USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 546 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 62 TYR OH : rot -115:sc= 1.47 USER MOD Set 1.2: A 100 MET CE :methyl -140:sc= -0.245 (180deg=-2.38!) USER MOD Set 1.3: A 104 THR OG1 : rot 147:sc= 0.508 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0.682 USER MOD Set 2.2: A 83 THR OG1 : rot -85:sc= 0.791 USER MOD Set 3.1: A 58 ASN : amide:sc= -1.05! C(o=-1.1!,f=-3.7!) USER MOD Set 3.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -104:sc= 0.987 USER MOD Single : A 36 SER OG : rot -150:sc= -0.135 USER MOD Single : A 39 SER OG : rot 180:sc= -0.236 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -112:sc= 1.31 USER MOD Single : A 52 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.8!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 51:sc= 0.0104 USER MOD Single : A 57 SER OG : rot -31:sc= 0.772 USER MOD Single : A 61 THR OG1 : rot -160:sc= 0.247 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -2:sc= 0.195 USER MOD Single : A 70 SER OG : rot 85:sc= 1.26 USER MOD Single : A 76 ASN : amide:sc= -0.138 K(o=-0.14,f=-4.8!) USER MOD Single : A 79 THR OG1 : rot -23:sc= 0.666 USER MOD Single : A 81 GLN : amide:sc= 0.652 K(o=0.65,f=-0.27) USER MOD Single : A 85 HIS : no HD1:sc=-0.00215 X(o=-0.0021,f=-0.0021) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 160:sc= 1.65 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0404 USER MOD Single : A 106 ASN : amide:sc= -0.0488 K(o=-0.049,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 0.727 -7.143 2.237 1.00 0.00 N ATOM 33 CA ASP A 25 2.101 -6.665 2.083 1.00 0.00 C ATOM 34 C ASP A 25 2.240 -5.218 2.531 1.00 0.00 C ATOM 35 O ASP A 25 3.114 -4.881 3.333 1.00 0.00 O ATOM 36 CB ASP A 25 2.550 -6.794 0.628 1.00 0.00 C ATOM 37 CG ASP A 25 3.995 -6.391 0.423 1.00 0.00 C ATOM 38 OD1 ASP A 25 4.884 -7.252 0.596 1.00 0.00 O ATOM 39 OD2 ASP A 25 4.251 -5.222 0.066 1.00 0.00 O ATOM 0 HA ASP A 25 2.736 -7.284 2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.415 -7.825 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.912 -6.174 -0.001 1.00 0.00 H new ATOM 44 N GLY A 26 1.367 -4.378 2.020 1.00 0.00 N ATOM 45 CA GLY A 26 1.423 -2.966 2.312 1.00 0.00 C ATOM 46 C GLY A 26 0.729 -2.164 1.241 1.00 0.00 C ATOM 47 O GLY A 26 0.408 -2.694 0.178 1.00 0.00 O ATOM 0 H GLY A 26 0.607 -4.652 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.955 -2.772 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.463 -2.649 2.392 1.00 0.00 H new ATOM 51 N VAL A 27 0.481 -0.897 1.511 1.00 0.00 N ATOM 52 CA VAL A 27 -0.160 -0.042 0.529 1.00 0.00 C ATOM 53 C VAL A 27 0.830 0.960 -0.051 1.00 0.00 C ATOM 54 O VAL A 27 1.525 1.665 0.678 1.00 0.00 O ATOM 55 CB VAL A 27 -1.386 0.703 1.110 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.488 -0.281 1.467 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.007 1.533 2.325 1.00 0.00 C ATOM 0 H VAL A 27 0.711 -0.440 2.393 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.516 -0.695 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.755 1.382 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.342 0.261 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.795 -0.823 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.118 -0.987 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.891 2.043 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.601 0.881 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.257 2.271 2.042 1.00 0.00 H new ATOM 67 N GLN A 28 0.907 0.999 -1.369 1.00 0.00 N ATOM 68 CA GLN A 28 1.780 1.939 -2.055 1.00 0.00 C ATOM 69 C GLN A 28 0.979 3.140 -2.536 1.00 0.00 C ATOM 70 O GLN A 28 -0.169 2.998 -2.963 1.00 0.00 O ATOM 71 CB GLN A 28 2.486 1.258 -3.230 1.00 0.00 C ATOM 72 CG GLN A 28 3.103 2.232 -4.224 1.00 0.00 C ATOM 73 CD GLN A 28 4.053 1.562 -5.188 1.00 0.00 C ATOM 74 OE1 GLN A 28 3.649 1.063 -6.236 1.00 0.00 O ATOM 75 NE2 GLN A 28 5.328 1.577 -4.848 1.00 0.00 N ATOM 0 H GLN A 28 0.374 0.389 -1.989 1.00 0.00 H new ATOM 0 HA GLN A 28 2.541 2.284 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.268 0.605 -2.843 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.771 0.624 -3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.308 2.722 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.636 3.011 -3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.616 2.003 -3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.026 1.163 -5.466 1.00 0.00 H new ATOM 84 N ILE A 29 1.579 4.317 -2.467 1.00 0.00 N ATOM 85 CA ILE A 29 0.882 5.526 -2.863 1.00 0.00 C ATOM 86 C ILE A 29 1.030 5.794 -4.348 1.00 0.00 C ATOM 87 O ILE A 29 2.136 5.959 -4.868 1.00 0.00 O ATOM 88 CB ILE A 29 1.328 6.763 -2.061 1.00 0.00 C ATOM 89 CG1 ILE A 29 2.851 6.848 -1.959 1.00 0.00 C ATOM 90 CG2 ILE A 29 0.688 6.738 -0.687 1.00 0.00 C ATOM 91 CD1 ILE A 29 3.338 8.039 -1.164 1.00 0.00 C ATOM 0 H ILE A 29 2.536 4.459 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.170 5.348 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 29 0.995 7.656 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.228 5.935 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.272 6.895 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.005 7.614 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.397 6.746 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.995 5.835 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.428 8.035 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.992 8.958 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.946 7.983 -0.148 1.00 0.00 H new ATOM 103 N ASP A 30 -0.111 5.820 -5.011 1.00 0.00 N ATOM 104 CA ASP A 30 -0.200 6.118 -6.430 1.00 0.00 C ATOM 105 C ASP A 30 0.326 7.512 -6.700 1.00 0.00 C ATOM 106 O ASP A 30 1.287 7.699 -7.451 1.00 0.00 O ATOM 107 CB ASP A 30 -1.665 6.035 -6.866 1.00 0.00 C ATOM 108 CG ASP A 30 -1.883 6.313 -8.341 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.944 7.499 -8.721 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.055 5.355 -9.116 1.00 0.00 O ATOM 0 H ASP A 30 -1.014 5.633 -4.575 1.00 0.00 H new ATOM 0 HA ASP A 30 0.397 5.398 -6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.048 5.041 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.249 6.746 -6.282 1.00 0.00 H new ATOM 115 N SER A 31 -0.291 8.486 -6.055 1.00 0.00 N ATOM 116 CA SER A 31 0.028 9.878 -6.309 1.00 0.00 C ATOM 117 C SER A 31 -0.411 10.760 -5.154 1.00 0.00 C ATOM 118 O SER A 31 -1.269 10.378 -4.358 1.00 0.00 O ATOM 119 CB SER A 31 -0.634 10.337 -7.610 1.00 0.00 C ATOM 120 OG SER A 31 -1.978 9.899 -7.673 1.00 0.00 O ATOM 0 H SER A 31 -1.015 8.338 -5.352 1.00 0.00 H new ATOM 0 HA SER A 31 1.110 9.968 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.598 11.424 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.079 9.946 -8.463 1.00 0.00 H new ATOM 0 HG SER A 31 -2.047 9.143 -8.293 1.00 0.00 H new ATOM 126 N VAL A 32 0.192 11.935 -5.068 1.00 0.00 N ATOM 127 CA VAL A 32 -0.154 12.905 -4.045 1.00 0.00 C ATOM 128 C VAL A 32 -0.854 14.092 -4.690 1.00 0.00 C ATOM 129 O VAL A 32 -0.286 14.760 -5.558 1.00 0.00 O ATOM 130 CB VAL A 32 1.097 13.385 -3.275 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.739 14.485 -2.280 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.756 12.216 -2.557 1.00 0.00 C ATOM 0 H VAL A 32 0.930 12.241 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.821 12.425 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 32 1.802 13.798 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.637 14.804 