USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= 0.0397 K(o=0.16,f=-4.3!) USER MOD Set 1.2: A 115 THR OG1 : rot -83:sc= 0.116 USER MOD Set 2.1: A 42 MET CE :methyl 154:sc= -0.109 (180deg=0) USER MOD Set 2.2: A 56 ASN : amide:sc= -1.52 K(o=-1.6,f=-5.2!) USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 74:sc= 1.12 USER MOD Single : A 19 SER OG : rot 20:sc= 0.604 USER MOD Single : A 25 SER OG : rot 26:sc= 0.343 USER MOD Single : A 32 MET CE :methyl -162:sc= -0.0726 (180deg=-0.589) USER MOD Single : A 33 THR OG1 : rot 178:sc= -0.636 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.1 K(o=-1.1,f=-3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -2.01! C(o=-2!,f=-3.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 38:sc= 0.124 USER MOD Single : A 69 SER OG : rot 149:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.536 K(o=0.54,f=-0.029) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -82:sc= 0.187 USER MOD Single : A 93 THR OG1 : rot -29:sc= 0.593 USER MOD Single : A 94 TYR OH : rot -50:sc= 0.518 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 98 LYS NZ :NH3+ -125:sc= -1.73 (180deg=-6.28!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -1.18 USER MOD Single : A 110 LYS NZ :NH3+ -136:sc= 0.677 (180deg=0.0102) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 96:sc= 1.32 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -6.303 26.549 -5.028 1.00 0.00 N ATOM 67 CA GLU A 8 -6.783 25.972 -3.778 1.00 0.00 C ATOM 68 C GLU A 8 -6.259 24.550 -3.598 1.00 0.00 C ATOM 69 O GLU A 8 -6.199 23.773 -4.551 1.00 0.00 O ATOM 70 CB GLU A 8 -8.313 25.971 -3.745 1.00 0.00 C ATOM 71 CG GLU A 8 -8.896 25.185 -2.583 1.00 0.00 C ATOM 72 CD GLU A 8 -10.279 25.667 -2.188 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.386 26.796 -1.665 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.253 24.915 -2.402 1.00 0.00 O ATOM 0 HA GLU A 8 -6.409 26.585 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.668 27.000 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.688 25.554 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.946 24.130 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.229 25.264 -1.725 1.00 0.00 H new ATOM 81 N LEU A 9 -5.878 24.218 -2.369 1.00 0.00 N ATOM 82 CA LEU A 9 -5.358 22.890 -2.063 1.00 0.00 C ATOM 83 C LEU A 9 -6.188 21.808 -2.747 1.00 0.00 C ATOM 84 O LEU A 9 -7.355 22.022 -3.071 1.00 0.00 O ATOM 85 CB LEU A 9 -5.348 22.661 -0.550 1.00 0.00 C ATOM 86 CG LEU A 9 -5.000 21.246 -0.088 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.287 21.283 1.255 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.255 20.388 -0.003 1.00 0.00 C ATOM 0 H LEU A 9 -5.919 24.850 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.337 22.831 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.635 23.353 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.332 22.918 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.328 20.801 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.047 20.267 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.367 21.861 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.935 21.748 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.988 19.384 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.951 20.831 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.726 20.334 -0.985 1.00 0.00 H new ATOM 100 N GLN A 10 -5.577 20.647 -2.960 1.00 0.00 N ATOM 101 CA GLN A 10 -6.261 19.532 -3.604 1.00 0.00 C ATOM 102 C GLN A 10 -5.471 18.238 -3.435 1.00 0.00 C ATOM 103 O GLN A 10 -4.241 18.238 -3.491 1.00 0.00 O ATOM 104 CB GLN A 10 -6.471 19.825 -5.091 1.00 0.00 C ATOM 105 CG GLN A 10 -6.630 18.575 -5.941 1.00 0.00 C ATOM 106 CD GLN A 10 -7.917 17.829 -5.647 1.00 0.00 C ATOM 107 OE1 GLN A 10 -8.922 18.429 -5.264 1.00 0.00 O ATOM 108 NE2 GLN A 10 -7.893 16.514 -5.827 1.00 0.00 N ATOM 0 H GLN A 10 -4.611 20.454 -2.696 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.232 19.409 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.357 20.449 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.624 20.401 -5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.608 18.852 -6.995 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.782 17.912 -5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.038 16.058 -6.146 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.730 15.959 -5.647 1.00 0.00 H new ATOM 117 N VAL A 11 -6.185 17.137 -3.228 1.00 0.00 N ATOM 118 CA VAL A 11 -5.551 15.836 -3.052 1.00 0.00 C ATOM 119 C VAL A 11 -5.134 15.242 -4.393 1.00 0.00 C ATOM 120 O VAL A 11 -5.978 14.834 -5.192 1.00 0.00 O ATOM 121 CB VAL A 11 -6.489 14.847 -2.334 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.900 13.445 -2.351 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.755 15.306 -0.908 1.00 0.00 C ATOM 0 H VAL A 11 -7.204 17.120 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.665 15.996 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.440 14.822 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.576 12.760 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.766 13.119 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.935 13.449 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.419 14.596 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.813 15.361 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.223 16.290 -0.924 1.00 0.00 H new ATOM 133 N ILE A 12 -3.828 15.195 -4.632 1.00 0.00 N ATOM 134 CA ILE A 12 -3.299 14.649 -5.876 1.00 0.00 C ATOM 135 C ILE A 12 -2.954 13.171 -5.725 1.00 0.00 C ATOM 136 O ILE A 12 -2.015 12.813 -5.014 1.00 0.00 O ATOM 137 CB ILE A 12 -2.043 15.413 -6.337 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.381 16.882 -6.598 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.460 14.768 -7.586 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.484 17.078 -7.614 1.00 0.00 C ATOM 0 H ILE A 12 -3.117 15.528 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.080 14.763 -6.628 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.296 15.367 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.676 17.351 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.484 17.397 -6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.573 15.319 -7.900 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.188 13.735 -7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.201 14.788 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.670 18.144 -7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.184 16.639 -8.566 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.394 16.593 -7.261 1.00 0.00 H new ATOM 152 N GLN A 13 -3.720 12.319 -6.398 1.00 0.00 N ATOM 153 CA GLN A 13 -3.494 10.879 -6.339 1.00 0.00 C ATOM 154 C GLN A 13 -3.148 10.326 -7.718 1.00 0.00 C ATOM 155 O GLN A 13 -4.020 9.930 -8.492 1.00 0.00 O ATOM 156 CB GLN A 13 -4.732 10.170 -5.788 1.00 0.00 C ATOM 157 CG GLN A 13 -4.740 10.050 -4.273 1.00 0.00 C ATOM 158 CD GLN A 13 -5.679 8.968 -3.778 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.521 8.471 -4.526 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.538 8.596 -2.511 1.00 0.00 N ATOM 0 H GLN A 13 -4.502 12.600 -6.990 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.652 10.695 -5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.623 10.712 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.793 9.173 -6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.730 9.836 -3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.032 11.006 -3.838 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.826 9.035 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.141 7.871 -2.122 1.00 0.00 H new ATOM 169 N PRO A 14 -1.845 10.296 -8.034 1.00 0.00 N ATOM 170 CA PRO A 14 -1.353 9.793 -9.320 1.00 0.00 C ATOM 171 C PRO A 14 -1.520 8.283 -9.454 1.00 0.00 C ATOM 172 O PRO A 14 -1.646 7.759 -10.560 1.00 0.00 O ATOM 173 CB PRO A 14 0.131 10.167 -9.304 1.00 0.00 C ATOM 174 CG PRO A 14 0.484 10.253 -7.859 1.00 0.00 C ATOM 175 CD PRO A 14 -0.750 10.751 -7.160 1.00 0.00 C ATOM 0 HA PRO A 14 -1.904 10.216 -10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.734 9.416 -9.815 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.306 11.116 -9.811 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.785 9.279 -7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.322 10.932 -7.702 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.838 10.336 -6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.743 11.836 -7.057 1.00 0.00 H new ATOM 183 N GLU A 15 -1.521 7.589 -8.319 1.00 0.00 N ATOM 184 CA GLU A 15 -1.672 6.139 -8.312 1.00 0.00 C ATOM 185 C GLU A 15 -3.114 5.744 -8.004 1.00 0.00 C ATOM 186 O GLU A 15 -3.472 5.508 -6.850 1.00 0.00 O ATOM 187 CB GLU A 15 -0.729 5.511 -7.283 1.00 0.00 C ATOM 188 CG GLU A 15 0.644 5.176 -7.842 1.00 0.00 C ATOM 189 CD GLU A 15 0.659 3.866 -8.604 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.229 2.842 -8.034 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.103 3.865 -9.772 1.00 0.00 O ATOM 0 H GLU A 15 -1.419 8.007 -7.394 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.415 5.767 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.613 6.196 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.185 4.601 -6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.969 5.980 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.363 5.125 -7.024 1.00 0.00 H new ATOM 198 N LYS A 16 -3.937 5.676 -9.044 1.00 0.00 N ATOM 199 CA LYS A 16 -5.340 5.309 -8.888 1.00 0.00 C ATOM 200 C LYS A 16 -5.480 4.035 -8.062 1.00 0.00 C ATOM 201 O LYS A 16 -6.521 3.791 -7.452 1.00 0.00 O ATOM 202 CB LYS A 16 -5.994 5.116 -10.258 1.00 0.00 C ATOM 203 CG LYS A 16 -5.266 4.121 -11.145 1.00 0.00 C ATOM 204 CD LYS A 16 -6.180 3.560 -12.221 1.00 0.00 C ATOM 205 CE LYS A 16 -5.475 2.501 -13.055 1.00 0.00 C ATOM 206 NZ LYS A 16 -4.644 3.108 -14.132 1.00 0.00 N ATOM 0 H LYS A 16 -3.657 5.870 -10.005 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.845 6.119 -8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.021 4.780 -10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.040 6.078 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.409 4.607 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.877 3.305 -10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.067 3.128 -11.758 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.520 4.368 -12.869 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.844 1.891 -12.409 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.215 1.835 -13.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.180 2.355 -14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.250 3.670 -14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.921 3.724 -13.707 1.00 0.00 H new ATOM 220 N SER A 17 -4.426 3.226 -8.046 1.00 0.00 N ATOM 221 CA SER A 17 -4.433 1.975 -7.296 1.00 0.00 C ATOM 222 C SER A 17 -3.026 1.395 -7.194 1.00 0.00 C ATOM 223 O SER A 17 -2.147 1.723 -7.992 1.00 0.00 O ATOM 224 CB SER A 17 -5.367 0.963 -7.961 1.00 0.00 C ATOM 225 OG SER A 17 -4.939 -0.365 -7.714 1.00 0.00 O ATOM 0 H SER A 17 -3.556 3.414 -8.544 1.00 0.00 H new ATOM 0 HA SER A 17 -4.794 2.185 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.381 1.097 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.399 1.144 -9.035 1.00 0.00 H new ATOM 0 HG SER A 17 -5.134 -0.604 -6.784 1.00 0.00 H new ATOM 231 N VAL A 18 -2.819 0.530 -6.206 1.00 0.00 N ATOM 232 CA VAL A 18 -1.519 -0.097 -5.999 1.00 0.00 C ATOM 233 C VAL A 18 -1.605 -1.609 -6.175 1.00 0.00 C ATOM 234 O VAL A 18 -2.678 -2.200 -6.047 1.00 0.00 O ATOM 235 CB VAL A 18 -0.962 0.214 -4.597 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.269 -0.632 -4.311 1.00 0.00 C ATOM 237 CG2 VAL A 18 -0.642 1.696 -4.469 1.00 0.00 C ATOM 0 H VAL A 18 -3.535 0.248 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.845 0.317 -6.749 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.724 -0.036 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.648 -0.398 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.004 -1.688 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.039 -0.417 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.250 1.899 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.102 1.973 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.549 2.279 -4.627 1.00 0.00 H new ATOM 247 N SER A 19 -0.468 -2.231 -6.469 1.00 0.00 N ATOM 248 CA SER A 19 -0.414 -3.675 -6.666 1.00 0.00 C ATOM 249 C SER A 19 0.720 -4.292 -5.853 1.00 0.00 C ATOM 250 O SER A 19 1.888 -3.950 -6.036 1.00 0.00 O ATOM 251 CB SER A 19 -0.232 -4.002 -8.149 1.00 0.00 C ATOM 252 OG SER A 19 1.077 -3.677 -8.585 1.00 0.00 O ATOM 0 H SER A 19 0.429 -1.757 -6.576 1.00 0.00 H new ATOM 0 HA SER A 19 -1.357 -4.100 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.422 -5.062 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.963 -3.449 -8.739 1.00 0.00 H new ATOM 0 HG SER A 19 1.672 -3.608 -7.810 1.00 0.00 H new ATOM 258 N VAL A 20 0.366 -5.206 -4.954 1.00 0.00 N ATOM 259 CA VAL A 20 1.353 -5.873 -4.114 1.00 0.00 C ATOM 260 C VAL A 20 0.979 -7.332 -3.880 1.00 0.00 C ATOM 261 O VAL A 20 -0.001 -7.829 -4.434 1.00 0.00 O ATOM 262 CB VAL A 20 1.500 -5.167 -2.752 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.525 -4.047 -2.839 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.155 -4.636 -2.281 1.00 0.00 C ATOM 0 H VAL A 20 -0.596 -5.501 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 20 2.304 -5.825 -4.644 1.00 0.00 H new ATOM 0 HB VAL A 20 1.854 -5.894 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.615 -3.560 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.491 -4.460 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.204 -3.317 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.277 -4.140 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.230 -3.923 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.547 -5.464 -2.177 1.00 0.00 H new ATOM 274 N ALA A 21 1.766 -8.014 -3.054 1.00 0.00 N ATOM 275 CA ALA A 21 1.517 -9.416 -2.744 1.00 0.00 C ATOM 276 C ALA A 21 1.510 -9.653 -1.238 1.00 0.00 C ATOM 277 O ALA A 21 2.269 -9.027 -0.498 1.00 0.00 O ATOM 278 CB ALA A 21 2.560 -10.299 -3.414 1.00 0.00 C ATOM 0 H ALA A 21 2.582 -7.618 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 21 0.532 -9.678 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.361 -11.343 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.514 -10.160 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.552 -10.026 -3.055 1.00 0.00 H new ATOM 284 N ALA A 22 0.647 -10.559 -0.790 1.00 0.00 N ATOM 285 CA ALA A 22 0.543 -10.879 0.628 1.00 0.00 C ATOM 286 C ALA A 22 1.923 -11.006 1.266 1.00 0.00 C ATOM 287 O ALA A 22 2.656 -11.956 0.997 1.00 0.00 O ATOM 288 CB ALA A 22 -0.251 -12.162 0.823 1.00 0.00 C ATOM 0 H ALA A 22 0.010 -11.084 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 22 0.018 -10.061 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.321 -12.389 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.253 -12.036 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.251 -12.982 0.309 1.00 0.00 H new ATOM 294 N GLY A 23 2.270 -10.041 2.111 1.00 0.00 N ATOM 295 CA GLY A 23 3.562 -10.063 2.773 1.00 0.00 C ATOM 296 C GLY A 23 4.559 -9.119 2.130 1.00 0.00 C ATOM 297 O GLY A 23 5.750 -9.166 2.433 1.00 0.00 O ATOM 0 H GLY A 23 1.680 -9.244 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.434 -9.793 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.961 -11.077 2.752 1.00 0.00 H new ATOM 301 N GLU A 24 4.070 -8.261 1.240 1.00 0.00 N ATOM 302 CA GLU A 24 4.928 -7.304 0.552 1.00 0.00 C ATOM 303 C GLU A 24 4.717 -5.895 1.096 1.00 0.00 C ATOM 304 O GLU A 24 3.952 -5.690 2.038 1.00 0.00 O ATOM 305 CB GLU A 24 4.652 -7.328 -0.953 1.00 0.00 C ATOM 306 CG GLU A 24 5.022 -8.643 -1.619 1.00 0.00 C ATOM 307 CD GLU A 24 6.517 -8.897 -1.619 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.058 -9.250 -0.550 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.146 -8.743 -2.687 1.00 0.00 O ATOM 0 H GLU A 24 3.085 -8.209 0.979 1.00 0.00 H new ATOM 0 HA GLU A 24 5.964 -7.592 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.594 -7.130 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.208 -6.520 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.518 -9.461 -1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.658 -8.641 -2.646 1.00 0.00 H new ATOM 316 N SER A 25 5.403 -4.926 0.496 1.00 0.00 N ATOM 317 CA SER A 25 5.294 -3.536 0.923 1.00 0.00 C ATOM 318 C SER A 25 4.534 -2.709 -0.109 1.00 0.00 C ATOM 319 O SER A 25 4.913 -2.654 -1.278 1.00 0.00 O ATOM 320 CB SER A 25 6.685 -2.939 1.147 1.00 0.00 C ATOM 321 OG SER A 25 7.448 -2.963 -0.047 1.00 0.00 O ATOM 0 H SER A 25 6.039 -5.078 -0.286 1.00 0.00 H new ATOM 0 HA SER A 25 4.740 -3.512 1.862 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.591 -1.913 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.204 -3.499 1.925 1.00 0.00 H new ATOM 0 HG SER A 25 6.846 -2.951 -0.820 1.00 0.00 H new ATOM 327 N ALA A 26 3.457 -2.067 0.334 1.00 0.00 N ATOM 328 CA ALA A 26 2.644 -1.240 -0.549 1.00 0.00 C ATOM 329 C ALA A 26 3.131 0.204 -0.552 1.00 0.00 C ATOM 330 O ALA A 26 3.856 0.629 0.348 1.00 0.00 O ATOM 331 CB ALA A 26 1.181 -1.305 -0.133 1.00 0.00 C ATOM 0 H ALA A 26 3.128 -2.104 1.299 1.00 0.00 H new ATOM 0 HA ALA A 26 2.741 -1.630 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.585 -0.683 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.832 -2.336 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.077 -0.943 0.890 1.00 0.00 H new ATOM 337 N THR A 27 2.729 0.957 -1.572 1.00 0.00 N ATOM 338 CA THR A 27 3.127 2.354 -1.694 1.00 0.00 C ATOM 339 C THR A 27 1.942 3.232 -2.080 1.00 0.00 C ATOM 340 O THR A 27 1.497 3.221 -3.228 1.00 0.00 O ATOM 341 CB THR A 27 4.244 2.531 -2.739 1.00 0.00 C ATOM 342 OG1 THR A 27 5.283 1.573 -2.512 1.00 0.00 O ATOM 343 CG2 THR A 27 4.823 3.937 -2.680 1.00 0.00 C ATOM 0 H THR A 27 2.128 0.622 -2.325 1.00 0.00 H new ATOM 0 HA THR A 27 3.501 2.662 -0.718 1.00 0.00 H new ATOM 0 HB THR A 27 3.814 2.373 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.989 1.691 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.610 4.038 -3.427 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.036 4.663 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.238 4.118 -1.689 1.00 0.00 H new ATOM 351 N LEU A 28 1.434 3.991 -1.115 1.00 0.00 N ATOM 352 CA LEU A 28 0.300 4.876 -1.355 1.00 0.00 C ATOM 353 C LEU A 28 0.771 6.287 -1.692 1.00 0.00 C ATOM 354 O LEU A 28 1.025 7.097 -0.800 1.00 0.00 O ATOM 355 CB LEU A 28 -0.613 4.911 -0.128 1.00 0.00 C ATOM 356 CG LEU A 28 -0.994 3.553 0.464 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.771 3.734 1.759 1.00 0.00 C ATOM 358 CD2 LEU A 28 -1.804 2.743 -0.537 1.00 0.00 C ATOM 0 H LEU A 28 1.790 4.011 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.259 4.487 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.123 5.499 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.529 5.438 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.078 3.006 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.033 2.757 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.157 4.274 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.681 4.301 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.066 1.780 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.714 3.285 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.213 2.582 -1.438 1.00 0.00 H new ATOM 370 N ARG A 29 0.885 6.574 -2.984 1.00 0.00 N ATOM 371 CA ARG A 29 1.325 7.887 -3.439 1.00 0.00 C ATOM 372 C ARG A 29 0.266 8.947 -3.147 1.00 0.00 C ATOM 373 O ARG A 29 -0.907 8.775 -3.477 1.00 0.00 O ATOM 374 CB ARG A 29 1.629 7.856 -4.938 1.00 0.00 C ATOM 375 CG ARG A 29 2.935 7.158 -5.280 1.00 0.00 C ATOM 376 CD ARG A 29 3.567 7.740 -6.534 1.00 0.00 C ATOM 377 NE ARG A 29 2.695 7.607 -7.698 1.00 0.00 N ATOM 378 CZ ARG A 29 3.112 7.760 -8.950 1.00 0.00 C ATOM 379 NH1 ARG A 29 4.382 8.049 -9.199 1.00 0.00 N ATOM 380 NH2 ARG A 29 2.258 7.623 -9.957 1.00 0.00 N ATOM 0 H ARG A 29 0.679 5.915 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 29 2.234 8.146 -2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.812 7.353 -5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.664 8.878 -5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.629 7.252 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.753 6.093 -5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.795 8.793 -6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.513 7.236 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 29 1.712 7.384 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.042 8.154 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.699 8.166 -10.161 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.280 7.400 -9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.579 7.741 -10.918 1.00 0.00 H new ATOM 394 N CYS A 30 0.689 10.042 -2.524 1.00 0.00 N ATOM 395 CA CYS A 30 -0.221 11.130 -2.186 1.00 0.00 C ATOM 396 C CYS A 30 0.532 12.451 -2.062 1.00 0.00 C ATOM 397 O CYS A 30 1.658 12.492 -1.566 1.00 0.00 O ATOM 398 CB CYS A 30 -0.951 10.822 -0.877 1.00 0.00 C ATOM 399 SG CYS A 30 -2.208 12.059 -0.419 1.00 0.00 S ATOM 0 H CYS A 30 1.657 10.199 -2.243 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.951 11.223 -2.990 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.430 9.847 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.218 10.749 -0.073 1.00 0.00 H new ATOM 404 N ALA A 31 -0.097 13.529 -2.517 1.00 0.00 N ATOM 405 CA ALA A 31 0.512 14.852 -2.456 1.00 0.00 C ATOM 406 C ALA A 31 -0.548 15.947 -2.513 1.00 0.00 C ATOM 407 O ALA A 31 -1.638 15.742 -3.044 1.00 0.00 O ATOM 408 CB ALA A 31 1.514 15.025 -3.588 1.00 0.00 C ATOM 0 H ALA A 31 -1.029 13.512 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 31 1.037 14.940 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.961 16.018 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.295 14.270 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.005 14.912 -4.545 1.00 0.00 H new ATOM 414 N MET A 32 -0.220 17.111 -1.961 1.00 0.00 N ATOM 415 CA MET A 32 -1.144 18.239 -1.949 1.00 0.00 C ATOM 416 C MET A 32 -0.674 19.337 -2.898 1.00 0.00 C ATOM 417 O MET A 32 0.521 19.475 -3.161 1.00 0.00 O ATOM 418 CB MET A 32 -1.282 18.798 -0.532 1.00 0.00 C ATOM 419 CG MET A 32 -1.751 17.770 0.484 1.00 0.00 C ATOM 420 SD MET A 32 -3.252 16.915 -0.033 1.00 0.00 S ATOM 421 CE MET A 32 -2.997 15.305 0.708 1.00 0.00 C ATOM 0 H MET A 32 0.679 17.297 -1.516 1.00 0.00 H new ATOM 0 HA MET A 32 -2.117 17.883 -2.287 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.320 19.199 -0.213 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.986 19.630 -0.546 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.959 17.039 0.647 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.930 18.264 1.439 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.654 14.577 0.231 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.959 15.002 0.571 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.223 15.355 1.773 1.00 0.00 H new ATOM 431 N THR A 33 -1.621 20.116 -3.411 1.00 0.00 N ATOM 432 CA THR A 33 -1.304 21.200 -4.331 1.00 0.00 C ATOM 433 C THR A 33 -0.886 22.457 -3.577 1.00 0.00 C ATOM 434 O THR A 33 -0.550 23.474 -4.184 1.00 0.00 O ATOM 435 CB THR A 33 -2.502 21.535 -5.240 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.479 22.282 -4.506 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.135 20.266 -5.790 1.00 0.00 C ATOM 0 H THR A 33 -2.615 20.016 -3.204 1.00 0.00 H new ATOM 0 HA THR A 33 -0.474 20.857 -4.948 1.00 0.00 H new ATOM 0 HB THR A 33 -2.140 22.133 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.219 22.526 -5.101 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.979 20.528 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.397 19.714 -6.372 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.484 19.646 -4.964 1.00 0.00 H new ATOM 445 N SER A 34 -0.908 22.381 -2.250 1.00 0.00 N ATOM 446 CA SER A 34 -0.534 23.514 -1.413 1.00 0.00 C ATOM 447 C SER A 34 -0.493 23.113 0.058 1.00 0.00 C ATOM 448 O SER A 34 -0.949 22.031 0.432 1.00 0.00 O ATOM 449 CB SER A 34 -1.518 24.669 -1.611 1.00 0.00 C ATOM 450 OG SER A 34 -0.917 25.912 -1.293 1.00 0.00 O ATOM 0 H SER A 34 -1.181 21.546 -1.732 1.00 0.00 H new ATOM 0 HA SER A 34 0.463 23.840 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.864 24.683 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.396 24.515 -0.983 1.00 0.00 H new ATOM 0 HG SER A 34 -1.566 26.634 -1.429 1.00 0.00 H new ATOM 456 N LEU A 35 0.056 23.992 0.890 1.00 0.00 N ATOM 457 CA LEU A 35 0.157 23.730 2.321 1.00 0.00 C ATOM 458 C LEU A 35 -0.822 24.600 3.104 1.00 0.00 C ATOM 459 O LEU A 35 -0.915 24.499 4.328 1.00 0.00 O ATOM 460 CB LEU A 35 1.585 23.986 2.807 1.00 0.00 C ATOM 461 CG LEU A 35 2.704 23.476 1.898 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.948 24.338 2.049 1.00 0.00 C ATOM 463 CD2 LEU A 35 3.021 22.020 2.208 1.00 0.00 C ATOM 0 H LEU A 35 0.438 24.892 0.598 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.097 22.684 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.715 25.060 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.702 23.525 3.788 1.00 0.00 H new ATOM 0 HG LEU A 35 2.365 23.541 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.734 23.960 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.713 25.367 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.290 24.305 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.819 21.674 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.340 21.930 