00 N ATOM 1299 CA ARG A 96 -6.083 -7.486 8.286 1.00 0.00 C ATOM 1300 C ARG A 96 -5.580 -7.578 9.732 1.00 0.00 C ATOM 1301 O ARG A 96 -6.268 -7.260 10.698 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.722 -6.129 8.004 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.616 -5.094 7.854 1.00 0.00 C ATOM 1304 CD ARG A 96 -6.188 -3.671 7.764 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.794 -3.279 9.050 1.00 0.00 N ATOM 1306 CZ ARG A 96 -7.112 -2.046 9.429 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -6.759 -0.968 8.726 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -7.680 -1.863 10.607 1.00 0.00 N ATOM 0 H ARG A 96 -8.007 -8.297 8.063 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.210 -7.600 7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.323 -6.175 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.393 -5.851 8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.935 -5.161 8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.032 -5.310 6.959 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.397 -2.970 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.936 -3.622 6.972 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.988 -4.028 9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.225 -1.074 7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.023 -0.038 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.869 -2.662 11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.930 -0.922 10.912 1.00 0.00 H new ATOM 1322 N LYS A 97 -4.400 -8.160 9.781 1.00 0.00 N ATOM 1323 CA LYS A 97 -3.646 -8.454 11.013 1.00 0.00 C ATOM 1324 C LYS A 97 -2.577 -7.419 11.383 1.00 0.00 C ATOM 1325 O LYS A 97 -2.079 -7.416 12.509 1.00 0.00 O ATOM 1326 CB LYS A 97 -3.094 -9.889 10.968 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.767 -10.440 9.583 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.551 -9.790 8.924 1.00 0.00 C ATOM 1329 CE LYS A 97 -1.133 -10.685 7.759 1.00 0.00 C ATOM 1330 NZ LYS A 97 -0.596 -9.912 6.640 1.00 0.00 N ATOM 0 H LYS A 97 -3.908 -8.458 8.939 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.361 -8.377 11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.189 -9.928 11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.821 -10.551 11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.593 -11.513 9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.634 -10.304 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.795 -8.788 8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.736 -9.686 9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.382 -11.398 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.992 -11.264 7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.867 -10.364 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.979 -8.946 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.441 -9.875 6.709 1.00 0.00 H new ATOM 1344 N GLU A 98 -2.183 -6.615 10.389 1.00 0.00 N ATOM 1345 CA GLU A 98 -1.243 -5.504 10.574 1.00 0.00 C ATOM 1346 C GLU A 98 -1.571 -4.245 9.769 1.00 0.00 C ATOM 1347 O GLU A 98 -1.988 -4.322 8.612 1.00 0.00 O ATOM 1348 CB GLU A 98 0.202 -5.950 10.374 1.00 0.00 C ATOM 1349 CG GLU A 98 0.855 -6.294 11.723 1.00 0.00 C ATOM 1350 CD GLU A 98 1.154 -5.043 12.554 1.00 0.00 C ATOM 1351 OE1 GLU A 98 2.355 -4.702 12.635 1.00 0.00 O ATOM 1352 OE2 GLU A 98 0.204 -4.405 13.061 1.00 0.00 O ATOM 0 H GLU A 98 -2.509 -6.718 9.428 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.365 -5.203 11.614 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.232 -6.819 