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.311 15.333 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.012 14.104 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.636 12.569 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.050 11.778 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.055 11.463 -3.286 1.00 0.00 H new ATOM 142 N VAL A 33 -2.088 14.339 -4.278 1.00 0.00 N ATOM 143 CA VAL A 33 -2.902 15.388 -4.871 1.00 0.00 C ATOM 144 C VAL A 33 -2.583 16.741 -4.240 1.00 0.00 C ATOM 145 O VAL A 33 -2.675 16.906 -3.022 1.00 0.00 O ATOM 146 CB VAL A 33 -4.412 15.083 -4.718 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.251 16.156 -5.385 1.00 0.00 C ATOM 148 CG2 VAL A 33 -4.746 13.714 -5.285 1.00 0.00 C ATOM 0 H VAL A 33 -2.550 13.823 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.663 15.425 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.648 15.079 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.308 15.919 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.040 17.121 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.008 16.200 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.812 13.521 -5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.488 13.686 -6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.178 12.951 -4.752 1.00 0.00 H new ATOM 158 N PRO A 34 -2.199 17.729 -5.068 1.00 0.00 N ATOM 159 CA PRO A 34 -1.875 19.085 -4.608 1.00 0.00 C ATOM 160 C PRO A 34 -3.116 19.884 -4.196 1.00 0.00 C ATOM 161 O PRO A 34 -3.142 21.109 -4.311 1.00 0.00 O ATOM 162 CB PRO A 34 -1.201 19.737 -5.831 1.00 0.00 C ATOM 163 CG PRO A 34 -0.957 18.625 -6.797 1.00 0.00 C ATOM 164 CD PRO A 34 -2.014 17.599 -6.518 1.00 0.00 C ATOM 0 HA PRO A 34 -1.245 19.063 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.841 20.503 -6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.267 20.224 -5.550 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.019 18.980 -7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.040 18.205 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.934 17.803 -7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.692 16.596 -6.799 1.00 0.00 H new ATOM 172 N GLY A 35 -4.125 19.186 -3.693 1.00 0.00 N ATOM 173 CA GLY A 35 -5.345 19.831 -3.251 1.00 0.00 C ATOM 174 C GLY A 35 -5.623 19.539 -1.792 1.00 0.00 C ATOM 175 O GLY A 35 -6.758 19.641 -1.325 1.00 0.00 O ATOM 0 H GLY A 35 -4.119 18.172 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.264 20.908 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.182 19.487 -3.859 1.00 0.00 H new ATOM 179 N SER A 36 -4.576 19.149 -1.084 1.00 0.00 N ATOM 180 CA SER A 36 -4.659 18.839 0.333 1.00 0.00 C ATOM 181 C SER A 36 -3.328 19.198 1.002 1.00 0.00 C ATOM 182 O SER A 36 -2.308 19.322 0.319 1.00 0.00 O ATOM 183 CB SER A 36 -4.981 17.359 0.525 1.00 0.00 C ATOM 184 OG SER A 36 -6.213 17.017 -0.093 1.00 0.00 O ATOM 0 H SER A 36 -3.642 19.038 -1.478 1.00 0.00 H new ATOM 0 HA SER A 36 -5.457 19.421 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.179 16.752 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.029 17.130 1.590 1.00 0.00 H new ATOM 0 HG SER A 36 -6.632 16.280 0.398 1.00 0.00 H new ATOM 190 N PRO A 37 -3.310 19.362 2.340 1.00 0.00 N ATOM 191 CA PRO A 37 -2.107 19.785 3.081 1.00 0.00 C ATOM 192 C PRO A 37 -0.919 18.829 2.923 1.00 0.00 C ATOM 193 O PRO A 37 0.213 19.177 3.259 1.00 0.00 O ATOM 194 CB PRO A 37 -2.572 19.810 4.544 1.00 0.00 C ATOM 195 CG PRO A 37 -4.057 19.906 4.481 1.00 0.00 C ATOM 196 CD PRO A 37 -4.462 19.167 3.241 1.00 0.00 C ATOM 0 HA PRO A 37 -1.739 20.741 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.258 18.910 5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.145 20.659 5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.515 19.465 5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.380 20.946 4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.641 18.111 3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.380 19.570 2.814 1.00 0.00 H new ATOM 204 N ALA A 38 -1.173 17.635 2.399 1.00 0.00 N ATOM 205 CA ALA A 38 -0.136 16.620 2.252 1.00 0.00 C ATOM 206 C ALA A 38 0.757 16.892 1.041 1.00 0.00 C ATOM 207 O ALA A 38 1.774 16.221 0.848 1.00 0.00 O ATOM 208 CB ALA A 38 -0.771 15.243 2.134 1.00 0.00 C ATOM 0 H ALA A 38 -2.093 17.345 2.067 1.00 0.00 H new ATOM 0 HA ALA A 38 0.494 16.656 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.010 14.490 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.354 15.033 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.425 15.217 1.262 1.00 0.00 H new ATOM 214 N SER A 39 0.383 17.891 0.244 1.00 0.00 N ATOM 215 CA SER A 39 1.088 18.203 -0.998 1.00 0.00 C ATOM 216 C SER A 39 2.556 18.569 -0.753 1.00 0.00 C ATOM 217 O SER A 39 3.408 18.350 -1.615 1.00 0.00 O ATOM 218 CB SER A 39 0.378 19.346 -1.730 1.00 0.00 C ATOM 219 OG SER A 39 0.966 19.593 -3.000 1.00 0.00 O ATOM 0 H SER A 39 -0.410 18.502 0.438 1.00 0.00 H new ATOM 0 HA SER A 39 1.074 17.305 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.676 19.099 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.423 20.251 -1.124 1.00 0.00 H new ATOM 0 HG SER A 39 0.491 20.326 -3.444 1.00 0.00 H new ATOM 225 N LYS A 40 2.854 19.116 0.418 1.00 0.00 N ATOM 226 CA LYS A 40 4.213 19.550 0.722 1.00 0.00 C ATOM 227 C LYS A 40 4.874 18.597 1.720 1.00 0.00 C ATOM 228 O LYS A 40 5.925 18.901 2.285 1.00 0.00 O ATOM 229 CB LYS A 40 4.190 20.968 1.299 1.00 0.00 C ATOM 230 CG LYS A 40 5.541 21.670 1.249 1.00 0.00 C ATOM 231 CD LYS A 40 5.674 22.727 2.335 1.00 0.00 C ATOM 232 CE LYS A 40 5.649 22.092 3.717 1.00 0.00 C ATOM 233 NZ LYS A 40 5.915 23.080 4.793 1.00 0.00 N ATOM 0 H LYS A 40 2.180 19.269 1.168 1.00 0.00 H new ATOM 0 HA LYS A 40 4.792 19.544 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.461 21.563 0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.851 20.924 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.337 20.933 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.672 22.135 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.605 23.277 2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.862 23.448 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.677 21.628 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.394 21.297 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.888 22.603 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.853 23.505 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.190 23.825 4.767 1.00 0.00 H new ATOM 247 N VAL A 41 4.268 17.438 1.924 1.00 0.00 N ATOM 248 CA VAL A 41 4.760 16.507 2.929 1.00 0.00 C ATOM 249 C VAL A 41 5.260 15.209 2.298 1.00 0.00 C ATOM 250 O VAL A 41 6.430 14.849 2.444 1.00 0.00 O ATOM 251 CB VAL A 41 3.674 16.179 3.978 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.233 15.271 5.066 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.103 17.454 4.585 1.00 0.00 C ATOM 0 H VAL A 41 3.444 17.121 1.414 1.00 0.00 H new ATOM 0 HA VAL A 41 5.595 17.001 3.426 1.00 0.00 H new ATOM 0 HB VAL A 41 2.865 15.651 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.452 15.052 5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.583 14.341 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.064 15.769 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.341 17.197 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.901 18.015 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.658 18.064 3.799 1.00 0.00 H new ATOM 263 N LEU A 42 4.380 14.516 1.587 1.00 0.00 N ATOM 264 CA LEU A 42 4.708 13.198 1.060 1.00 