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.131 21.412 2.048 1.00 0.00 H new ATOM 475 N ILE A 36 -1.550 25.452 2.390 1.00 0.00 N ATOM 476 CA ILE A 36 -2.524 26.336 3.017 1.00 0.00 C ATOM 477 C ILE A 36 -3.932 26.057 2.502 1.00 0.00 C ATOM 478 O ILE A 36 -4.157 25.875 1.305 1.00 0.00 O ATOM 479 CB ILE A 36 -2.182 27.817 2.769 1.00 0.00 C ATOM 480 CG1 ILE A 36 -0.790 28.140 3.315 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.230 28.717 3.407 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.555 27.622 4.716 1.00 0.00 C ATOM 0 H ILE A 36 -1.483 25.549 1.377 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.486 26.138 4.088 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.181 27.999 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.040 27.715 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.647 29.221 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.974 29.760 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.207 28.501 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.261 28.535 4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.452 27.888 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.282 28.067 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.665 26.538 4.726 1.00 0.00 H new ATOM 494 N PRO A 37 -4.904 26.025 3.425 1.00 0.00 N ATOM 495 CA PRO A 37 -4.648 26.239 4.853 1.00 0.00 C ATOM 496 C PRO A 37 -3.876 25.085 5.483 1.00 0.00 C ATOM 497 O PRO A 37 -4.046 23.928 5.099 1.00 0.00 O ATOM 498 CB PRO A 37 -6.053 26.335 5.454 1.00 0.00 C ATOM 499 CG PRO A 37 -6.920 25.572 4.514 1.00 0.00 C ATOM 500 CD PRO A 37 -6.329 25.775 3.147 1.00 0.00 C ATOM 0 HA PRO A 37 -4.033 27.121 5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.085 25.908 6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.377 27.372 5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.943 24.514 4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.948 25.932 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.467 24.898 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.791 26.616 2.630 1.00 0.00 H new ATOM 508 N VAL A 38 -3.028 25.408 6.454 1.00 0.00 N ATOM 509 CA VAL A 38 -2.230 24.397 7.139 1.00 0.00 C ATOM 510 C VAL A 38 -3.091 23.211 7.561 1.00 0.00 C ATOM 511 O VAL A 38 -4.304 23.337 7.722 1.00 0.00 O ATOM 512 CB VAL A 38 -1.534 24.980 8.383 1.00 0.00 C ATOM 513 CG1 VAL A 38 -0.328 24.136 8.766 1.00 0.00 C ATOM 514 CG2 VAL A 38 -1.127 26.425 8.137 1.00 0.00 C ATOM 0 H VAL A 38 -2.876 26.361 6.784 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.472 24.059 6.432 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.239 24.961 9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.150 24.564 9.647 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.651 23.119 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.382 24.120 7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.637 26.821 9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.439 26.471 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.013 27.020 7.916 1.00 0.00 H new ATOM 524 N GLY A 39 -2.453 22.058 7.738 1.00 0.00 N ATOM 525 CA GLY A 39 -3.175 20.865 8.140 1.00 0.00 C ATOM 526 C GLY A 39 -2.354 19.603 7.964 1.00 0.00 C ATOM 527 O GLY A 39 -1.637 19.436 6.978 1.00 0.00 O ATOM 0 H GLY A 39 -1.449 21.929 7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.472 20.959 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.091 20.784 7.554 1.00 0.00 H new ATOM 531 N PRO A 40 -2.453 18.688 8.939 1.00 0.00 N ATOM 532 CA PRO A 40 -1.720 17.419 8.911 1.00 0.00 C ATOM 533 C PRO A 40 -2.240 16.472 7.835 1.00 0.00 C ATOM 534 O PRO A 40 -2.961 16.887 6.926 1.00 0.00 O ATOM 535 CB PRO A 40 -1.969 16.834 10.304 1.00 0.00 C ATOM 536 CG PRO A 40 -3.255 17.442 10.745 1.00 0.00 C ATOM 537 CD PRO A 40 -3.290 18.820 10.144 1.00 0.00 C ATOM 0 HA PRO A 40 -0.665 17.563 8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.036 15.747 10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.158 17.083 10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.104 16.847 10.407 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.312 17.489 11.833 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.307 19.124 9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.892 19.568 10.830 1.00 0.00 H new ATOM 545 N ILE A 41 -1.871 15.200 7.943 1.00 0.00 N ATOM 546 CA ILE A 41 -2.302 14.195 6.980 1.00 0.00 C ATOM 547 C ILE A 41 -2.745 12.916 7.681 1.00 0.00 C ATOM 548 O ILE A 41 -2.054 12.409 8.564 1.00 0.00 O ATOM 549 CB ILE A 41 -1.182 13.857 5.979 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.643 15.135 5.333 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.693 12.895 4.917 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.649 15.835 4.445 1.00 0.00 C ATOM 0 H ILE A 41 -1.274 14.841 8.688 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.146 14.620 6.438 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.367 13.373 6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.323 15.821 6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.241 14.890 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.890 12.666 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.033 11.975 5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.523 13.354 4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.198 16.732 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.951 15.166 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.523 16.112 5.034 1.00 0.00 H new ATOM 564 N MET A 42 -3.902 12.398 7.280 1.00 0.00 N ATOM 565 CA MET A 42 -4.435 11.175 7.869 1.00 0.00 C ATOM 566 C MET A 42 -5.001 10.255 6.791 1.00 0.00 C ATOM 567 O MET A 42 -5.777 10.686 5.939 1.00 0.00 O ATOM 568 CB MET A 42 -5.522 11.508 8.893 1.00 0.00 C ATOM 569 CG MET A 42 -4.975 12.028 10.212 1.00 0.00 C ATOM 570 SD MET A 42 -6.244 12.165 11.485 1.00 0.00 S ATOM 571 CE MET A 42 -5.746 13.681 12.299 1.00 0.00 C ATOM 0 H MET A 42 -4.487 12.806 6.551 1.00 0.00 H new ATOM 0 HA MET A 42 -3.618 10.658 8.372 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.194 12.254 8.468 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.117 10.615 9.083 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.186 11.362 10.561 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.520 13.005 10.052 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.615 14.146 12.765 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.002 13.456 13.063 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.318 14.364 11.565 1.00 0.00 H new ATOM 581 N TRP A 43 -4.607 8.987 6.835 1.00 0.00 N ATOM 582 CA TRP A 43 -5.074 8.007 5.862 1.00 0.00 C ATOM 583 C TRP A 43 -6.223 7.181 6.430 1.00 0.00 C ATOM 584 O TRP A 43 -6.265 6.899 7.628 1.00 0.00 O ATOM 585 CB TRP A 43 -3.927 7.087 5.442 1.00 0.00 C ATOM 586 CG TRP A 43 -2.982 7.722 4.467 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.893 8.490 4.764 1.00 0.00 C ATOM 588 CD2 TRP A 43 -3.045 7.645 3.039 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.274 8.896 3.606 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.961 8.390 2.534 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.910 7.018 2.138 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.722 8.523 1.169 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.671 7.152 0.783 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.585 7.899 0.309 1.00 0.00 C ATOM 0 H TRP A 43 -3.965 8.614 7.534 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.436 8.546 4.987 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.372 6.782 6.329 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.341 6.181 4.998 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.566 8.742 5.762 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.439 9.479 3.553 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.750 6.439 2.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.885 9.098 0.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.333 6.672 0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.425 7.984 -0.756 1.00 0.00 H new ATOM 605 N PHE A 44 -7.154 6.796 5.564 1.00 0.00 N ATOM 606 CA PHE A 44 -8.305 6.003 5.980 1.00 0.00 C ATOM 607 C PHE A 44 -8.780 5.097 4.848 1.00 0.00 C ATOM 608 O PHE A 44 -9.007 5.554 3.727 1.00 0.00 O ATOM 609 CB PHE A 44 -9.446 6.917 6.430 1.00 0.00 C ATOM 610 CG PHE A 44 -9.109 7.749 7.634 1.00 0.00 C ATOM 611 CD1 PHE A 44 -9.251 7.232 8.912 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.649 9.048 7.489 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.941 7.995 10.022 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.337 9.815 8.595 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.485 9.289 9.863 1.00 0.00 C ATOM 0 H PHE A 44 -7.134 7.020 4.569 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.999 5.377 6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.718 7.577 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.322 6.308 6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.608 6.221 9.042 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.533 9.466 6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.055 7.580 11.012 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.978 10.825 8.468 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.245 9.888 10.729 1.00 0.00 H new ATOM 625 N ARG A 45 -8.927 3.811 5.149 1.00 0.00 N ATOM 626 CA ARG A 45 -9.373 2.840 4.156 1.00 0.00 C ATOM 627 C ARG A 45 -10.829 2.449 4.395 1.00 0.00 C ATOM 628 O ARG A 45 -11.162 1.850 5.416 1.00 0.00 O ATOM 629 CB ARG A 45 -8.486 1.595 4.196 1.00 0.00 C ATOM 630 CG ARG A 45 -8.789 0.596 3.091 1.00 0.00 C ATOM 631 CD ARG A 45 -8.463 -0.826 3.520 1.00 0.00 C ATOM 632 NE ARG A 45 -8.952 -1.117 4.865 1.00 0.00 N ATOM 633 CZ ARG A 45 -10.234 -1.310 5.155 1.00 0.00 C ATOM 634 NH1 ARG A 45 -11.151 -1.242 4.200 1.00 0.00 N ATOM 635 NH2 ARG A 45 -10.601 -1.571 6.403 1.00 0.00 N ATOM 0 H ARG A 45 -8.744 3.417 6.072 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.295 3.301 3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.442 1.900 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.607 1.104 5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.842 0.662 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.213 0.850 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.905 -1.528 2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.384 -0.977 3.486 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.272 -1.175 5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.873 -1.041 3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.135 -1.391 4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.899 -1.624 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.586 -1.719 6.625 1.00 0.00 H new ATOM 649 N GLY A 46 -11.692 2.793 3.443 1.00 0.00 N ATOM 650 CA GLY A 46 -13.101 2.470 3.569 1.00 0.00 C ATOM 651 C GLY A 46 -13.955 3.695 3.831 1.00 0.00 C ATOM 652 O GLY A 46 -14.799 3.691 4.727 1.00 0.00 O ATOM 0 H GLY A 46 -11.440 3.289 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.442 1.982 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.236 1.756 4.382 1.00 0.00 H new ATOM 656 N ALA A 47 -13.735 4.746 3.048 1.00 0.00 N ATOM 657 CA ALA A 47 -14.491 5.983 3.200 1.00 0.00 C ATOM 658 C ALA A 47 -15.990 5.708 3.248 1.00 0.00 C ATOM 659 O ALA A 47 -16.496 4.843 2.534 1.00 0.00 O ATOM 660 CB ALA A 47 -14.166 6.944 2.066 1.00 0.00 C ATOM 0 H ALA A 47 -13.040 4.765 2.302 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.201 6.442 4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.738 7.863 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.101 7.175 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.426 6.483 1.113 1.00 0.00 H new ATOM 690 N ARG A 51 -14.570 3.686 7.179 1.00 0.00 N ATOM 691 CA ARG A 51 -13.132 3.815 6.979 1.00 0.00 C ATOM 692 C ARG A 51 -12.375 3.514 8.270 1.00 0.00 C ATOM 693 O ARG A 51 -12.905 3.691 9.366 1.00 0.00 O ATOM 694 CB ARG A 51 -12.787 5.222 6.489 1.00 0.00 C ATOM 695 CG ARG A 51 -12.707 6.252 7.604 1.00 0.00 C ATOM 696 CD ARG A 51 -12.908 7.663 7.074 1.00 0.00 C ATOM 697 NE ARG A 51 -13.317 8.590 8.126 1.00 0.00 N ATOM 698 CZ ARG A 51 -13.855 9.781 7.887 1.00 0.00 C ATOM 699 NH1 ARG A 51 -14.047 10.188 6.640 1.00 0.00 N ATOM 700 NH2 ARG A 51 -14.202 10.568 8.898 1.00 0.00 N ATOM 0 HA ARG A 51 -12.829 3.091 6.223 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.832 5.191 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.537 5.540 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.464 6.034 8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.737 6.182 8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.981 8.015 6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.663 7.651 6.288 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.182 8.308 9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.781 