9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.767 -5.159 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.196 -6.954 12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.781 -6.842 11.548 1.00 0.00 H new ATOM 1360 N SER A 99 -1.212 -3.126 10.389 1.00 0.00 N ATOM 1361 CA SER A 99 -1.462 -1.777 9.855 1.00 0.00 C ATOM 1362 C SER A 99 -0.378 -0.807 10.348 1.00 0.00 C ATOM 1363 O SER A 99 -0.241 -0.553 11.542 1.00 0.00 O ATOM 1364 CB SER A 99 -2.831 -1.252 10.289 1.00 0.00 C ATOM 1365 OG SER A 99 -3.849 -2.154 9.847 1.00 0.00 O ATOM 0 H SER A 99 -0.732 -3.122 11.289 1.00 0.00 H new ATOM 0 HA SER A 99 -1.440 -1.843 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.866 -1.150 11.374 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.002 -0.260 9.870 1.00 0.00 H new ATOM 0 HG SER A 99 -4.604 -2.127 10.471 1.00 0.00 H new ATOM 1371 N ILE A 100 0.486 -0.448 9.408 1.00 0.00 N ATOM 1372 CA ILE A 100 1.591 0.490 9.655 1.00 0.00 C ATOM 1373 C ILE A 100 1.257 1.879 9.101 1.00 0.00 C ATOM 1374 O ILE A 100 0.993 2.106 7.919 1.00 0.00 O ATOM 1375 CB ILE A 100 2.940 -0.152 9.243 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.581 -0.840 10.456 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.986 0.788 8.650 1.00 0.00 C ATOM 1378 CD1 ILE A 100 2.887 -2.127 10.898 1.00 0.00 C ATOM 0 H ILE A 100 0.447 -0.795 8.450 1.00 0.00 H new ATOM 0 HA ILE A 100 1.724 0.685 10.719 1.00 0.00 H new ATOM 0 HB ILE A 100 2.663 -0.845 8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.621 -1.066 10.221 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.588 -0.141 11.292 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.884 0.223 8.402 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.588 1.252 7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.233 1.562 9.377 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.408 -2.543 11.760 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.854 -1.909 11.169 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.904 -2.848 10.081 1.00 0.00 H new ATOM 1390 N ILE A 101 1.096 2.746 10.099 1.00 0.00 N ATOM 1391 CA ILE A 101 0.684 4.155 9.964 1.00 0.00 C ATOM 1392 C ILE A 101 1.899 5.104 9.949 1.00 0.00 C ATOM 1393 O ILE A 101 2.869 4.914 10.692 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.321 4.405 11.116 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.729 3.935 10.713 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -0.378 5.824 11.668 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -2.083 2.559 11.290 1.00 0.00 C ATOM 0 H ILE A 101 1.255 2.480 11.071 1.00 0.00 H new ATOM 0 HA ILE A 101 0.200 4.362 9.010 1.00 0.00 H new ATOM 0 HB ILE A 101 0.069 3.809 11.941 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.462 4.666 11.053 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.797 3.897 9.626 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.117 5.874 12.468 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.601 6.102 12.060 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.659 6.513 10.872 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.087 2.279 10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.369 1.819 10.929 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.045 2.600 12.379 1.00 0.00 H new ATOM 1409 N GLY A 102 1.831 6.058 9.023 1.00 0.00 N ATOM 1410 CA GLY A 102 2.810 7.156 8.806 1.00 0.00 C ATOM 1411 C GLY A 102 4.163 6.754 8.175 1.00 0.00 C ATOM 1412 O GLY A 102 4.839 7.564 7.533 1.00 0.00 O ATOM 0 H GLY A 102 1.056 6.101 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.345 7.908 8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.009 