0.00 C ATOM 265 C LEU A 42 5.267 13.285 -0.351 1.00 0.00 C ATOM 266 O LEU A 42 5.338 14.360 -0.945 1.00 0.00 O ATOM 267 CB LEU A 42 3.481 12.274 1.065 1.00 0.00 C ATOM 268 CG LEU A 42 2.984 11.831 2.445 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.208 12.943 3.130 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.127 10.580 2.324 1.00 0.00 C ATOM 0 H LEU A 42 3.440 14.842 1.363 1.00 0.00 H new ATOM 0 HA LEU A 42 5.472 12.779 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.665 12.783 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.718 11.384 0.482 1.00 0.00 H new ATOM 0 HG LEU A 42 3.854 11.600 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.867 12.601 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.853 13.813 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.346 13.214 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.782 10.278 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.267 10.788 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.717 9.776 1.885 1.00 0.00 H new ATOM 282 N THR A 43 5.678 12.142 -0.869 1.00 0.00 N ATOM 283 CA THR A 43 6.150 12.027 -2.234 1.00 0.00 C ATOM 284 C THR A 43 5.642 10.711 -2.826 1.00 0.00 C ATOM 285 O THR A 43 5.871 9.646 -2.259 1.00 0.00 O ATOM 286 CB THR A 43 7.691 12.090 -2.293 1.00 0.00 C ATOM 287 OG1 THR A 43 8.144 13.320 -1.703 1.00 0.00 O ATOM 288 CG2 THR A 43 8.198 11.994 -3.728 1.00 0.00 C ATOM 0 H THR A 43 5.693 11.264 -0.351 1.00 0.00 H new ATOM 0 HA THR A 43 5.765 12.863 -2.818 1.00 0.00 H new ATOM 0 HB THR A 43 8.087 11.241 -1.737 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.123 13.359 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.287 12.042 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.874 11.050 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.796 12.822 -4.312 1.00 0.00 H new ATOM 296 N PRO A 44 4.927 10.775 -3.959 1.00 0.00 N ATOM 297 CA PRO A 44 4.271 9.602 -4.557 1.00 0.00 C ATOM 298 C PRO A 44 5.266 8.537 -5.025 1.00 0.00 C ATOM 299 O PRO A 44 6.408 8.848 -5.365 1.00 0.00 O ATOM 300 CB PRO A 44 3.506 10.195 -5.744 1.00 0.00 C ATOM 301 CG PRO A 44 4.233 11.452 -6.075 1.00 0.00 C ATOM 302 CD PRO A 44 4.720 11.993 -4.763 1.00 0.00 C ATOM 0 HA PRO A 44 3.636 9.082 -3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.496 9.509 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.467 10.396 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.065 11.257 -6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.576 12.165 -6.574 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.642 12.562 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.989 12.660 -4.305 1.00 0.00 H new ATOM 310 N GLY A 45 4.822 7.281 -5.030 1.00 0.00 N ATOM 311 CA GLY A 45 5.680 6.184 -5.444 1.00 0.00 C ATOM 312 C GLY A 45 6.212 5.380 -4.269 1.00 0.00 C ATOM 313 O GLY A 45 6.761 4.293 -4.446 1.00 0.00 O ATOM 0 H GLY A 45 3.880 7.004 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.123 5.523 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.518 6.580 -6.017 1.00 0.00 H new ATOM 317 N LEU A 46 6.040 5.910 -3.066 1.00 0.00 N ATOM 318 CA LEU A 46 6.544 5.257 -1.865 1.00 0.00 C ATOM 319 C LEU A 46 5.557 4.214 -1.352 1.00 0.00 C ATOM 320 O LEU A 46 4.391 4.193 -1.752 1.00 0.00 O ATOM 321 CB LEU A 46 6.821 6.290 -0.774 1.00 0.00 C ATOM 322 CG LEU A 46 7.812 7.391 -1.151 1.00 0.00 C ATOM 323 CD1 LEU A 46 8.010 8.353 0.010 1.00 0.00 C ATOM 324 CD2 LEU A 46 9.140 6.789 -1.581 1.00 0.00 C ATOM 0 H LEU A 46 5.555 6.791 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 46 7.475 4.752 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.877 6.756 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.198 5.771 0.107 1.00 0.00 H new ATOM 0 HG LEU A 46 7.401 7.950 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.719 9.130 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.056 8.811 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.398 7.809 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.833 7.588 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.557 6.204 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.984 6.143 -2.445 1.00 0.00 H new ATOM 336 N VAL A 47 6.032 3.347 -0.469 1.00 0.00 N ATOM 337 CA VAL A 47 5.183 2.339 0.147 1.00 0.00 C ATOM 338 C VAL A 47 4.934 2.695 1.609 1.00 0.00 C ATOM 339 O VAL A 47 5.858 3.089 2.324 1.00 0.00 O ATOM 340 CB VAL A 47 5.816 0.928 0.062 1.00 0.00 C ATOM 341 CG1 VAL A 47 4.880 -0.128 0.637 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.180 0.589 -1.376 1.00 0.00 C ATOM 0 H VAL A 47 7.005 3.322 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 47 4.240 2.322 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 47 6.728 0.934 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.350 -1.109 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.674 0.099 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.946 -0.131 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.623 -0.406 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.282 0.610 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.896 1.320 -1.752 1.00 0.00 H new ATOM 352 N ILE A 48 3.689 2.580 2.040 1.00 0.00 N ATOM 353 CA ILE A 48 3.321 2.886 3.413 1.00 0.00 C ATOM 354 C ILE A 48 3.494 1.660 4.298 1.00 0.00 C ATOM 355 O ILE A 48 2.927 0.601 4.037 1.00 0.00 O ATOM 356 CB ILE A 48 1.865 3.391 3.514 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.679 4.646 2.656 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.495 3.674 4.968 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.261 5.177 2.647 1.00 0.00 C ATOM 0 H ILE A 48 2.911 2.275 1.455 1.00 0.00 H new ATOM 0 HA ILE A 48 3.985 3.680 3.756 1.00 0.00 H new ATOM 0 HB ILE A 48 1.200 2.613 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.347 5.426 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.980 4.423 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.466 4.029 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.593 2.760 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.162 4.436 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.209 6.066 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.411 4.414 2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.038 5.434 3.663 1.00 0.00 H new ATOM 371 N GLU A 49 4.287 1.822 5.341 1.00 0.00 N ATOM 372 CA GLU A 49 4.567 0.752 6.279 1.00 0.00 C ATOM 373 C GLU A 49 3.406 0.598 7.252 1.00 0.00 C ATOM 374 O GLU A 49 2.918 -0.509 7.493 1.00 0.00 O ATOM 375 CB GLU A 49 5.864 1.075 7.026 1.00 0.00 C ATOM 376 CG GLU A 49 6.534 -0.117 7.695 1.00 0.00 C ATOM 377 CD GLU A 49 5.931 -0.476 9.037 1.00 0.00 C ATOM 378 OE1 GLU A 49 5.839 0.417 9.906 1.00 0.00 O ATOM 379 OE2 GLU A 49 5.585 -1.658 9.248 1.00 0.00 O ATOM 0 H GLU A 49 4.756 2.701 5.561 1.00 0.00 H new ATOM 0 HA GLU A 49 4.688 -0.191 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.568 1.522 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.651 1.827 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.466 -0.980 7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.594 0.100 7.828 1.00 0.00 H new ATOM 386 N SER A 50 2.950 1.719 7.792 1.00 0.00 N ATOM 387 CA SER A 50 1.880 1.704 8.773 1.00 0.00 C ATOM 388 C SER A 50 1.249 3.082 8.928 1.00 0.00 C ATOM 389 O SER A 50 1.890 4.105 8.670 1.00 0.00 O ATOM 390 CB SER A 50 2.418 1.212 10.118 1.00 0.00 C ATOM 391 OG SER A 50 3.654 1.832 10.430 1.00 0.00 O ATOM 0 H SER A 50 3.305 2.648 7.566 1.00 0.00 H new ATOM 0 HA SER A 50 1.105 1.022 8.422 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.692 