9.586 5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.460 11.103 6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.056 10.258 9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.615 11.482 8.714 1.00 0.00 H new ATOM 714 N GLU A 52 -11.134 3.059 8.130 1.00 0.00 N ATOM 715 CA GLU A 52 -10.306 2.733 9.285 1.00 0.00 C ATOM 716 C GLU A 52 -8.973 3.475 9.226 1.00 0.00 C ATOM 717 O GLU A 52 -8.255 3.405 8.227 1.00 0.00 O ATOM 718 CB GLU A 52 -10.060 1.225 9.355 1.00 0.00 C ATOM 719 CG GLU A 52 -9.269 0.793 10.579 1.00 0.00 C ATOM 720 CD GLU A 52 -8.544 -0.522 10.371 1.00 0.00 C ATOM 721 OE1 GLU A 52 -9.224 -1.550 10.170 1.00 0.00 O ATOM 722 OE2 GLU A 52 -7.296 -0.523 10.408 1.00 0.00 O ATOM 0 H GLU A 52 -10.680 2.908 7.229 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.839 3.049 10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.020 0.708 9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.526 0.911 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.544 1.567 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.945 0.701 11.429 1.00 0.00 H new ATOM 729 N LEU A 53 -8.649 4.184 10.301 1.00 0.00 N ATOM 730 CA LEU A 53 -7.403 4.939 10.372 1.00 0.00 C ATOM 731 C LEU A 53 -6.221 4.083 9.929 1.00 0.00 C ATOM 732 O LEU A 53 -5.952 3.030 10.509 1.00 0.00 O ATOM 733 CB LEU A 53 -7.173 5.448 11.797 1.00 0.00 C ATOM 734 CG LEU A 53 -5.915 6.290 12.013 1.00 0.00 C ATOM 735 CD1 LEU A 53 -5.847 7.420 10.997 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.882 6.843 13.431 1.00 0.00 C ATOM 0 H LEU A 53 -9.232 4.252 11.136 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.484 5.791 9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.038 6.041 12.094 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.130 4.589 12.466 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.044 5.650 11.872 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.945 8.008 11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.824 7.003 9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.723 8.060 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.980 7.440 13.568 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.759 7.468 13.598 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.883 6.018 14.143 1.00 0.00 H new ATOM 748 N ILE A 54 -5.517 4.542 8.900 1.00 0.00 N ATOM 749 CA ILE A 54 -4.362 3.820 8.381 1.00 0.00 C ATOM 750 C ILE A 54 -3.059 4.480 8.819 1.00 0.00 C ATOM 751 O ILE A 54 -2.075 3.801 9.111 1.00 0.00 O ATOM 752 CB ILE A 54 -4.392 3.740 6.844 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.639 2.986 6.375 1.00 0.00 C ATOM 754 CG2 ILE A 54 -3.132 3.065 6.324 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.723 1.571 6.902 1.00 0.00 C ATOM 0 H ILE A 54 -5.726 5.411 8.409 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.411 2.811 8.790 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.430 4.753 6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.526 3.536 6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.650 2.961 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.168 3.016 5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.258 3.639 6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.066 2.056 6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.631 1.097 6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.854 1.005 6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.744 1.589 7.992 1.00 0.00 H new ATOM 767 N TYR A 55 -3.061 5.808 8.865 1.00 0.00 N ATOM 768 CA TYR A 55 -1.879 6.561 9.267 1.00 0.00 C ATOM 769 C TYR A 55 -2.261 7.954 9.758 1.00 0.00 C ATOM 770 O TYR A 55 -3.240 8.540 9.296 1.00 0.00 O ATOM 771 CB TYR A 55 -0.898 6.671 8.099 1.00 0.00 C ATOM 772 CG TYR A 55 0.372 7.417 8.443 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.470 6.751 8.972 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.472 8.788 8.241 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.632 7.428 9.289 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.630 9.473 8.553 1.00 0.00 C ATOM 777 CZ TYR A 55 2.707 8.789 9.077 1.00 0.00 C ATOM 778 OH TYR A 55 3.862 9.469 9.391 1.00 0.00 O ATOM 0 H TYR A 55 -3.868 6.385 8.629 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.400 6.026 10.087 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.639 5.669 7.757 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.391 7.174 7.267 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.415 5.685 9.138 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.370 9.327 7.833 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.476 6.895 9.700 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.692 10.538 8.388 1.00 0.00 H new ATOM 0 HH TYR A 55 3.750 10.419 9.180 1.00 0.00 H new ATOM 788 N ASN A 56 -1.481 8.477 10.698 1.00 0.00 N ATOM 789 CA ASN A 56 -1.736 9.802 11.253 1.00 0.00 C ATOM 790 C ASN A 56 -0.428 10.536 11.530 1.00 0.00 C ATOM 791 O ASN A 56 0.403 10.070 12.309 1.00 0.00 O ATOM 792 CB ASN A 56 -2.554 9.688 12.541 1.00 0.00 C ATOM 793 CG ASN A 56 -2.646 11.007 13.285 1.00 0.00 C ATOM 794 OD1 ASN A 56 -2.648 11.039 14.516 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.723 12.103 12.539 1.00 0.00 N ATOM 0 H ASN A 56 -0.667 8.004 11.092 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.304 10.374 10.519 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.558 9.338 12.301 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.102 8.938 13.190 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.787 13.019 12.983 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.718 12.029 11.522 1.00 0.00 H new ATOM 802 N GLN A 57 -0.255 11.687 10.888 1.00 0.00 N ATOM 803 CA GLN A 57 0.952 12.486 11.066 1.00 0.00 C ATOM 804 C GLN A 57 1.081 12.962 12.510 1.00 0.00 C ATOM 805 O GLN A 57 2.105 12.743 13.158 1.00 0.00 O ATOM 806 CB GLN A 57 0.938 13.688 10.120 1.00 0.00 C ATOM 807 CG GLN A 57 2.189 14.546 10.208 1.00 0.00 C ATOM 808 CD GLN A 57 2.133 15.754 9.293 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.196 16.550 9.353 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.140 15.898 8.440 1.00 0.00 N ATOM 0 H GLN A 57 -0.934 12.087 10.241 1.00 0.00 H new ATOM 0 HA GLN A 57 1.811 11.858 10.831 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.823 13.333 9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.068 14.305 10.343 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.324 14.880 11.237 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.059 13.941 9.952 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.897 15.214 8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.157 16.693 7.801 1.00 0.00 H new ATOM 819 N LYS A 58 0.037 13.616 13.008 1.00 0.00 N ATOM 820 CA LYS A 58 0.033 14.123 14.375 1.00 0.00 C ATOM 821 C LYS A 58 0.592 13.085 15.342 1.00 0.00 C ATOM 822 O LYS A 58 1.600 13.323 16.006 1.00 0.00 O ATOM 823 CB LYS A 58 -1.388 14.512 14.792 1.00 0.00 C ATOM 824 CG LYS A 58 -1.490 14.991 16.229 1.00 0.00 C ATOM 825 CD LYS A 58 -2.626 15.984 16.407 1.00 0.00 C ATOM 826 CE LYS A 58 -2.178 17.404 16.097 1.00 0.00 C ATOM 827 NZ LYS A 58 -3.330 18.344 16.017 1.00 0.00 N ATOM 0 H LYS A 58 -0.818 13.807 12.485 1.00 0.00 H new ATOM 0 HA LYS A 58 0.670 15.006 14.410 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.750 15.298 14.129 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.045 13.653 14.657 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.646 14.137 16.888 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.550 15.455 16.526 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.455 15.712 15.753 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.998 15.934 17.430 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.486 17.743 16.868 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.634 17.415 15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.983 19.301 15.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.978 18.035 15.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.835 18.353 16.926 1.00 0.00 H new ATOM 841 N GLU A 59 -0.069 11.934 15.415 1.00 0.00 N ATOM 842 CA GLU A 59 0.364 10.860 16.301 1.00 0.00 C ATOM 843 C GLU A 59 0.157 9.497 15.646 1.00 0.00 C ATOM 844 O GLU A 59 -0.365 9.403 14.536 1.00 0.00 O ATOM 845 CB GLU A 59 -0.399 10.923 17.626 1.00 0.00 C ATOM 846 CG GLU A 59 -1.899 10.731 17.474 1.00 0.00 C ATOM 847 CD GLU A 59 -2.607 10.588 18.807 1.00 0.00 C ATOM 848 OE1 GLU A 59 -2.296 9.627 19.543 1.00 0.00 O ATOM 849 OE2 GLU A 59 -3.470 11.435 19.115 1.00 0.00 O ATOM 0 H GLU A 59 -0.906 11.722 14.872 1.00 0.00 H new ATOM 0 HA GLU A 59 1.428 10.992 16.496 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.009 10.157 18.297 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.211 11.887 18.099 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.317 11.580 16.934 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.089 9.844 16.869 1.00 0.00 H new ATOM 856 N GLY A 60 0.571 8.443 16.343 1.00 0.00 N ATOM 857 CA GLY A 60 0.423 7.100 15.814 1.00 0.00 C ATOM 858 C GLY A 60 1.742 6.357 15.742 1.00 0.00 C ATOM 859 O GLY A 60 1.800 5.154 15.997 1.00 0.00 O ATOM 0 H GLY A 60 1.006 8.495 17.264 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.272 6.541 16.440 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.016 7.152 14.818 1.00 0.00 H new ATOM 863 N HIS A 61 2.805 7.074 15.391 1.00 0.00 N ATOM 864 CA HIS A 61 4.131 6.475 15.285 1.00 0.00 C ATOM 865 C HIS A 61 4.037 5.035 14.788 1.00 0.00 C ATOM 866 O HIS A 61 4.557 4.115 15.420 1.00 0.00 O ATOM 867 CB HIS A 61 4.842 6.515 16.637 1.00 0.00 C ATOM 868 CG HIS A 61 6.139 5.767 16.654 1.00 0.00 C ATOM 869 ND1 HIS A 61 6.274 4.506 17.196 1.00 0.00 N ATOM 870 CD2 HIS A 61 7.364 6.108 16.190 1.00 0.00 C ATOM 871 CE1 HIS A 61 7.526 4.105 17.066 1.00 0.00 C ATOM 872 NE2 HIS A 61 8.208 5.059 16.458 1.00 0.00 N ATOM 0 H HIS A 61 2.774 8.070 15.175 1.00 0.00 H new ATOM 0 HA HIS A 61 4.708 7.054 14.564 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.028 7.554 16.910 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.182 6.099 17.398 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.628 7.033 15.700 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.924 3.158 17.400 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.200 5.022 16.225 1.00 0.00 H new ATOM 881 N PHE A 62 3.372 4.847 13.653 1.00 0.00 N ATOM 882 CA PHE A 62 3.209 3.520 13.073 1.00 0.00 C ATOM 883 C PHE A 62 4.544 2.978 12.572 1.00 0.00 C ATOM 884 O PHE A 62 5.156 3.518 11.650 1.00 0.00 O ATOM 885 CB PHE A 62 2.199 3.562 11.924 1.00 0.00 C ATOM 886 CG PHE A 62 0.789 3.818 12.374 1.00 0.00 C ATOM 887 CD1 PHE A 62 0.329 5.113 12.552 1.00 0.00 C ATOM 888 CD2 PHE A 62 -0.076 2.764 12.620 1.00 0.00 C ATOM 889 CE1 PHE A 62 -0.968 5.352 12.966 1.00 0.00 C ATOM 890 CE2 PHE A 62 -1.374 2.997 13.033 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.820 4.293 13.207 1.00 0.00 C ATOM 0 H PHE A 62 2.937 5.598 13.117 1.00 0.00 H new ATOM 0 HA PHE A 62 2.835 2.854 13.851 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.494 4.340 11.220 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.234 2.615 11.386 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.992 5.945 12.365 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.268 1.749 12.487 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.314 6.366 13.101 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.039 2.167 13.220 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.834 4.477 13.531 1.00 0.00 H new ATOM 901 N PRO A 63 5.009 1.884 13.193 1.00 0.00 N ATOM 902 CA PRO A 63 6.276 1.244 12.828 1.00 0.00 C ATOM 903 C PRO A 63 6.210 0.561 11.466 1.00 0.00 C ATOM 904 O PRO A 63 7.183 0.564 10.712 1.00 0.00 O ATOM 905 CB PRO A 63 6.483 0.208 13.936 1.00 0.00 C ATOM 906 CG PRO A 63 5.111 -0.093 14.434 1.00 0.00 C ATOM 907 CD PRO A 63 4.333 1.187 14.300 1.00 0.00 C ATOM 0 HA PRO A 63 7.088 1.967 12.744 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.971 -0.689 13.554 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.116 0.601 14.732 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.651 -0.892 13.853 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.137 -0.428 15.471 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.284 0.997 14.074 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.361 1.772 15.219 1.00 0.00 H new ATOM 915 N ARG A 64 5.056 -0.022 11.157 1.00 0.00 N ATOM 916 CA ARG A 64 4.863 -0.709 9.886 1.00 0.00 C ATOM 917 C ARG A 64 4.915 0.277 8.722 1.00 0.00 C ATOM 918 O ARG A 64 5.419 -0.043 7.646 1.00 0.00 O ATOM 919 CB ARG A 64 3.526 -1.452 9.881 1.00 0.00 C ATOM 920 CG ARG A 64 3.463 -2.600 10.874 1.00 0.00 C ATOM 921 CD ARG A 64 2.089 -3.250 10.888 1.00 0.00 C ATOM 922 NE ARG A 64 1.700 -3.736 9.567 1.00 0.00 N ATOM 923 CZ ARG A 64 0.665 -4.543 9.356 