7.632 9.766 1.00 0.00 H new ATOM 1416 N ALA A 103 4.587 5.546 8.494 1.00 0.00 N ATOM 1417 CA ALA A 103 5.878 4.960 8.089 1.00 0.00 C ATOM 1418 C ALA A 103 6.134 4.858 6.582 1.00 0.00 C ATOM 1419 O ALA A 103 5.397 4.223 5.834 1.00 0.00 O ATOM 1420 CB ALA A 103 6.044 3.596 8.762 1.00 0.00 C ATOM 0 H ALA A 103 4.029 4.910 9.064 1.00 0.00 H new ATOM 0 HA ALA A 103 6.635 5.667 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.997 3.158 8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.022 3.719 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.231 2.938 8.455 1.00 0.00 H new ATOM 1426 N VAL A 104 6.971 5.799 6.158 1.00 0.00 N ATOM 1427 CA VAL A 104 7.569 5.832 4.809 1.00 0.00 C ATOM 1428 C VAL A 104 9.035 5.300 4.638 1.00 0.00 C ATOM 1429 O VAL A 104 9.383 4.974 3.501 1.00 0.00 O ATOM 1430 CB VAL A 104 7.295 7.212 4.179 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.178 8.336 4.752 1.00 0.00 C ATOM 1432 CG2 VAL A 104 7.381 7.173 2.659 1.00 0.00 C ATOM 0 H VAL A 104 7.264 6.579 6.746 1.00 0.00 H new ATOM 0 HA VAL A 104 7.059 5.058 4.235 1.00 0.00 H new ATOM 0 HB VAL A 104 6.269 7.455 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.931 9.278 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.002 8.427 5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.227 8.100 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.181 8.166 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.379 6.855 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.644 6.470 2.271 1.00 0.00 H new ATOM 1442 N PRO A 105 9.916 5.199 5.655 1.00 0.00 N ATOM 1443 CA PRO A 105 11.262 4.614 5.488 1.00 0.00 C ATOM 1444 C PRO A 105 11.184 3.121 5.152 1.00 0.00 C ATOM 1445 O PRO A 105 10.756 2.301 5.956 1.00 0.00 O ATOM 1446 CB PRO A 105 12.035 4.890 6.771 1.00 0.00 C ATOM 1447 CG PRO A 105 10.959 5.151 7.808 1.00 0.00 C ATOM 1448 CD PRO A 105 9.846 5.819 6.993 1.00 0.00 C ATOM 0 HA PRO A 105 11.783 5.069 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.659 4.041 7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.697 5.749 6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 105 10.617 4.228 8.276 1.00 0.00 H new ATOM 0 HG3 PRO A 105 11.318 5.799 8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.871 5.656 7.452 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.994 6.897 6.935 1.00 0.00 H new ATOM 1456 N LYS A 106 11.661 2.835 3.952 1.00 0.00 N ATOM 1457 CA LYS A 106 11.662 1.513 3.282 1.00 0.00 C ATOM 1458 C LYS A 106 11.853 0.311 4.234 1.00 0.00 C ATOM 1459 O LYS A 106 10.950 -0.499 4.387 1.00 0.00 O ATOM 1460 CB LYS A 106 12.727 1.527 2.179 1.00 0.00 C ATOM 1461 CG LYS A 106 12.377 0.657 0.957 1.00 0.00 C ATOM 1462 CD LYS A 106 12.558 -0.854 1.151 1.00 0.00 C ATOM 1463 CE LYS A 106 14.021 -1.296 1.149 1.00 0.00 C ATOM 1464 NZ LYS A 106 14.587 -1.149 -0.205 1.00 0.00 N ATOM 0 H LYS A 106 12.089 3.555 3.370 1.00 0.00 H new ATOM 0 HA LYS A 106 10.669 1.363 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.879 2.554 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.673 1.183 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.340 0.849 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.995 0.975 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.098 -1.149 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.026 -1.381 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 106 14.592 -0.697 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 106 14.097 -2.334 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 15.472 -1.691 