1.424 10.903 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.547 0.130 10.088 1.00 0.00 H new ATOM 0 HG SER A 50 4.372 1.165 10.399 1.00 0.00 H new ATOM 397 N ILE A 51 -0.011 3.099 9.341 1.00 0.00 N ATOM 398 CA ILE A 51 -0.717 4.342 9.601 1.00 0.00 C ATOM 399 C ILE A 51 -0.888 4.532 11.103 1.00 0.00 C ATOM 400 O ILE A 51 -1.726 3.884 11.725 1.00 0.00 O ATOM 401 CB ILE A 51 -2.105 4.374 8.916 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.963 4.232 7.396 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.852 5.657 9.264 1.00 0.00 C ATOM 404 CD1 ILE A 51 -1.176 5.346 6.743 1.00 0.00 C ATOM 0 H ILE A 51 -0.567 2.259 9.503 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.120 5.153 9.185 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.684 3.529 9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.479 3.281 7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.957 4.195 6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.824 5.657 8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.992 5.715 10.343 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.274 6.517 8.926 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.121 5.171 5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.670 6.299 6.931 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.168 5.371 7.158 1.00 0.00 H new ATOM 416 N ASN A 52 -0.063 5.404 11.669 1.00 0.00 N ATOM 417 CA ASN A 52 -0.085 5.730 13.096 1.00 0.00 C ATOM 418 C ASN A 52 0.275 4.511 13.943 1.00 0.00 C ATOM 419 O ASN A 52 1.437 4.323 14.298 1.00 0.00 O ATOM 420 CB ASN A 52 -1.446 6.310 13.500 1.00 0.00 C ATOM 421 CG ASN A 52 -1.421 6.993 14.856 1.00 0.00 C ATOM 422 OD1 ASN A 52 -0.672 6.609 15.755 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.229 8.030 15.005 1.00 0.00 N ATOM 0 H ASN A 52 0.650 5.913 11.147 1.00 0.00 H new ATOM 0 HA ASN A 52 0.671 6.493 13.282 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.768 7.026 12.744 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.186 5.509 13.516 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.246 8.541 15.888 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.835 8.319 14.237 1.00 0.00 H new ATOM 430 N GLY A 53 -0.711 3.681 14.244 1.00 0.00 N ATOM 431 CA GLY A 53 -0.462 2.464 14.987 1.00 0.00 C ATOM 432 C GLY A 53 -1.143 1.285 14.336 1.00 0.00 C ATOM 433 O GLY A 53 -1.194 0.187 14.891 1.00 0.00 O ATOM 0 H GLY A 53 -1.686 3.830 13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.611 2.282 15.045 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.822 2.578 16.010 1.00 0.00 H new ATOM 437 N MET A 54 -1.685 1.526 13.152 1.00 0.00 N ATOM 438 CA MET A 54 -2.399 0.513 12.404 1.00 0.00 C ATOM 439 C MET A 54 -1.687 0.274 11.080 1.00 0.00 C ATOM 440 O MET A 54 -1.776 1.095 10.165 1.00 0.00 O ATOM 441 CB MET A 54 -3.849 0.949 12.136 1.00 0.00 C ATOM 442 CG MET A 54 -4.582 1.513 13.349 1.00 0.00 C ATOM 443 SD MET A 54 -4.046 3.186 13.779 1.00 0.00 S ATOM 444 CE MET A 54 -5.154 3.570 15.128 1.00 0.00 C ATOM 0 H MET A 54 -1.640 2.432 12.686 1.00 0.00 H new ATOM 0 HA MET A 54 -2.419 -0.406 12.990 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.847 1.702 11.348 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.407 0.093 11.758 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.653 1.520 13.149 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.422 0.855 14.203 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.943 4.573 15.498 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.185 3.522 14.777 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.011 2.849 15.933 1.00 0.00 H new ATOM 454 N PRO A 55 -0.939 -0.829 10.963 1.00 0.00 N ATOM 455 CA PRO A 55 -0.200 -1.141 9.741 1.00 0.00 C ATOM 456 C PRO A 55 -1.117 -1.493 8.582 1.00 0.00 C ATOM 457 O PRO A 55 -1.910 -2.433 8.655 1.00 0.00 O ATOM 458 CB PRO A 55 0.656 -2.341 10.124 1.00 0.00 C ATOM 459 CG PRO A 55 -0.060 -2.974 11.267 1.00 0.00 C ATOM 460 CD PRO A 55 -0.744 -1.855 12.005 1.00 0.00 C ATOM 0 HA PRO A 55 0.381 -0.285 9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.759 -3.035 9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.662 -2.034 10.410 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.785 -3.708 10.914 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.636 -3.502 11.919 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.693 -2.177 12.434 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.132 -1.482 12.827 1.00 0.00 H new ATOM 468 N THR A 56 -1.000 -0.737 7.509 1.00 0.00 N ATOM 469 CA THR A 56 -1.810 -0.965 6.333 1.00 0.00 C ATOM 470 C THR A 56 -1.123 -1.939 5.394 1.00 0.00 C ATOM 471 O THR A 56 -0.358 -1.544 4.514 1.00 0.00 O ATOM 472 CB THR A 56 -2.103 0.344 5.594 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.911 1.141 5.541 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.214 1.122 6.281 1.00 0.00 C ATOM 0 H THR A 56 -0.348 0.044 7.429 1.00 0.00 H new ATOM 0 HA THR A 56 -2.756 -1.392 6.665 1.00 0.00 H new ATOM 0 HB THR A 56 -2.431 0.105 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.169 0.597 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.402 2.047 5.736 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.123 0.520 6.298 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.915 1.357 7.303 1.00 0.00 H new ATOM 482 N SER A 57 -1.374 -3.213 5.618 1.00 0.00 N ATOM 483 CA SER A 57 -0.783 -4.261 4.813 1.00 0.00 C ATOM 484 C SER A 57 -1.728 -4.636 3.674 1.00 0.00 C ATOM 485 O SER A 57 -1.338 -5.301 2.710 1.00 0.00 O ATOM 486 CB SER A 57 -0.478 -5.470 5.705 1.00 0.00 C ATOM 487 OG SER A 57 0.378 -6.398 5.064 1.00 0.00 O ATOM 0 H SER A 57 -1.990 -3.549 6.359 1.00 0.00 H new ATOM 0 HA SER A 57 0.150 -3.911 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.015 -5.130 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.410 -5.965 5.977 1.00 0.00 H new ATOM 0 HG SER A 57 0.216 -6.379 4.098 1.00 0.00 H new ATOM 493 N ASN A 58 -2.975 -4.193 3.785 1.00 0.00 N ATOM 494 CA ASN A 58 -3.973 -4.452 2.773 1.00 0.00 C ATOM 495 C ASN A 58 -4.838 -3.206 2.584 1.00 0.00 C ATOM 496 O ASN A 58 -4.659 -2.208 3.283 1.00 0.00 O ATOM 497 CB ASN A 58 -4.831 -5.638 3.208 1.00 0.00 C ATOM 498 CG ASN A 58 -5.809 -6.101 2.154 1.00 0.00 C ATOM 499 OD1 ASN A 58 -5.559 -6.007 0.952 1.00 0.00 O ATOM 500 ND2 ASN A 58 -6.949 -6.566 2.612 1.00 0.00 N ATOM 0 H ASN A 58 -3.314 -3.648 4.577 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.492 -4.692 1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.178 -6.469 3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.383 -5.365 4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.674 -6.869 1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.109 -6.624 3.618 1.00 0.00 H new ATOM 507 N LEU A 59 -5.780 -3.271 1.661 1.00 0.00 N ATOM 508 CA LEU A 59 -6.642 -2.151 1.362 1.00 0.00 C ATOM 509 C LEU A 59 -7.711 -1.980 2.436 1.00 0.00 C ATOM 510 O LEU A 59 -8.120 -0.862 2.749 1.00 0.00 O ATOM 511 CB LEU A 59 -7.295 -2.367 0.000 1.00 0.00 C ATOM 512 CG LEU A 59 -6.348 -2.285 -1.199 1.00 0.00 C ATOM 513 CD1 LEU A 59 -7.112 -2.506 -2.495 1.00 0.00 C ATOM 514 CD2 LEU A 59 -5.631 -0.944 -1.222 1.00 0.00 C ATOM 0 H LEU A 59 -5.966 -4.102 1.100 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.041 -1.242 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.775 -3.346 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.083 -1.625 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.599 -3.071 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.424 -2.444 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.579 -3.491 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.882 -1.741 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.962 -0.904 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.364 -0.141 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.052 -0.825 -0.306 1.00 0.00 H new ATOM 526 N THR A 60 -8.154 -3.093 3.004 1.00 0.00 N ATOM 527 CA THR A 60 -9.171 -3.067 4.044 1.00 0.00 C ATOM 528 C THR A 60 -8.641 -2.396 5.311 1.00 0.00 C ATOM 529 O THR A 60 -9.375 -1.698 6.010 1.00 0.00 O ATOM 530 CB THR A 60 -9.657 -4.492 4.363 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.947 -5.179 3.137 1.00 0.00 O ATOM 532 CG2 THR A 60 -10.903 -4.464 5.239 1.00 0.00 C ATOM 0 H THR A 60 -7.824 -4.027 2.761 1.00 0.00 H new ATOM 0 HA THR A 60 -10.014 -2.484 3.673 1.00 0.00 H new ATOM 0 HB THR A 60 -8.869 -5.013 4.907 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.255 -6.088 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.224 -5.485 5.448 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.678 -3.955 6.176 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.701 -3.932 4.720 1.00 0.00 H new ATOM 540 N THR A 61 -7.353 -2.583 5.589 1.00 0.00 N ATOM 541 CA THR A 61 -6.726 -1.936 6.732 1.00 0.00 C ATOM 542 C THR A 61 -6.693 -0.423 6.534 1.00 0.00 C ATOM 543 O THR A 61 -6.854 0.344 7.483 1.00 0.00 O ATOM 544 CB THR A 61 -5.300 -2.453 6.951 1.00 0.00 C ATOM 545 OG1 THR A 61 -4.987 -3.463 5.979 1.00 0.00 O ATOM 546 CG2 THR A 61 -5.140 -3.020 8.357 1.00 0.00 C ATOM 0 H THR A 61 -6.729 -3.174 5.040 1.00 0.00 H new ATOM 0 HA THR A 61 -7.321 -2.175 7.613 1.00 0.00 H new ATOM 0 HB THR A 61 -4.611 -1.616 6.835 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.234 -4.003 6.299 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.120 -3.381 8.490 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.347 -2.240 9.090 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.838 -3.845 8.498 1.00 0.00 H new ATOM 554 N TYR A 62 -6.504 -0.009 5.285 1.00 0.00 N ATOM 555 CA TYR A 62 -6.515 1.403 4.922 1.00 0.00 C ATOM 556 C TYR A 62 -7.889 2.005 5.219 1.00 0.00 C ATOM 557 O TYR A 62 -8.003 3.144 5.675 1.00 0.00 O ATOM 558 CB TYR A 62 -6.170 1.541 3.436 1.00 0.00 C ATOM 559 CG TYR A 62 -5.915 2.953 2.962 1.00 0.00 C ATOM 560 CD1 TYR A 62 -4.676 3.550 3.143 1.00 0.00 C ATOM 561 CD2 TYR A 62 -6.906 3.681 2.316 1.00 0.00 C ATOM 562 CE1 TYR A 62 -4.428 4.832 2.692 1.00 0.00 C ATOM 563 CE2 TYR A 62 -6.666 4.961 1.857 1.00 0.00 C ATOM 564 CZ TYR A 62 -5.428 5.534 2.051 1.00 0.00 C ATOM 565 OH TYR A 62 -5.180 6.805 1.589 1.00 0.00 O ATOM 0 H TYR A 62 -6.340 -0.639 4.500 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.773 1.943 5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.285 0.940 3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.987 1.120 2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.892 3.003 3.645 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.880 3.239 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.457 5.282 2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.445 5.510 1.349 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.736 7.446 2.080 1.00 0.00 H new ATOM 575 N SER A 63 -8.925 1.212 4.977 1.00 0.00 N ATOM 576 CA SER A 63 -10.296 1.613 5.261 1.00 0.00 C ATOM 577 C SER A 63 -10.520 1.718 6.771 1.00 0.00 C ATOM 578 O SER A 63 -11.071 2.704 7.263 1.00 0.00 O ATOM 579 CB SER A 63 -11.270 0.594 4.651 1.00 0.00 C ATOM 580 OG SER A 63 -12.621 0.986 4.828 1.00 0.00 O ATOM 0 H SER A 63 -8.839 0.276 4.580 1.00 0.00 H new ATOM 0 HA SER A 63 -10.477 2.592 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.060 0.482 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.111 -0.381 5.111 1.00 0.00 H new ATOM 0 HG SER A 63 -13.212 0.315 4.426 1.00 0.00 H new ATOM 586 N ALA A 64 -10.056 0.706 7.498 1.00 0.00 N ATOM 587 CA ALA A 64 -10.273 0.619 8.938 1.00 0.00 C ATOM 588 C ALA A 64 -9.546 1.726 9.697 1.00 0.00 C ATOM 589 O ALA A 64 -9.953 2.105 10.793 1.00 0.00 O ATOM 590 CB ALA A 64 -9.845 -0.746 9.451 1.00 0.00 C ATOM 0 H ALA A 64 -9.523 -0.072 7.109 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.340 0.752 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.012 -0.799 10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.429 -1.521 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.787 -0.899 9.240 1.00 0.00 H new ATOM 596 N ALA A 65 -8.466 2.228 9.121 1.00 0.00 N ATOM 597 CA ALA A 65 -7.728 3.323 9.730 1.00 0.00 C ATOM 598 C ALA A 65 -8.429 4.651 9.463 1.00 0.00 C ATOM 599 O ALA A 65 -8.595 5.473 10.362 1.00 0.00 O ATOM 600 CB ALA A 65 -6.301 3.359 9.202 1.00 0.00 C ATOM 0 H ALA A 65 -8.082 1.897 8.236 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.694 3.161 10.807 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.762 4.184 9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.802 2.420 9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.316 3.499 8.121 1.00 0.00 H new ATOM 606 N LEU A 66 -8.865 4.829 8.222 1.00 0.00 N ATOM 607 CA LEU A 66 -9.476 6.077 7.779 1.00 0.00 C ATOM 608 C LEU A 66 -10.775 6.356 8.528 1.00 0.00 C ATOM 609 O LEU A 66 -11.024 7.480 8.958 1.00 0.00 O ATOM 610 CB LEU A 66 -9.756 5.993 6.277 1.00 0.00 C ATOM 611 CG LEU A 66 -9.646 7.310 5.500 1.00 0.00 C ATOM 612 CD1 LEU A 66 -9.640 7.039 4.005 1.00 0.00 C ATOM 613 CD2 LEU A 66 -10.790 8.254 5.852 1.00 0.00 C ATOM 0 H LEU A 66 -8.806 4.115 7.496 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.785 6.894 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.063 5.276 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.760 5.593 6.136 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.708 7.789 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.562 7.982 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.790 6.405 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.564 6.535 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.685 9.179 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.741 7.782 5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.763 8.476 6.919 1.00 0.00 H new ATOM 625 N LYS A 67 -11.579 5.313 8.701 1.00 0.00 N ATOM 626 CA LYS A 67 -12.917 5.442 9.288 1.00 0.00 C ATOM 627 C LYS A 67 -12.891 6.004 10.717 1.00 0.00 C ATOM 628 O LYS A 67 -13.931 6.371 11.257 1.00 0.00 O ATOM 629 CB LYS A 67 -13.632 4.082 9.288 1.00 0.00 C ATOM 630 CG LYS A 67 -12.890 3.000 10.061 1.00 0.00 C ATOM 631 CD LYS A 67 -13.660 1.686 10.090 1.00 0.00 C ATOM 632 CE LYS A 67 -14.927 1.801 10.921 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.632 0.500 11.046 1.00 0.00 N ATOM 0 H LYS A 67 -11.329 4.359 8.442 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.461 6.154 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.627 4.205 9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.767 3.752 8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.912 2.837 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.715 3.340 11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.917 1.391 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.025 0.900 10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.676 2.174 11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.594 2.532 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.490 0.624 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.895 0.155 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.005 -0.192 11.505 1.00 0.00 H new ATOM 647 N THR A 68 -11.716 6.061 