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.079 -4.952 10.374 1.00 0.00 N ATOM 925 NH2 ARG A 64 0.374 -4.942 8.124 1.00 0.00 N ATOM 0 H ARG A 64 4.241 -0.032 11.770 1.00 0.00 H new ATOM 0 HA ARG A 64 5.671 -1.430 9.765 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.727 -0.745 10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.339 -1.839 8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.216 -3.345 10.619 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.703 -2.233 11.872 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.088 -4.080 11.594 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.351 -2.530 11.241 1.00 0.00 H new ATOM 0 HE ARG A 64 2.253 -3.440 8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.142 -4.647 11.322 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.873 -5.571 10.209 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.945 -4.629 7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.420 -5.561 7.963 1.00 0.00 H new ATOM 939 N VAL A 65 4.388 1.477 8.946 1.00 0.00 N ATOM 940 CA VAL A 65 4.374 2.509 7.917 1.00 0.00 C ATOM 941 C VAL A 65 5.717 3.228 7.841 1.00 0.00 C ATOM 942 O VAL A 65 6.235 3.708 8.850 1.00 0.00 O ATOM 943 CB VAL A 65 3.264 3.545 8.176 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.209 4.563 7.047 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.920 2.853 8.347 1.00 0.00 C ATOM 0 H VAL A 65 3.965 1.758 9.831 1.00 0.00 H new ATOM 0 HA VAL A 65 4.179 2.008 6.969 1.00 0.00 H new ATOM 0 HB VAL A 65 3.494 4.076 9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.419 5.287 7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.166 5.081 6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.003 4.052 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.147 3.600 8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.680 2.296 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.969 2.167 9.193 1.00 0.00 H new ATOM 955 N THR A 66 6.277 3.299 6.637 1.00 0.00 N ATOM 956 CA THR A 66 7.560 3.958 6.429 1.00 0.00 C ATOM 957 C THR A 66 7.430 5.114 5.444 1.00 0.00 C ATOM 958 O THR A 66 7.388 4.909 4.230 1.00 0.00 O ATOM 959 CB THR A 66 8.620 2.971 5.907 1.00 0.00 C ATOM 960 OG1 THR A 66 8.872 1.958 6.888 1.00 0.00 O ATOM 961 CG2 THR A 66 9.916 3.694 5.574 1.00 0.00 C ATOM 0 H THR A 66 5.862 2.908 5.791 1.00 0.00 H new ATOM 0 HA THR A 66 7.879 4.343 7.398 1.00 0.00 H new ATOM 0 HB THR A 66 8.236 2.509 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.546 1.333 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.649 2.976 5.207 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.727 4.444 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.302 4.181 6.470 1.00 0.00 H new ATOM 969 N THR A 67 7.367 6.332 5.973 1.00 0.00 N ATOM 970 CA THR A 67 7.241 7.522 5.140 1.00 0.00 C ATOM 971 C THR A 67 8.344 7.576 4.089 1.00 0.00 C ATOM 972 O THR A 67 9.528 7.480 4.411 1.00 0.00 O ATOM 973 CB THR A 67 7.291 8.808 5.986 1.00 0.00 C ATOM 974 OG1 THR A 67 8.454 8.799 6.822 1.00 0.00 O ATOM 975 CG2 THR A 67 6.043 8.939 6.845 1.00 0.00 C ATOM 0 H THR A 67 7.401 6.520 6.975 1.00 0.00 H new ATOM 0 HA THR A 67 6.272 7.460 4.644 1.00 0.00 H new ATOM 0 HB THR A 67 7.338 9.661 5.309 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.205 8.404 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.101 9.855 7.434 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.162 8.975 6.204 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.970 8.082 7.514 1.00 0.00 H new ATOM 983 N VAL A 68 7.948 7.730 2.829 1.00 0.00 N ATOM 984 CA VAL A 68 8.903 7.798 1.730 1.00 0.00 C ATOM 985 C VAL A 68 9.732 9.076 1.801 1.00 0.00 C ATOM 986 O VAL A 68 10.952 9.047 1.637 1.00 0.00 O ATOM 987 CB VAL A 68 8.193 7.735 0.365 1.00 0.00 C ATOM 988 CG1 VAL A 68 9.199 7.878 -0.767 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.410 6.438 0.231 1.00 0.00 C ATOM 0 H VAL A 68 6.972 7.810 2.545 1.00 0.00 H new ATOM 0 HA VAL A 68 9.562 6.935 1.829 1.00 0.00 H new ATOM 0 HB VAL A 68 7.490 8.566 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.679 7.831 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.712 8.836 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.928 7.070 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.915 6.411 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.091 5.591 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.662 6.381 1.022 1.00 0.00 H new ATOM 999 N SER A 69 9.061 10.197 2.047 1.00 0.00 N ATOM 1000 CA SER A 69 9.735 11.487 2.137 1.00 0.00 C ATOM 1001 C SER A 69 9.687 12.027 3.563 1.00 0.00 C ATOM 1002 O SER A 69 8.760 11.734 4.317 1.00 0.00 O ATOM 1003 CB SER A 69 9.092 12.490 1.177 1.00 0.00 C ATOM 1004 OG SER A 69 7.721 12.679 1.481 1.00 0.00 O ATOM 0 H SER A 69 8.052 10.238 2.187 1.00 0.00 H new ATOM 0 HA SER A 69 10.779 11.344 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.616 13.444 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.195 12.134 0.152 1.00 0.00 H new ATOM 0 HG SER A 69 7.460 13.597 1.257 1.00 0.00 H new ATOM 1010 N GLU A 70 10.693 12.817 3.924 1.00 0.00 N ATOM 1011 CA GLU A 70 10.766 13.398 5.260 1.00 0.00 C ATOM 1012 C GLU A 70 9.690 14.464 5.449 1.00 0.00 C ATOM 1013 O GLU A 70 9.512 15.340 4.602 1.00 0.00 O ATOM 1014 CB GLU A 70 12.149 14.005 5.501 1.00 0.00 C ATOM 1015 CG GLU A 70 12.382 14.438 6.939 1.00 0.00 C ATOM 1016 CD GLU A 70 12.833 13.294 7.827 1.00 0.00 C ATOM 1017 OE1 GLU A 70 13.798 12.596 7.451 1.00 0.00 O ATOM 1018 OE2 GLU A 70 12.221 13.098 8.898 1.00 0.00 O ATOM 0 H GLU A 70 11.468 13.069 3.311 1.00 0.00 H new ATOM 0 HA GLU A 70 10.595 12.602 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.910 13.276 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.278 14.867 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.134 15.227 6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.462 14.863 7.340 1.00 0.00 H new ATOM 1025 N LEU A 71 8.975 14.382 6.566 1.00 0.00 N ATOM 1026 CA LEU A 71 7.916 15.339 6.868 1.00 0.00 C ATOM 1027 C LEU A 71 8.436 16.464 7.757 1.00 0.00 C ATOM 1028 O LEU A 71 8.093 17.631 7.566 1.00 0.00 O ATOM 1029 CB LEU A 71 6.744 14.633 7.552 1.00 0.00 C ATOM 1030 CG LEU A 71 6.259 13.343 6.890 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.297 12.602 7.805 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.599 13.645 5.552 1.00 0.00 C ATOM 0 H LEU A 71 9.109 13.663 7.277 1.00 0.00 H new ATOM 0 HA LEU A 71 7.573 15.773 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.032 14.405 8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.906 15.329 7.603 1.00 0.00 H new ATOM 0 HG LEU A 71 7.123 12.703 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.963 11.687 7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.802 12.352 8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.436 13.236 8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.260 12.715 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.746 14.305 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.318 14.132 4.893 1.00 0.00 H new ATOM 1118 N ASN A 76 7.117 20.856 2.678 1.00 0.00 N ATOM 1119 CA ASN A 76 6.930 19.508 2.154 1.00 0.00 C ATOM 1120 C ASN A 76 5.504 19.315 1.645 1.00 0.00 C ATOM 1121 O ASN A 76 4.540 19.700 2.307 1.00 0.00 O ATOM 1122 CB ASN A 76 7.242 18.471 3.235 1.00 0.00 C ATOM 1123 CG ASN A 76 7.300 17.059 2.682 1.00 0.00 C ATOM 1124 OD1 ASN A 76 8.175 16.730 1.881 1.00 0.00 O ATOM 1125 ND2 ASN A 76 6.365 16.219 3.109 1.00 0.00 N ATOM 0 HA ASN A 76 7.617 19.371 1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.196 18.714 3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.482 18.522 4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.352 15.256 2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.659 16.536 3.774 1.00 0.00 H new ATOM 1132 N LEU A 77 5.379 18.715 0.467 1.00 0.00 N ATOM 1133 CA LEU A 77 4.071 18.469 -0.132 1.00 0.00 C ATOM 1134 C LEU A 77 3.826 16.974 -0.309 1.00 0.00 C ATOM 1135 O LEU A 77 2.683 16.516 -0.290 1.00 0.00 O ATOM 1136 CB LEU A 77 3.965 19.179 -1.483 1.00 0.00 C ATOM 1137 CG LEU A 77 3.604 20.664 -1.435 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.781 21.301 -2.804 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.177 20.849 -0.939 1.00 0.00 C ATOM 0 H LEU A 77 6.167 18.390 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 77 3.310 18.866 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.918 19.074 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.216 18.663 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 77 4.278 21.160 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.519 22.358 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.819 21.200 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.132 20.803 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.936 21.912 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.489 20.339 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.083 20.429 0.062 1.00 0.00 H new ATOM 1151 N ASP A 78 4.905 16.219 -0.479 1.00 0.00 N ATOM 1152 CA ASP A 78 4.808 14.775 -0.656 1.00 0.00 C ATOM 1153 C ASP A 78 4.409 14.093 0.649 1.00 0.00 C ATOM 1154 O ASP A 78 5.063 14.266 1.677 1.00 0.00 O ATOM 1155 CB ASP A 78 6.138 14.210 -1.155 1.00 0.00 C ATOM 1156 CG ASP A 78 6.196 14.113 -2.667 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.973 15.144 -3.336 1.00 0.00 O ATOM 1158 OD2 ASP A 78 6.465 13.008 -3.181 1.00 0.00 O ATOM 0 H ASP A 78 5.858 16.583 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 78 4.036 14.576 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.953 14.843 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.294 13.221 -0.724 1.00 0.00 H new ATOM 1163 N PHE A 79 3.330 13.318 0.600 1.00 0.00 N ATOM 1164 CA PHE A 79 2.842 12.612 1.779 1.00 0.00 C ATOM 1165 C PHE A 79 2.568 11.145 1.460 1.00 0.00 C ATOM 1166 O PHE A 79 1.575 10.576 1.911 1.00 0.00 O ATOM 1167 CB PHE A 79 1.570 13.277 2.308 1.00 0.00 C ATOM 1168 CG PHE A 79 1.799 14.654 2.863 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.467 14.829 4.064 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.348 15.773 2.182 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.679 16.095 4.577 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.557 17.042 2.690 1.00 0.00 C ATOM 1173 CZ PHE A 79 2.224 17.202 3.888 1.00 0.00 C ATOM 0 H PHE A 79 2.777 13.163 -0.243 1.00 0.00 H new ATOM 0 HA PHE A 79 3.615 12.660 2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.838 13.336 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.137 12.648 3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.826 13.966 4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.827 15.653 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.200 16.218 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 79 1.199 17.906 2.150 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.390 18.192 4.286 1.00 0.00 H new ATOM 1183 N SER A 80 3.456 10.540 0.677 1.00 0.00 N ATOM 1184 CA SER A 80 3.308 9.141 0.292 1.00 0.00 C ATOM 1185 C SER A 80 3.925 8.221 1.342 1.00 0.00 C ATOM 1186 O SER A 80 5.060 8.429 1.774 1.00 0.00 O ATOM 1187 CB SER A 80 3.962 8.893 -1.068 1.00 0.00 C ATOM 1188 OG SER A 80 5.367 9.056 -0.996 1.00 0.00 O ATOM 0 H SER A 80 4.285 10.997 0.297 1.00 0.00 H new ATOM 0 HA SER A 80 2.243 8.919 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.727 7.885 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.550 9.583 -1.804 1.00 0.00 H new ATOM 0 HG SER A 80 5.761 8.890 -1.878 1.00 0.00 H new ATOM 1194 N ILE A 81 3.171 7.206 1.746 1.00 0.00 N ATOM 1195 CA ILE A 81 3.643 6.253 2.743 1.00 0.00 C ATOM 1196 C ILE A 81 3.798 4.860 2.143 1.00 0.00 C ATOM 1197 O ILE A 81 3.322 4.592 1.040 1.00 0.00 O ATOM 1198 CB ILE A 81 2.686 6.178 3.948 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.244 5.997 3.470 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.813 7.428 4.804 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.337 5.372 4.507 1.00 0.00 C ATOM 0 H ILE A 81 2.230 7.022 1.399 1.00 0.00 H new ATOM 0 HA ILE A 81 4.615 6.609 3.084 1.00 0.00 H new ATOM 0 HB ILE A 81 2.958 5.316 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.840 6.968 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.242 5.375 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.131 7.360 5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.836 7.517 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.563 8.305 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.669 5.274 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.717 4.386 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.309 6.004 5.394 1.00 0.00 H new ATOM 1213 N SER A 82 4.466 3.976 2.877 1.00 0.00 N ATOM 1214 CA SER A 82 4.686 2.610 2.417 1.00 0.00 C ATOM 1215 C SER A 82 4.504 1.616 3.559 1.00 0.00 C ATOM 1216 O SER A 82 5.320 1.556 