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 13.908 -1.508 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 14.780 -0.145 -0.393 1.00 0.00 H new ATOM 1478 N SER A 107 12.903 0.395 5.046 1.00 0.00 N ATOM 1479 CA SER A 107 13.271 -0.654 6.019 1.00 0.00 C ATOM 1480 C SER A 107 12.162 -1.038 7.015 1.00 0.00 C ATOM 1481 O SER A 107 11.927 -2.213 7.264 1.00 0.00 O ATOM 1482 CB SER A 107 14.535 -0.242 6.768 1.00 0.00 C ATOM 1483 OG SER A 107 14.362 1.082 7.286 1.00 0.00 O ATOM 0 H SER A 107 13.534 1.196 5.055 1.00 0.00 H new ATOM 0 HA SER A 107 13.445 -1.554 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.735 -0.940 7.580 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.396 -0.275 6.100 1.00 0.00 H new ATOM 0 HG SER A 107 15.170 1.352 7.770 1.00 0.00 H new ATOM 1489 N THR A 108 11.454 -0.048 7.552 1.00 0.00 N ATOM 1490 CA THR A 108 10.287 -0.250 8.443 1.00 0.00 C ATOM 1491 C THR A 108 9.124 -0.985 7.780 1.00 0.00 C ATOM 1492 O THR A 108 8.428 -1.804 8.373 1.00 0.00 O ATOM 1493 CB THR A 108 9.847 1.127 8.953 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.976 1.799 9.508 1.00 0.00 O ATOM 1495 CG2 THR A 108 8.726 1.044 9.985 1.00 0.00 C ATOM 0 H THR A 108 11.668 0.935 7.386 1.00 0.00 H new ATOM 0 HA THR A 108 10.593 -0.897 9.265 1.00 0.00 H new ATOM 0 HB THR A 108 9.449 1.684 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.703 2.682 9.835 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.456 2.049 10.310 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.857 0.560 9.540 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.064 0.463 10.843 1.00 0.00 H new ATOM 1503 N LEU A 109 8.905 -0.630 6.532 1.00 0.00 N ATOM 1504 CA LEU A 109 7.923 -1.281 5.649 1.00 0.00 C ATOM 1505 C LEU A 109 8.302 -2.749 5.428 1.00 0.00 C ATOM 1506 O LEU A 109 7.492 -3.609 5.756 1.00 0.00 O ATOM 1507 CB LEU A 109 7.742 -0.517 4.334 1.00 0.00 C ATOM 1508 CG LEU A 109 6.957 0.752 4.660 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.854 1.958 4.931 1.00 0.00 C ATOM 1510 CD2 LEU A 109 5.993 1.141 3.532 1.00 0.00 C ATOM 0 H LEU A 109 9.408 0.134 6.080 1.00 0.00 H new ATOM 0 HA LEU A 109 6.951 -1.260 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.709 -0.270 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.207 -1.125 3.605 1.00 0.00 H new ATOM 0 HG LEU A 109 6.402 0.503 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.236 2.827 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.504 1.745 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.463 2.164 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.457 2.049 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.557 1.317 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.279 0.334 3.369 1.00 0.00 H new ATOM 1522 N THR A 110 9.601 -2.996 5.280 1.00 0.00 N ATOM 1523 CA THR A 110 10.143 -4.371 5.196 1.00 0.00 C ATOM 1524 C THR A 110 9.907 -5.144 6.509 1.00 0.00 C ATOM 1525 O THR A 110 9.385 -6.256 6.533 1.00 0.00 O ATOM 1526 CB THR A 110 11.631 -4.415 4.815 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.870 -3.595 3.661 1.00 0.00 O ATOM 1528 CG2 THR A 110 12.011 -5.860 4.510 1.00 0.00 C ATOM 0 H THR A 110 10.310 -2.265 5.214 1.00 0.00 H new ATOM 0 HA THR A 110 9.595 -4.858 4.390 1.00 0.00 H new ATOM 0 HB THR A 110 12.234 -4.035 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.100 -4.164 2.897 1.00 0.00 H new ATOM 0 HG21 THR A 110 13.065 -5.909 4.237 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.835 -6.476 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.405 -6.229 3.683 1.00 0.00 H new ATOM 1536 N ASP A 111 10.260 -4.470 7.604 1.00 0.00 N ATOM 1537 CA ASP A 111 10.027 -4.924 8.987 1.00 0.00 C ATOM 1538 C ASP A 111 8.586 -5.448 9.172 1.00 0.00 C ATOM 1539 O ASP A 111 8.400 -6.640 9.445 1.00 0.00 O ATOM 1540 CB ASP A 111 10.302 -3.710 9.874 1.00 0.00 C ATOM 1541 CG ASP A 111 10.240 -3.978 11.394 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.608 -3.136 12.072 1.00 0.00 O ATOM 1543 OD2 ASP A 111 10.864 -4.966 11.836 1.00 0.00 O ATOM 0 H ASP A 111 10.730 -3.566 7.558 1.00 0.00 H new ATOM 0 HA ASP A 111 10.678 -5.759 9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.290 -3.318 9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.581 -2.930 9.629 1.00 0.00 H new ATOM 1549 N SER A 112 7.645 -4.650 8.667 1.00 0.00 N ATOM 1550 CA SER A 112 6.192 -4.885 8.751 1.00 0.00 C ATOM 1551 C SER A 112 5.642 -6.185 8.153 1.00 0.00 C ATOM 1552 O SER A 112 4.656 -6.710 8.670 1.00 0.00 O ATOM 1553 CB SER A 112 5.439 -3.689 8.168 1.00 0.00 C ATOM 1554 OG SER A 112 5.774 -2.500 8.886 1.00 0.00 O ATOM 0 H SER A 112 7.875 -3.790 8.169 1.00 0.00 H new ATOM 0 HA SER A 112 6.019 -5.006 9.820 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.691 -3.570 7.114 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.365 -3.865 8.221 1.00 0.00 H new ATOM 0 HG SER A 112 6.707 -2.260 8.705 1.00 0.00 H new ATOM 1560 N ILE A 113 6.290 -6.700 7.112 1.00 0.00 N ATOM 1561 CA ILE A 113 5.907 -8.001 6.510 1.00 0.00 C ATOM 1562 C ILE A 113 6.548 -9.173 7.265 1.00 0.00 C ATOM 1563 O ILE A 113 5.913 -10.149 7.659 1.00 0.00 O ATOM 1564 CB ILE A 113 6.311 -8.288 5.073 1.00 0.00 C ATOM 1565 CG1 ILE A 113 7.423 -7.425 4.492 1.00 0.00 C ATOM 1566 CG2 ILE A 113 5.092 -8.478 4.194 1.00 0.00 C ATOM 1567 CD1 ILE A 113 7.001 -6.019 4.094 1.00 0.00 C ATOM 0 H ILE A 113 7.084 -6.247 6.659 1.00 0.00 H new ATOM 0 HA ILE A 113 4.822 -7.914 6.565 1.00 0.00 H new ATOM 0 HB ILE A 113 6.829 -9.247 5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.228 -7.354 5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.833 -7.927 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.409 -8.682 3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.503 -9.317 4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.486 -7.572 4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.860 -5.482 3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.220 -6.074 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.621 -5.492 4.969 1.00 0.00 H new ATOM 1579 N GLU A 114 7.874 -9.036 7.317 1.00 0.00 N ATOM 1580 CA GLU A 114 8.793 -10.042 7.867 1.00 0.00 C ATOM 1581 C GLU A 114 8.446 -10.400 9.314 1.00 0.00 C ATOM 1582 O GLU A 114 8.260 -11.557 9.611 1.00 0.00 O ATOM 1583 CB GLU A 114 10.244 -9.605 7.633 1.00 0.00 C ATOM 1584 CG GLU A 114 10.464 -9.408 6.127 1.00 0.00 C ATOM 1585 CD GLU A 114 11.953 -9.417 5.769 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.655 -8.468 6.164 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.349 -10.381 5.076 1.00 0.00 O ATOM 0 H GLU A 114 8.353 -8.205 6.971 1.00 0.00 H new ATOM 0 HA GLU A 114 8.673 -10.984 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.450 -8.679 8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.932 -10.357 8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.952 -10.198 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.020 -8.463 5.814 1.00 0.00 H new ATOM 1595 N LYS A 115 7.874 -9.413 9.991 1.00 0.00 N ATOM 1596 CA LYS A 115 7.188 -9.543 11.283 1.00 0.00 C ATOM 1597 C LYS A 115 6.337 -10.826 11.443 1.00 0.00 C ATOM 1598 O LYS A 115 6.416 -11.507 12.458 1.00 0.00 O ATOM 1599 CB LYS A 115 6.299 -8.308 11.229 1.00 0.00 C ATOM 1600 CG LYS A 115 5.536 -8.096 12.534 1.00 0.00 C ATOM 1601 CD LYS A 115 4.905 -6.710 12.503 1.00 0.00 C ATOM 1602 CE LYS A 115 5.979 -5.618 12.507 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.271 -4.359 12.757 1.00 0.00 N ATOM 0 H LYS A 115 7.872 -8.454 9.644 1.00 0.00 H new ATOM 0 HA LYS A 115 7.878 -9.616 12.124 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.910 -7.430 11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.591 -8.407 10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.767 -8.860 12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.210 -8.187 13.386 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.283 -6.610 11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.251 -6.585 13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.725 -5.807 13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.507 -5.586 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.531 -3.664 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.245 -4.526 12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.535 -3.993 13.694 1.00 0.00 H new ATOM 1617 N TYR A 116 5.551 -11.115 10.409 1.00 0.00 N ATOM 1618 CA TYR A 116 4.638 -12.272 10.369 1.00 0.00 C ATOM 1619 C TYR A 116 5.053 -13.433 9.434 1.00 0.00 C ATOM 1620 O TYR A 116 5.073 -14.580 9.875 1.00 0.00 O ATOM 1621 CB TYR A 116 3.198 -11.830 10.077 1.00 0.00 C ATOM 1622 CG TYR A 116 3.036 -10.947 8.826 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.926 -11.559 7.557 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.870 -9.567 9.006 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.692 -10.754 6.425 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.602 -8.764 7.890 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.532 -9.370 6.612 1.00 0.00 C ATOM 1628 OH TYR A 116 2.199 -8.621 5.540 1.00 0.00 O ATOM 0 H TYR A 116 5.524 -10.550 9.560 1.00 0.00 H new ATOM 0 HA TYR A 116 4.705 -12.693 11.372 1.00 0.00 H new ATOM 0 HB2 TYR A 116 2.577 -12.718 9.961 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.818 -11.285 10.941 1.00 0.00 H new ATOM 0 HD1 TYR A 116 3.020 -12.630 7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.948 -9.129 9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.637 -11.189 5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.451 -7.700 8.002 1.00 0.00 H new ATOM 0 HH TYR A 116 2.290 -7.671 5.764 1.00 0.00 H new ATOM 1638 N LEU A 117 5.391 -13.141 8.175 1.00 0.00 N ATOM 1639 CA LEU A 117 5.735 -14.183 7.168 1.00 0.00 C ATOM 1640 C LEU A 117 7.120 -14.814 7.337 1.00 0.00 C ATOM 1641 O LEU A 117 7.561 -15.661 6.557 1.00 0.00 O ATOM 1642 CB LEU A 117 5.531 -13.709 5.729 1.00 0.00 C ATOM 1643 CG LEU A 117 6.359 -12.495 5.267 1.00 0.00 C ATOM 1644 CD1 LEU A 117 7.802 -12.835 4.897 1.00 0.00 C ATOM 1645 CD2 LEU A 117 5.644 -11.971 4.019 1.00 0.00 C ATOM 0 H LEU A 117 5.438 -12.188 7.814 1.00 0.00 H new ATOM 0 HA LEU A 117 5.017 -14.977 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.753 -14.543 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.476 -13.469 5.598 1.00 0.00 H new ATOM 0 HG LEU A 117 6.424 -11.775 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.320 -11.929 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.309 -13.260 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.808 -13.558 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.177 -11.103 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.620 -12.752 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.624 -11.685 4.277 1.00 0.00 H new TER 1657 LEU A 117