11.329 1.00 0.00 N ATOM 648 CA THR A 68 -11.603 6.542 12.700 1.00 0.00 C ATOM 649 C THR A 68 -10.974 7.934 12.779 1.00 0.00 C ATOM 650 O THR A 68 -11.020 8.588 13.824 1.00 0.00 O ATOM 651 CB THR A 68 -10.807 5.554 13.572 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.585 5.171 12.919 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.635 4.310 13.874 1.00 0.00 C ATOM 0 H THR A 68 -10.833 5.782 10.902 1.00 0.00 H new ATOM 0 HA THR A 68 -12.620 6.616 13.086 1.00 0.00 H new ATOM 0 HB THR A 68 -10.568 6.056 14.509 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.538 5.597 12.038 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.052 3.626 14.491 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.542 4.597 14.407 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.904 3.816 12.940 1.00 0.00 H new ATOM 661 N ILE A 69 -10.384 8.387 11.678 1.00 0.00 N ATOM 662 CA ILE A 69 -9.664 9.657 11.672 1.00 0.00 C ATOM 663 C ILE A 69 -10.635 10.837 11.557 1.00 0.00 C ATOM 664 O ILE A 69 -11.655 10.742 10.877 1.00 0.00 O ATOM 665 CB ILE A 69 -8.638 9.721 10.516 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.750 8.475 10.515 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.784 10.976 10.624 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.997 8.247 11.810 1.00 0.00 C ATOM 0 H ILE A 69 -10.389 7.898 10.783 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.128 9.725 12.619 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.188 9.757 9.576 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.369 7.602 10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.031 8.556 9.699 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.069 11.002 9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.424 11.857 10.576 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.246 10.970 11.572 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.392 7.344 11.725 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.349 9.101 12.009 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.707 8.132 12.629 1.00 0.00 H new ATOM 680 N SER A 70 -10.317 11.936 12.236 1.00 0.00 N ATOM 681 CA SER A 70 -11.160 13.127 12.205 1.00 0.00 C ATOM 682 C SER A 70 -10.700 14.079 11.101 1.00 0.00 C ATOM 683 O SER A 70 -9.588 13.947 10.585 1.00 0.00 O ATOM 684 CB SER A 70 -11.097 13.838 13.555 1.00 0.00 C ATOM 685 OG SER A 70 -11.157 12.902 14.619 1.00 0.00 O ATOM 0 H SER A 70 -9.482 12.026 12.814 1.00 0.00 H new ATOM 0 HA SER A 70 -12.187 12.823 12.001 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.175 14.416 13.624 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.923 14.544 13.638 1.00 0.00 H new ATOM 0 HG SER A 70 -10.258 12.557 14.803 1.00 0.00 H new ATOM 691 N VAL A 71 -11.550 15.037 10.749 1.00 0.00 N ATOM 692 CA VAL A 71 -11.220 16.014 9.720 1.00 0.00 C ATOM 693 C VAL A 71 -10.302 17.089 10.288 1.00 0.00 C ATOM 694 O VAL A 71 -10.679 17.815 11.209 1.00 0.00 O ATOM 695 CB VAL A 71 -12.481 16.695 9.147 1.00 0.00 C ATOM 696 CG1 VAL A 71 -12.137 17.521 7.918 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.562 15.676 8.829 1.00 0.00 C ATOM 0 H VAL A 71 -12.475 15.157 11.163 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.720 15.474 8.917 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.873 17.367 9.911 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.041 17.992 7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.414 18.291 8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.709 16.874 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.437 16.187 8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.187 14.965 8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.839 15.143 9.739 1.00 0.00 H new ATOM 707 N GLY A 72 -9.103 17.190 9.739 1.00 0.00 N ATOM 708 CA GLY A 72 -8.152 18.166 10.229 1.00 0.00 C ATOM 709 C GLY A 72 -7.316 17.612 11.358 1.00 0.00 C ATOM 710 O GLY A 72 -6.781 18.361 12.176 1.00 0.00 O ATOM 0 H GLY A 72 -8.771 16.616 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.500 18.480 9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.685 19.053 10.572 1.00 0.00 H new ATOM 714 N GLU A 73 -7.205 16.295 11.405 1.00 0.00 N ATOM 715 CA GLU A 73 -6.434 15.630 12.439 1.00 0.00 C ATOM 716 C GLU A 73 -5.067 15.255 11.888 1.00 0.00 C ATOM 717 O GLU A 73 -4.930 14.957 10.700 1.00 0.00 O ATOM 718 CB GLU A 73 -7.157 14.381 12.929 1.00 0.00 C ATOM 719 CG GLU A 73 -6.633 13.853 14.252 1.00 0.00 C ATOM 720 CD GLU A 73 -7.260 12.534 14.652 1.00 0.00 C ATOM 721 OE1 GLU A 73 -8.502 12.475 14.790 1.00 0.00 O ATOM 722 OE2 GLU A 73 -6.510 11.556 14.850 1.00 0.00 O ATOM 0 H GLU A 73 -7.642 15.663 10.734 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.314 16.310 13.282 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.219 14.603 13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.066 13.600 12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.552 13.730 14.185 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.822 14.590 15.032 1.00 0.00 H new ATOM 729 N VAL A 74 -4.064 15.273 12.743 1.00 0.00 N ATOM 730 CA VAL A 74 -2.713 14.951 12.322 1.00 0.00 C ATOM 731 C VAL A 74 -2.406 13.485 12.587 1.00 0.00 C ATOM 732 O VAL A 74 -2.361 13.040 13.738 1.00 0.00 O ATOM 733 CB VAL A 74 -1.667 15.837 13.033 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.264 15.524 12.536 1.00 0.00 C ATOM 735 CG2 VAL A 74 -1.990 17.310 12.830 1.00 0.00 C ATOM 0 H VAL A 74 -4.157 15.506 13.732 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.653 15.146 11.251 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.705 15.618 14.100 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.455 16.161 13.051 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.032 14.478 12.737 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.208 15.709 11.463 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.243 17.920 13.338 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.983 17.540 11.765 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.976 17.526 13.242 1.00 0.00 H new ATOM 745 N ILE A 75 -2.210 12.741 11.517 1.00 0.00 N ATOM 746 CA ILE A 75 -1.893 11.330 11.607 1.00 0.00 C ATOM 747 C ILE A 75 -0.417 11.087 11.327 1.00 0.00 C ATOM 748 O ILE A 75 0.323 12.004 10.958 1.00 0.00 O ATOM 749 CB ILE A 75 -2.744 10.493 10.629 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.604 11.025 9.199 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.200 10.498 11.068 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.368 10.220 8.166 1.00 0.00 C ATOM 0 H ILE A 75 -2.266 13.097 10.563 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.124 11.016 12.625 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.382 9.465 10.642 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.952 12.058 9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.548 11.037 8.928 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.792 9.905 10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.280 10.071 12.068 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.573 11.522 11.080 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.219 10.659 7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.005 9.192 8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.430 10.229 8.410 1.00 0.00 H new ATOM 764 N ASN A 76 -0.004 9.847 11.489 1.00 0.00 N ATOM 765 CA ASN A 76 1.394 9.475 11.353 1.00 0.00 C ATOM 766 C ASN A 76 1.542 8.403 10.275 1.00 0.00 C ATOM 767 O ASN A 76 0.807 7.421 10.280 1.00 0.00 O ATOM 768 CB ASN A 76 1.899 8.950 12.701 1.00 