4.480 1.00 0.00 O ATOM 1217 CB SER A 82 6.088 2.470 1.821 1.00 0.00 C ATOM 1218 OG SER A 82 6.189 3.156 0.586 1.00 0.00 O ATOM 0 H SER A 82 4.864 4.182 3.793 1.00 0.00 H new ATOM 0 HA SER A 82 3.948 2.389 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.825 2.864 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.320 1.415 1.674 1.00 0.00 H new ATOM 0 HG SER A 82 7.095 3.052 0.227 1.00 0.00 H new ATOM 1224 N ILE A 83 3.429 0.838 3.493 1.00 0.00 N ATOM 1225 CA ILE A 83 3.140 -0.155 4.520 1.00 0.00 C ATOM 1226 C ILE A 83 3.759 -1.504 4.171 1.00 0.00 C ATOM 1227 O ILE A 83 3.558 -2.026 3.074 1.00 0.00 O ATOM 1228 CB ILE A 83 1.623 -0.335 4.719 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.950 1.023 4.929 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.349 -1.256 5.898 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.559 0.969 4.846 1.00 0.00 C ATOM 0 H ILE A 83 2.743 0.876 2.739 1.00 0.00 H new ATOM 0 HA ILE A 83 3.579 0.214 5.447 1.00 0.00 H new ATOM 0 HB ILE A 83 1.205 -0.792 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.238 1.415 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.322 1.723 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.273 -1.373 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.801 -2.230 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.777 -0.825 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.968 1.967 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.857 0.607 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.942 0.294 5.612 1.00 0.00 H new ATOM 1243 N SER A 84 4.512 -2.065 5.112 1.00 0.00 N ATOM 1244 CA SER A 84 5.162 -3.354 4.904 1.00 0.00 C ATOM 1245 C SER A 84 4.325 -4.486 5.491 1.00 0.00 C ATOM 1246 O SER A 84 3.456 -4.258 6.331 1.00 0.00 O ATOM 1247 CB SER A 84 6.556 -3.353 5.535 1.00 0.00 C ATOM 1248 OG SER A 84 7.435 -2.494 4.830 1.00 0.00 O ATOM 0 H SER A 84 4.687 -1.647 6.026 1.00 0.00 H new ATOM 0 HA SER A 84 5.257 -3.517 3.830 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.487 -3.034 6.575 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.958 -4.366 5.538 1.00 0.00 H new ATOM 0 HG SER A 84 8.318 -2.510 5.254 1.00 0.00 H new ATOM 1254 N ASN A 85 4.595 -5.707 5.042 1.00 0.00 N ATOM 1255 CA ASN A 85 3.868 -6.876 5.522 1.00 0.00 C ATOM 1256 C ASN A 85 2.384 -6.770 5.183 1.00 0.00 C ATOM 1257 O ASN A 85 1.525 -6.949 6.048 1.00 0.00 O ATOM 1258 CB ASN A 85 4.048 -7.030 7.034 1.00 0.00 C ATOM 1259 CG ASN A 85 3.956 -8.475 7.483 1.00 0.00 C ATOM 1260 OD1 ASN A 85 4.880 -9.262 7.273 1.00 0.00 O ATOM 1261 ND2 ASN A 85 2.838 -8.832 8.105 1.00 0.00 N ATOM 0 H ASN A 85 5.312 -5.913 4.346 1.00 0.00 H new ATOM 0 HA ASN A 85 4.275 -7.756 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.016 -6.623 7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.288 -6.443 7.549 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.719 -9.792 8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.098 -8.147 8.258 1.00 0.00 H new ATOM 1268 N ILE A 86 2.090 -6.480 3.921 1.00 0.00 N ATOM 1269 CA ILE A 86 0.711 -6.352 3.468 1.00 0.00 C ATOM 1270 C ILE A 86 -0.065 -7.645 3.696 1.00 0.00 C ATOM 1271 O ILE A 86 0.495 -8.739 3.623 1.00 0.00 O ATOM 1272 CB ILE A 86 0.640 -5.981 1.974 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.037 -4.517 1.771 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.757 -6.238 1.430 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.058 -3.536 2.379 1.00 0.00 C ATOM 0 H ILE A 86 2.789 -6.329 3.193 1.00 0.00 H new ATOM 0 HA ILE A 86 0.260 -5.552 4.054 1.00 0.00 H new ATOM 0 HB ILE A 86 1.343 -6.608 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.022 -4.352 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.124 -4.317 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.791 -5.971 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.004 -7.293 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.479 -5.634 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.403 -2.518 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.924 -3.673 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.011 -3.709 3.453 1.00 0.00 H new ATOM 1287 N THR A 87 -1.359 -7.512 3.971 1.00 0.00 N ATOM 1288 CA THR A 87 -2.212 -8.669 4.209 1.00 0.00 C ATOM 1289 C THR A 87 -3.440 -8.642 3.305 1.00 0.00 C ATOM 1290 O THR A 87 -3.902 -7.584 2.876 1.00 0.00 O ATOM 1291 CB THR A 87 -2.672 -8.735 5.678 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.260 -7.488 6.064 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.503 -9.056 6.597 1.00 0.00 C ATOM 0 H THR A 87 -1.839 -6.614 4.034 1.00 0.00 H new ATOM 0 HA THR A 87 -1.616 -9.553 3.982 1.00 0.00 H new ATOM 0 HB THR A 87 -3.413 -9.529 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.553 -6.852 6.299 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.852 -9.097 7.629 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.076 -10.020 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.742 -8.281 6.502 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.983 -9.832 3.008 1.00 0.00 N ATOM 1302 CA PRO A 88 -5.165 -9.971 2.153 1.00 0.00 C ATOM 1303 C PRO A 88 -6.431 -9.451 2.825 1.00 0.00 C ATOM 1304 O PRO A 88 -7.505 -9.438 2.223 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.263 -11.481 1.925 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.583 -12.087 3.104 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.485 -11.133 3.484 1.00 0.00 C ATOM 0 HA PRO A 88 -5.073 -9.392 1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.302 -11.805 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.777 -11.773 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.282 -12.226 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.179 -13.069 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.312 -11.128 4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.540 -11.399 3.011 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.298 -9.022 4.076 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.431 -8.499 4.829 1.00 0.00 C ATOM 1317 C ALA A 89 -7.348 -6.982 4.962 1.00 0.00 C ATOM 1318 O ALA A 89 -8.292 -6.337 5.420 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.497 -9.149 6.203 1.00 0.00 C ATOM 0 H ALA A 89 -5.417 -9.026 4.589 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.342 -8.740 4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.348 -8.749 6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.612 -10.227 6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.578 -8.937 6.750 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.214 -6.419 4.560 1.00 0.00 N ATOM 1326 CA ASP A 90 -6.009 -4.977 4.634 1.00 0.00 C ATOM 1327 C ASP A 90 -6.427 -4.300 3.333 1.00 0.00 C ATOM 1328 O ASP A 90 -6.690 -3.098 3.303 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.542 -4.665 4.937 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.262 -4.586 6.425 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.065 -3.960 7.147 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.239 -5.150 6.867 1.00 0.00 O ATOM 0 H ASP A 90 -5.423 -6.939 4.180 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.631 -4.588 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.911 -5.434 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.271 -3.719 4.468 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.487 -5.081 2.259 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.875 -4.557 0.955 1.00 0.00 C ATOM 1339 C ALA A 91 -8.165 -3.749 1.049 1.00 0.00 C ATOM 1340 O ALA A 91 -8.830 -3.743 2.084 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.033 -5.694 -0.044 1.00 0.00 C ATOM 0 H ALA A 91 -6.272 -6.078 2.266 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.085 -3.890 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.323 -5.289 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.087 -6.227 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.802 -6.382 0.306 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.512 -3.068 -0.039 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.721 -2.265 -0.057 1.00 0.00 C ATOM 1349 C GLY A 92 -9.556 -0.987 -0.854 1.00 0.00 C ATOM 1350 O GLY A 92 -9.454 -1.019 -2.081 1.00 0.00 O ATOM 0 H GLY A 92 -7.978 -3.058 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.536 -2.851 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.004 -2.018 0.966 1.00 0.00 H new ATOM 1354 N THR A 93 -9.530 0.145 -0.156 1.00 0.00 N ATOM 1355 CA THR A 93 -9.379 1.440 -0.806 1.00 0.00 C ATOM 1356 C THR A 93 -8.930 2.505 0.188 1.00 0.00 C ATOM 1357 O THR A 93 -9.699 2.923 1.054 1.00 0.00 O ATOM 1358 CB THR A 93 -10.694 1.893 -1.468 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.251 0.821 -2.236 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.461 3.100 -2.365 1.00 0.00 C ATOM 0 H THR A 93 -9.612 0.190 0.860 1.00 0.00 H new ATOM 0 HA THR A 93 -8.616 1.321 -1.575 1.00 0.00 H new ATOM 0 HB THR A 93 -11.393 2.176 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.530 0.243 -2.562 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.404 3.402 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.066 3.924 -1.771 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.747 2.840 -3.146 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.682 2.941 0.057 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.131 3.957 0.946 1.00 0.00 C ATOM 1370 C TYR A 94 -7.382 5.358 0.395 1.00 0.00 C ATOM 1371 O TYR A 94 -6.906 5.706 -0.686 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.630 3.735 1.140 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.292 2.408 1.782 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.504 1.213 1.105 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.763 2.349 3.065 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.198 -0.002 1.687 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.453 1.139 3.655 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.672 -0.034 2.962 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.365 -1.241 3.547 1.00 0.00 O ATOM 0 H TYR A 94 -7.033 2.607 -0.656 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.632 3.870 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.134 3.797 0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.229 4.540 1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.915 1.235 0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.591 3.265 3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.370 -0.921 1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.042 1.111 4.653 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.130 -1.848 3.466 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.131 6.156 1.146 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.448 7.518 0.734 1.00 0.00 C ATOM 1391 C TYR A 95 -7.605 8.530 1.503 1.00 0.00 C ATOM 1392 O TYR A 95 -7.780 8.714 2.708 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.935 7.806 0.950 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.849 6.797 0.294 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.150 5.593 0.918 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.413 7.048 -0.951 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.984 4.668 0.321 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.250 6.129 -1.555 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.532 4.941 -0.915 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.365 4.022 -1.512 1.00 0.00 O ATOM 0 H TYR A 95 -8.530 5.883 2.044 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.217 7.612 -0.327 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.140 7.828 2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.164 8.798 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.725 5.376 1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.193 7.977 -1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.206 3.736 0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.681 6.340 -2.523 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.667 4.368 -2.378 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.690 9.186 0.798 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.818 10.180 1.412 1.00 0.00 C ATOM 1412 C CYS A 96 -6.616 11.402 1.859 1.00 0.00 C ATOM 1413 O CYS A 96 -7.009 12.234 1.041 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.723 10.604 0.431 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.204 11.216 1.231 1.00 0.00 S ATOM 0 H CYS A 96 -6.533 9.047 -0.200 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.356 9.728 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.470 9.755 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.117 11.383 -0.222 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.852 11.503 3.163 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.602 12.622 3.720 1.00 0.00 C ATOM 1422 C VAL A 97 -6.670 13.754 4.139 1.00 0.00 C ATOM 1423 O VAL A 97 -5.709 13.540 4.878 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.442 12.186 4.935 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.197 13.372 5.516 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.401 11.071 4.548 1.00 0.00 C ATOM 0 H VAL A 97 -6.534 10.823 3.854 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.270 12.977 2.935 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.768 11.804 5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.785 13.044 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.487 14.135 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.861 13.787 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.986 10.776 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.071 11.423 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.835 10.214 4.184 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.961 14.959 3.662 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.151 16.127 3.988 1.00 0.00 C ATOM 1438 C LYS A 98 -6.817 16.965 5.075 1.00 0.00 C ATOM 1439 O LYS A 98 -7.594 17.874 4.783 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.924 16.981 2.739 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.359 18.359 3.037 1.00 0.00 C ATOM 1442 CD LYS A 98 -4.087 18.273 3.864 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.811 19.575 4.599 1.00 0.00 C ATOM 1444 NZ LYS A 98 -2.965 20.498 3.792 1.00 0.00 N ATOM 0 H LYS A 98 -7.752 15.153 3.048 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.189 15.777 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.243 16.456 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.870 17.093 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.151 18.878 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.102 18.950 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.174 17.459 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.245 18.035 3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.755 20.064 4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.314 19.360 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.125 20.770 4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.667 20.020 2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.512 21.349 3.552 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.506 16.654 6.329 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.074 17.379 7.460 1.00 0.00 C ATOM 1460 C PHE A 99 -6.511 18.795 7.536 1.00 0.00 C ATOM 1461 O PHE A 99 -5.322 19.015 7.306 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.789 16.634 8.766 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.865 15.658 9.146 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.942 14.418 8.533 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.800 15.981 10.117 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.931 13.517 8.881 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.790 15.084 10.469 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.857 13.851 9.850 1.00 0.00 C ATOM 0 H PHE A 99 -5.864 15.905 6.588 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.152 17.443 7.314 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.843 16.101 8.672 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.667 17.360 9.570 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.221 14.152 7.774 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.754 16.944 10.604 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.980 12.553 8.396 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.512 15.347 11.228 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.632 13.150 10.123 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.375 19.752 7.859 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.966 21.148 7.963 1.00 0.00 C ATOM 1480 C ARG A 100 -6.832 21.567 9.424 1.00 0.00 C ATOM 1481 O ARG A 100 -7.721 21.315 10.238 1.00 0.00 O ATOM 1482 CB ARG A 100 -7.975 22.052 7.252 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.231 22.319 8.065 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.159 23.291 7.352 1.00 0.00 C ATOM 1485 NE ARG A 100 -9.893 24.677 7.727 1.00 0.00 N ATOM 1486 CZ ARG A 100 -10.717 25.683 7.457 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -11.855 25.457 6.814 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -10.405 26.917 7.831 1.00 0.00 N ATOM 0 H ARG A 100 -8.363 19.586 8.053 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.994 21.253 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.496 23.002 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.256 21.593 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.755 21.381 8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.956 22.724 9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.043 23.178 6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.194 23.044 7.589 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.026 24.884 8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -12.099 24.509 6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.487 26.231 6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.531 27.094 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.039 27.689 7.623 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.715 22.208 9.750 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.464 22.664 11.112 1.00 0.00 C ATOM 1504 C LYS A 101 -6.721 23.277 11.722 1.00 0.00 C ATOM 1505 O LYS A 101 -7.198 24.317 11.269 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.325 23.687 11.128 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.535 23.698 12.425 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.446 24.756 12.406 1.00 0.00 C ATOM 1509 CE LYS A 101 -2.949 26.084 12.951 1.00 0.00 C ATOM 1510 NZ LYS A 101 -2.719 26.204 14.417 1.00 0.00 N ATOM 0 H LYS A 101 -4.969 22.424 9.089 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.176 21.799 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.647 23.476 10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.738 24.681 10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.209 23.884 13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.088 22.717 12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.597 24.416 12.999 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.088 24.893 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.445 26.902 12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.014 26.183 12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.075 27.122 14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.220 25.438 14.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.700 26.135 14.615 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.252 22.626 12.752 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.448 23.124 13.407 1.00 0.00 C ATOM 1526 C GLY A 102 -8.343 23.076 14.919 1.00 0.00 C ATOM 1527 O GLY A 102 -7.255 22.906 15.467 1.00 0.00 O ATOM 0 H GLY A 102 -6.876 21.763 13.145 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.631 24.151 13.091 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.307 22.534 13.086 1.00 0.00 H new ATOM 1531 N SER A 103 -9.478 23.227 15.594 1.00 0.00 N ATOM 1532 CA SER A 103 -9.509 23.206 17.051 1.00 0.00 C ATOM 1533 C SER A 103 -10.878 22.763 17.559 1.00 0.00 C ATOM 1534 O SER A 103 -11.917 23.093 16.987 1.00 0.00 O ATOM 1535 CB SER A 103 -9.168 24.589 17.610 1.00 0.00 C ATOM 1536 OG SER A 103 -8.495 24.485 18.853 1.00 0.00 O ATOM 0 H SER A 103 -10.388 23.365 15.155 1.00 0.00 H new ATOM 0 HA SER A 103 -8.763 22.489 17.395 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.543 25.128 16.898 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.082 25.170 17.735 1.00 0.00 H new ATOM 0 HG SER A 103 -8.287 25.382 19.188 1.00 0.00 H new ATOM 1542 N PRO A 104 -10.880 21.997 18.660 1.00 0.00 N ATOM 1543 CA PRO A 104 -9.650 21.598 19.350 1.00 0.00 C ATOM 1544 C PRO A 104 -8.829 20.601 18.539 1.00 0.00 C ATOM 1545 O PRO A 104 -7.768 20.156 18.976 1.00 0.00 O ATOM 1546 CB PRO A 104 -10.160 20.948 20.638 1.00 0.00 C ATOM 1547 CG PRO A 104 -11.531 20.472 20.306 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.085 21.462 19.317 1.00 0.00 C ATOM 0 HA PRO A 104 -8.984 22.444 19.519 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.518 20.122 20.946 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.178 21.662 21.461 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -11.503 19.469 19.880 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.154 20.422 21.199 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -12.754 20.984 18.602 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -12.656 22.248 19.812 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.326 20.255 17.357 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.637 19.312 16.484 1.00 0.00 C ATOM 1558 C ASP A 105 -8.825 19.690 15.018 1.00 0.00 C ATOM 1559 O ASP A 105 -9.641 20.552 14.689 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.150 17.892 16.727 1.00 0.00 C ATOM 1561 CG ASP A 105 -10.518 17.658 16.116 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -11.266 18.643 15.940 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -10.841 16.490 15.814 1.00 0.00 O ATOM 0 H ASP A 105 -10.204 20.613 16.981 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.573 19.351 16.716 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.442 17.176 16.309 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.198 17.705 17.800 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.065 19.041 14.143 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.148 19.310 12.712 1.00 0.00 C ATOM 1570 C ASP A 106 -9.553 19.030 12.187 1.00 0.00 C ATOM 1571 O ASP A 106 -10.439 18.623 12.939 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.128 18.460 11.952 1.00 0.00 C ATOM 1573 CG ASP A 106 -5.727 18.596 12.516 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -5.095 19.648 12.287 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -5.263 17.649 13.186 1.00 0.00 O ATOM 0 H ASP A 106 -7.385 18.325 14.399 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.923 20.364 12.552 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.432 17.414 11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.124 18.754 10.902 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.750 19.252 10.891 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.047 19.023 10.265 1.00 0.00 C ATOM 1582 C VAL A 107 -10.886 18.500 8.842 1.00 0.00 C ATOM 1583 O VAL A 107 -10.004 18.939 8.106 1.00 0.00 O ATOM 1584 CB VAL A 107 -11.890 20.312 10.234 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.076 20.153 9.296 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.354 20.679 11.636 1.00 0.00 C ATOM 0 H VAL A 107 -9.028 19.590 10.255 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.562 18.275 10.868 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.267 21.123 9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.659 21.074 9.288 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.717 19.941 8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.703 19.330 9.638 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.948 21.592 11.595 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.960 19.869 12.042 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.486 20.839 12.276 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.746 17.560 8.462 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.699 16.977 7.127 1.00 0.00 C ATOM 1598 C GLU A 108 -11.970 18.035 6.061 1.00 0.00 C ATOM 1599 O GLU A 108 -13.100 18.495 5.900 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.718 15.842 7.005 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.427 14.883 5.863 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.617 14.009 5.518 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -14.761 14.428 5.793 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -13.404 12.906 4.972 1.00 0.00 O ATOM 0 H GLU A 108 -12.483 17.186 9.060 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.698 16.575 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.741 15.283 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.711 16.270 6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.131 15.452 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.582 14.250 6.132 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.924 18.418 5.336 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.047 19.422 4.286 1.00 0.00 C ATOM 1613 C PHE A 109 -11.206 18.764 2.919 1.00 0.00 C ATOM 1614 O PHE A 109 -12.168 19.028 2.197 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.824 20.341 4.284 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.852 21.374 3.193 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.577 22.544 