0.00 C ATOM 769 CG ASN A 76 3.353 8.545 12.671 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.168 9.181 12.014 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.682 7.477 13.381 1.00 0.00 N ATOM 0 H ASN A 76 -0.623 9.069 11.718 1.00 0.00 H new ATOM 0 HA ASN A 76 1.984 10.343 11.058 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.758 9.720 13.460 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.295 8.093 13.000 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.649 7.153 13.396 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.969 6.979 13.913 1.00 0.00 H new ATOM 778 N ILE A 77 2.465 8.595 9.344 1.00 0.00 N ATOM 779 CA ILE A 77 2.633 7.656 8.236 1.00 0.00 C ATOM 780 C ILE A 77 4.103 7.337 8.006 1.00 0.00 C ATOM 781 O ILE A 77 4.879 8.186 7.566 1.00 0.00 O ATOM 782 CB ILE A 77 2.024 8.212 6.926 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.543 8.550 7.121 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.184 7.204 5.797 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.119 9.148 5.898 1.00 0.00 C ATOM 0 H ILE A 77 3.108 9.387 9.330 1.00 0.00 H new ATOM 0 HA ILE A 77 2.105 6.743 8.512 1.00 0.00 H new ATOM 0 HB ILE A 77 2.558 9.125 6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.008 7.643 7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.447 9.249 7.952 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.751 7.610 4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.243 7.001 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.673 6.278 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.166 9.359 6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.388 10.073 5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.057 8.443 5.069 1.00 0.00 H new ATOM 797 N THR A 78 4.485 6.113 8.319 1.00 0.00 N ATOM 798 CA THR A 78 5.824 5.641 8.020 1.00 0.00 C ATOM 799 C THR A 78 5.871 5.099 6.599 1.00 0.00 C ATOM 800 O THR A 78 5.092 4.221 6.239 1.00 0.00 O ATOM 801 CB THR A 78 6.276 4.554 9.019 1.00 0.00 C ATOM 802 OG1 THR A 78 6.293 5.095 10.346 1.00 0.00 O ATOM 803 CG2 THR A 78 7.662 4.024 8.670 1.00 0.00 C ATOM 0 H THR A 78 3.887 5.427 8.780 1.00 0.00 H new ATOM 0 HA THR A 78 6.510 6.483 8.113 1.00 0.00 H new ATOM 0 HB THR A 78 5.568 3.727 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.579 4.403 10.978 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.952 3.260 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.645 3.590 7.670 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.382 4.842 8.698 1.00 0.00 H new ATOM 811 N THR A 79 6.765 5.643 5.788 1.00 0.00 N ATOM 812 CA THR A 79 6.865 5.244 4.393 1.00 0.00 C ATOM 813 C THR A 79 8.276 4.789 4.046 1.00 0.00 C ATOM 814 O THR A 79 9.141 4.687 4.918 1.00 0.00 O ATOM 815 CB THR A 79 6.480 6.400 3.447 1.00 0.00 C ATOM 816 OG1 THR A 79 7.310 7.541 3.696 1.00 0.00 O ATOM 817 CG2 THR A 79 5.019 6.785 3.604 1.00 0.00 C ATOM 0 H THR A 79 7.431 6.361 6.072 1.00 0.00 H new ATOM 0 HA THR A 79 6.170 4.415 4.258 1.00 0.00 H new ATOM 0 HB THR A 79 6.633 6.055 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.667 7.493 4.607 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.783 7.602 2.923 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.389 5.926 3.372 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.835 7.104 4.630 1.00 0.00 H new ATOM 825 N ASP A 80 8.489 4.536 2.758 1.00 0.00 N ATOM 826 CA ASP A 80 9.790 4.147 2.219 1.00 0.00 C ATOM 827 C ASP A 80 10.882 5.146 2.608 1.00 0.00 C ATOM 828 O ASP A 80 11.989 4.755 2.973 1.00 0.00 O ATOM 829 CB ASP A 80 9.691 4.052 0.689 1.00 0.00 C ATOM 830 CG ASP A 80 11.008 3.717 0.018 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.868 4.613 -0.101 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.178 2.561 -0.419 1.00 0.00 O ATOM 0 H ASP A 80 7.756 4.596 2.051 1.00 0.00 H new ATOM 0 HA ASP A 80 10.062 3.179 2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.955 3.292 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.323 5.000 0.297 1.00 0.00 H new ATOM 837 N GLN A 81 10.560 6.436 2.548 1.00 0.00 N ATOM 838 CA GLN A 81 11.549 7.476 2.808 1.00 0.00 C ATOM 839 C GLN A 81 11.508 7.951 4.254 1.00 0.00 C ATOM 840 O GLN A 81 12.106 8.972 4.597 1.00 0.00 O ATOM 841 CB GLN A 81 11.350 8.658 1.858 1.00 0.00 C ATOM 842 CG GLN A 81 11.725 8.350 0.419 1.00 0.00 C ATOM 843 CD GLN A 81 13.189 7.996 0.266 1.00 0.00 C ATOM 844 OE1 GLN A 81 14.032 8.866 0.053 1.00 0.00 O ATOM 845 NE2 GLN A 81 13.499 6.713 0.342 1.00 0.00 N ATOM 0 H GLN A 81 9.628 6.783 2.323 1.00 0.00 H new ATOM 0 HA GLN A 81 12.532 7.039 2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.306 8.971 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.947 9.500 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.114 7.523 0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.496 9.213 -0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.770 6.022 0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.467 6.414 0.222 1.00 0.00 H new ATOM 854 N GLY A 82 10.816 7.211 5.100 1.00 0.00 N ATOM 855 CA GLY A 82 10.808 7.534 6.510 1.00 0.00 C ATOM 856 C GLY A 82 9.428 7.845 7.037 1.00 0.00 C ATOM 857 O GLY A 82 8.437 7.734 6.315 1.00 0.00 O ATOM 0 H GLY A 82 10.261 6.396 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.225 6.698 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.459 8.391 6.684 1.00 0.00 H new ATOM 861 N THR A 83 9.372 8.241 8.297 1.00 0.00 N ATOM 862 CA THR A 83 8.115 8.507 8.971 1.00 0.00 C ATOM 863 C THR A 83 7.725 9.980 8.862 1.00 0.00 C ATOM 864 O THR A 83 8.426 10.863 9.360 1.00 0.00 O ATOM 865 CB THR A 83 8.214 8.097 10.451 1.00 0.00 C ATOM 866 OG1 THR A 83 8.663 6.735 10.544 1.00 0.00 O ATOM 867 CG2 THR A 83 6.876 8.238 11.153 1.00 0.00 C ATOM 0 H THR A 83 10.196 8.387 8.880 1.00 0.00 H new ATOM 0 HA THR A 83 7.340 7.917 8.482 1.00 0.00 H new ATOM 0 HB THR A 83 8.928 8.760 10.940 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.895 6.131 10.467 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.980 7.941 12.197 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.546 9.276 11.102 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.140 7.599 10.665 1.00 0.00 H new ATOM 875 N PHE A 84 6.601 10.236 8.210 1.00 0.00 N ATOM 876 CA PHE A 84 6.122 11.593 8.006 1.00 0.00 C ATOM 877 C PHE A 84 4.823 11.818 8.767 1.00 0.00 C ATOM 878 O PHE A 84 4.172 10.866 9.203 1.00 0.00 O ATOM 879 CB PHE A 84 5.902 11.863 6.513 1.00 0.00 C ATOM 880 CG PHE A 84 7.156 11.764 5.690 1.00 0.00 C ATOM 881 CD1 PHE A 84 8.110 12.769 5.734 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.379 10.669 4.873 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.264 12.680 4.980 1.00 0.00 C ATOM 884 CE2 PHE A 84 8.531 10.576 4.116 1.00 0.00 C ATOM 885 CZ PHE A 84 9.473 11.582 4.168 1.00 0.00 C ATOM 0 H PHE A 84 6.000 9.515 7.811 1.00 0.00 H new ATOM 0 HA PHE A 84 6.877 12.283 8.383 1.00 0.00 H new ATOM 0 HB2 PHE A 84 5.169 11.154 6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.476 12.859 6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.949 13.631 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.644 9.879 4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 84 10.002 13.468 5.025 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.694 9.716 3.484 1.00 0.00 H new ATOM 0 HZ PHE A 84 10.373 11.512 3.575 1.00 0.00 H new ATOM 895 N HIS A 85 4.449 13.075 8.922 1.00 0.00 N ATOM 896 CA HIS A 85 3.219 13.426 9.609 1.00 0.00 C ATOM 897 C HIS A 85 2.266 14.137 8.656 1.00 0.00 C ATOM 898 O HIS A 85 2.649 