3.348 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.152 21.174 2.014 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.605 23.495 2.346 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.176 22.122 1.009 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.902 23.285 1.175 1.00 0.00 C ATOM 0 H PHE A 109 -9.981 18.048 5.457 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.938 20.016 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.756 20.844 5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.924 19.735 4.177 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.126 22.715 4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.581 20.267 1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.176 24.402 2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.627 21.954 0.094 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.920 24.028 0.392 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.254 17.905 2.569 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.286 17.207 1.289 1.00 0.00 C ATOM 1633 C LYS A 110 -10.133 15.703 1.486 1.00 0.00 C ATOM 1634 O LYS A 110 -9.667 15.248 2.531 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.177 17.728 0.373 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.533 17.679 -1.103 1.00 0.00 C ATOM 1637 CD LYS A 110 -10.414 18.851 -1.504 1.00 0.00 C ATOM 1638 CE LYS A 110 -9.584 20.074 -1.861 1.00 0.00 C ATOM 1639 NZ LYS A 110 -10.410 21.313 -1.900 1.00 0.00 N ATOM 0 H LYS A 110 -9.451 17.676 3.154 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.253 17.398 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.944 18.757 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.274 17.141 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.620 17.688 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.048 16.744 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -11.032 18.568 -2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -11.091 19.096 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.783 20.195 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.112 19.922 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.159 21.871 -2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.417 21.058 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.232 21.876 -1.044 1.00 0.00 H new ATOM 1653 N SER A 111 -10.525 14.935 0.474 1.00 0.00 N ATOM 1654 CA SER A 111 -10.433 13.481 0.538 1.00 0.00 C ATOM 1655 C SER A 111 -9.924 12.911 -0.783 1.00 0.00 C ATOM 1656 O SER A 111 -10.396 13.284 -1.856 1.00 0.00 O ATOM 1657 CB SER A 111 -11.797 12.876 0.875 1.00 0.00 C ATOM 1658 OG SER A 111 -11.738 11.461 0.891 1.00 0.00 O ATOM 0 H SER A 111 -10.909 15.295 -0.399 1.00 0.00 H new ATOM 0 HA SER A 111 -9.724 13.221 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.129 13.240 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.535 13.204 0.143 1.00 0.00 H new ATOM 0 HG SER A 111 -12.622 11.099 1.111 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.957 12.003 -0.695 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.399 11.395 -1.889 1.00 0.00 C ATOM 1666 C GLY A 112 -9.408 10.541 -2.631 1.00 0.00 C ATOM 1667 O GLY A 112 -10.327 9.988 -2.026 1.00 0.00 O ATOM 0 H GLY A 112 -8.550 11.678 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.031 12.177 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.541 10.782 -1.614 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.239 10.435 -3.944 1.00 0.00 N ATOM 1672 CA ALA A 113 -10.142 9.642 -4.769 1.00 0.00 C ATOM 1673 C ALA A 113 -10.332 8.245 -4.189 1.00 0.00 C ATOM 1674 O ALA A 113 -11.452 7.739 -4.115 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.617 9.556 -6.195 1.00 0.00 C ATOM 0 H ALA A 113 -8.485 10.888 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.113 10.138 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.301 8.961 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.540 10.559 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.633 9.087 -6.193 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.230 7.624 -3.778 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.298 6.291 -3.210 1.00 0.00 C ATOM 1683 C GLY A 114 -8.375 5.314 -3.912 1.00 0.00 C ATOM 1684 O GLY A 114 -8.745 4.716 -4.924 1.00 0.00 O ATOM 0 H GLY A 114 -8.292 8.021 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.038 6.336 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.323 5.925 -3.271 1.00 0.00 H new ATOM 1688 N THR A 115 -7.169 5.152 -3.377 1.00 0.00 N ATOM 1689 CA THR A 115 -6.190 4.243 -3.960 1.00 0.00 C ATOM 1690 C THR A 115 -6.507 2.794 -3.610 1.00 0.00 C ATOM 1691 O THR A 115 -6.220 2.337 -2.504 1.00 0.00 O ATOM 1692 CB THR A 115 -4.763 4.574 -3.484 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.426 5.918 -3.846 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.753 3.612 -4.091 1.00 0.00 C ATOM 0 H THR A 115 -6.847 5.639 -2.541 1.00 0.00 H new ATOM 0 HA THR A 115 -6.244 4.372 -5.041 1.00 0.00 H new ATOM 0 HB THR A 115 -4.732 4.471 -2.399 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.107 5.937 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.753 3.866 -3.740 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.995 2.593 -3.790 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.786 3.687 -5.178 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.100 2.076 -4.559 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.456 0.678 -4.348 1.00 0.00 C ATOM 1704 C GLU A 116 -6.207 -0.195 -4.270 1.00 0.00 C ATOM 1705 O GLU A 116 -5.296 -0.070 -5.090 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.367 0.185 -5.475 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.665 -1.303 -5.409 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.862 -1.696 -6.253 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -11.003 -1.562 -5.763 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -9.658 -2.137 -7.404 1.00 0.00 O ATOM 0 H GLU A 116 -7.344 2.439 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.990 0.604 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.306 0.737 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.900 0.411 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.790 -1.860 -5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.847 -1.588 -4.373 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.171 -1.079 -3.279 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.034 -1.973 -3.092 1.00 0.00 C ATOM 1719 C LEU A 117 -5.316 -3.346 -3.695 1.00 0.00 C ATOM 1720 O LEU A 117 -6.444 -3.837 -3.644 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.710 -2.114 -1.604 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.414 -2.852 -1.266 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.211 -2.089 -1.800 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.293 -3.058 0.237 1.00 0.00 C ATOM 0 H LEU A 117 -6.916 -1.196 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.175 -1.540 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.661 -1.117 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.537 -2.634 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.440 -3.831 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.298 -2.629 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.292 -1.994 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.181 -1.097 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.365 -3.585 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.289 -2.090 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.138 -3.647 0.593 1.00 0.00 H new ATOM 1736 N SER A 118 -4.284 -3.960 -4.264 1.00 0.00 N ATOM 1737 CA SER A 118 -4.421 -5.276 -4.878 1.00 0.00 C ATOM 1738 C SER A 118 -3.494 -6.287 -4.210 1.00 0.00 C ATOM 1739 O SER A 118 -2.380 -6.526 -4.674 1.00 0.00 O ATOM 1740 CB SER A 118 -4.115 -5.198 -6.375 1.00 0.00 C ATOM 1741 OG SER A 118 -4.444 -3.922 -6.897 1.00 0.00 O ATOM 0 H SER A 118 -3.344 -3.568 -4.313 1.00 0.00 H new ATOM 0 HA SER A 118 -5.450 -5.608 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.058 -5.402 -6.544 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.677 -5.967 -6.905 1.00 0.00 H new ATOM 0 HG SER A 118 -3.643 -3.357 -6.909 1.00 0.00 H new ATOM 1747 N VAL A 119 -3.963 -6.877 -3.115 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.178 -7.863 -2.382 1.00 0.00 C ATOM 1749 C VAL A 119 -3.156 -9.201 -3.112 1.00 0.00 C ATOM 1750 O VAL A 119 -4.135 -9.946 -3.094 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.731 -8.076 -0.960 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.937 -9.151 -0.234 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.713 -6.770 -0.180 1.00 0.00 C ATOM 0 H VAL A 119 -4.883 -6.689 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.163 -7.472 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.765 -8.412 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.342 -9.288 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.007 -10.089 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.892 -8.848 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.107 -6.939 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.689 -6.402 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.330 -6.032 -0.692 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.031 -9.499 -3.754 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.880 -10.748 -4.492 1.00 0.00 C ATOM 1765 C ARG A 120 -1.332 -11.849 -3.591 1.00 0.00 C ATOM 1766 O ARG A 120 -0.231 -11.734 -3.052 1.00 0.00 O ATOM 1767 CB ARG A 120 -0.953 -10.547 -5.693 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.605 -9.805 -6.848 1.00 0.00 C ATOM 1769 CD ARG A 120 -2.599 -10.686 -7.586 1.00 0.00 C ATOM 1770 NE ARG A 120 -3.355 -9.939 -8.588 1.00 0.00 N ATOM 1771 CZ ARG A 120 -4.342 -10.463 -9.306 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -4.690 -11.731 -9.134 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -4.983 -9.719 -10.199 1.00 0.00 N ATOM 0 H ARG A 120 -1.211 -8.893 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.864 -11.051 -4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.069 -9.996 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.611 -11.521 -6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.114 -8.918 -6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.837 -9.462 -7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -2.067 -11.505 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.289 -11.132 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 120 -3.112 -8.961 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.199 -12.306 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.448 -12.131 -9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -4.718 -8.743 -10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -5.741 -10.123 -10.750 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.107 -12.917 -3.431 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.698 -14.040 -2.596 1.00 0.00 C ATOM 1789 C ALA A 121 -0.208 -14.324 -2.749 1.00 0.00 C ATOM 1790 O ALA A 121 0.403 -13.967 -3.758 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.512 -15.278 -2.942 1.00 0.00 C ATOM 0 H ALA A 121 -3.022 -13.028 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.885 -13.775 -1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.196 -16.109 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.570 -15.076 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.354 -15.537 -3.989 1.00 0.00 H new ATOM 1797 N LYS A 122 0.374 -14.968 -1.743 1.00 0.00 N ATOM 1798 CA LYS A 122 1.793 -15.301 -1.765 1.00 0.00 C ATOM 1799 C LYS A 122 2.256 -15.612 -3.185 1.00 0.00 C ATOM 1800 O LYS A 122 1.498 -16.112 -4.016 1.00 0.00 O ATOM 1801 CB LYS A 122 2.072 -16.497 -0.852 1.00 0.00 C ATOM 1802 CG LYS A 122 1.613 -17.824 -1.432 1.00 0.00 C ATOM 1803 CD LYS A 122 1.784 -18.957 -0.434 1.00 0.00 C ATOM 1804 CE LYS A 122 0.925 -20.158 -0.801 1.00 0.00 C ATOM 1805 NZ LYS A 122 -0.488 -19.983 -0.366 1.00 0.00 N ATOM 0 H LYS A 122 -0.116 -15.270 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 122 2.349 -14.437 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.142 -16.548 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.575 -16.337 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.566 -17.751 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.183 -18.044 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.832 -19.255 -0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.516 -18.608 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.957 -20.311 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.339 -21.055 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.040 -20.822 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.521 -19.862 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.891 -19.142 -0.826 1.00 0.00 H new