15.089 7.978 1.00 0.00 O ATOM 899 CB HIS A 85 3.514 14.289 10.843 1.00 0.00 C ATOM 900 CG HIS A 85 4.411 15.466 10.588 1.00 0.00 C ATOM 901 ND1 HIS A 85 5.782 15.413 10.735 1.00 0.00 N ATOM 902 CD2 HIS A 85 4.127 16.734 10.207 1.00 0.00 C ATOM 903 CE1 HIS A 85 6.298 16.597 10.458 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.315 17.416 10.134 1.00 0.00 N ATOM 0 H HIS A 85 4.983 13.874 8.579 1.00 0.00 H new ATOM 0 HA HIS A 85 2.737 12.510 9.951 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.570 14.651 11.250 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.971 13.661 11.608 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.146 17.135 9.999 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.347 16.852 10.491 1.00 0.00 H new ATOM 0 HE2 HIS A 85 5.421 18.396 9.872 1.00 0.00 H new ATOM 913 N LEU A 86 1.028 13.675 8.615 1.00 0.00 N ATOM 914 CA LEU A 86 0.052 14.175 7.659 1.00 0.00 C ATOM 915 C LEU A 86 -1.141 14.762 8.395 1.00 0.00 C ATOM 916 O LEU A 86 -1.523 14.275 9.450 1.00 0.00 O ATOM 917 CB LEU A 86 -0.392 13.028 6.736 1.00 0.00 C ATOM 918 CG LEU A 86 -1.186 13.413 5.480 1.00 0.00 C ATOM 919 CD1 LEU A 86 -1.013 12.351 4.408 1.00 0.00 C ATOM 920 CD2 LEU A 86 -2.666 13.570 5.793 1.00 0.00 C ATOM 0 H LEU A 86 0.672 12.949 9.237 1.00 0.00 H new ATOM 0 HA LEU A 86 0.503 14.962 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.498 12.483 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.998 12.337 7.322 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.801 14.367 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.580 12.633 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.042 12.262 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.377 11.394 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.203 13.843 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.058 12.629 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.799 14.351 6.541 1.00 0.00 H new ATOM 932 N LYS A 87 -1.720 15.805 7.838 1.00 0.00 N ATOM 933 CA LYS A 87 -2.918 16.402 8.406 1.00 0.00 C ATOM 934 C LYS A 87 -4.075 16.216 7.437 1.00 0.00 C ATOM 935 O LYS A 87 -4.029 16.704 6.306 1.00 0.00 O ATOM 936 CB LYS A 87 -2.707 17.891 8.711 1.00 0.00 C ATOM 937 CG LYS A 87 -3.942 18.568 9.290 1.00 0.00 C ATOM 938 CD LYS A 87 -3.664 20.005 9.700 1.00 0.00 C ATOM 939 CE LYS A 87 -4.914 20.672 10.252 1.00 0.00 C ATOM 940 NZ LYS A 87 -4.646 22.039 10.774 1.00 0.00 N ATOM 0 H LYS A 87 -1.382 16.260 6.990 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.146 15.905 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.880 17.997 9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.415 18.405 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.745 18.550 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.292 18.005 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.876 20.025 10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.298 20.567 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.669 20.727 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.328 20.056 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.529 22.451 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.946 21.987 11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.276 22.637 10.008 1.00 0.00 H new ATOM 954 N THR A 88 -5.094 15.490 7.874 1.00 0.00 N ATOM 955 CA THR A 88 -6.215 15.146 7.011 1.00 0.00 C ATOM 956 C THR A 88 -6.987 16.384 6.568 1.00 0.00 C ATOM 957 O THR A 88 -7.324 17.248 7.378 1.00 0.00 O ATOM 958 CB THR A 88 -7.165 14.163 7.714 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.483 14.641 9.027 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.533 12.782 7.811 1.00 0.00 C ATOM 0 H THR A 88 -5.168 15.127 8.824 1.00 0.00 H new ATOM 0 HA THR A 88 -5.801 14.668 6.123 1.00 0.00 H new ATOM 0 HB THR A 88 -8.079 14.089 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.306 14.212 9.341 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.221 12.101 8.312 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.318 12.409 6.810 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.606 12.845 8.381 1.00 0.00 H new ATOM 968 N GLY A 89 -7.253 16.465 5.275 1.00 0.00 N ATOM 969 CA GLY A 89 -7.984 17.584 4.737 1.00 0.00 C ATOM 970 C GLY A 89 -9.424 17.227 4.448 1.00 0.00 C ATOM 971 O GLY A 89 -10.047 16.474 5.201 1.00 0.00 O ATOM 0 H GLY A 89 -6.972 15.768 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.950 18.414 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.503 17.925 3.820 1.00 0.00 H new ATOM 1101 N ALA A 98 -12.023 13.296 6.634 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.588 13.055 6.796 1.00 0.00 C ATOM 1103 C ALA A 98 -9.947 12.512 5.527 1.00 0.00 C ATOM 1104 O ALA A 98 -9.734 11.310 5.386 1.00 0.00 O ATOM 1105 CB ALA A 98 -10.336 12.113 7.966 1.00 0.00 C ATOM 0 HA ALA A 98 -10.121 14.017 7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.264 11.944 8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.726 12.557 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.837 11.162 7.782 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.627 13.400 4.605 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.040 12.984 3.348 1.00 0.00 C ATOM 1113 C TYR A 99 -7.567 13.358 3.311 1.00 0.00 C ATOM 1114 O TYR A 99 -7.210 14.526 3.439 1.00 0.00 O ATOM 1115 CB TYR A 99 -9.787 13.618 2.179 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.516 12.951 0.851 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -9.759 11.594 0.678 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -9.016 13.671 -0.223 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -9.518 10.976 -0.531 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -8.773 13.060 -1.437 1.00 0.00 C ATOM 1121 CZ TYR A 99 -9.021 11.713 -1.585 1.00 0.00 C ATOM 1122 OH TYR A 99 -8.774 11.103 -2.792 1.00 0.00 O ATOM 0 H TYR A 99 -9.763 14.406 4.702 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.124 11.901 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.857 13.583 2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.510 14.670 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.143 11.014 1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -8.814 14.726 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -9.717 9.921 -0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -8.390 13.635 -2.267 1.00 0.00 H new ATOM 0 HH TYR A 99 -8.428 11.764 -3.428 1.00 0.00 H new ATOM 1132 N MET A 100 -6.714 12.357 3.152 1.00 0.00 N ATOM 1133 CA MET A 100 -5.271 12.575 3.120 1.00 0.00 C ATOM 1134 C MET A 100 -4.845 13.259 1.822 1.00 0.00 C ATOM 1135 O MET A 100 -3.776 13.859 1.749 1.00 0.00 O ATOM 1136 CB MET A 100 -4.512 11.254 3.310 1.00 0.00 C ATOM 1137 CG MET A 100 -4.895 10.153 2.328 1.00 0.00 C ATOM 1138 SD MET A 100 -6.544 9.477 2.624 1.00 0.00 S ATOM 1139 CE MET A 100 -6.359 8.844 4.292 1.00 0.00 C ATOM 0 H MET A 100 -6.995 11.383 3.043 1.00 0.00 H new ATOM 0 HA MET A 100 -5.018 13.236 3.948 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.443 11.448 3.218 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.685 10.894 4.324 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.848 10.548 1.313 1.00 0.00 H new ATOM 0 HG3 MET A 100 -4.163 9.348 2.391 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.874 7.887 4.377 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.301 8.708 4.514 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.790 9.552 5.000 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.696 13.168 0.806 1.00 0.00 N ATOM 1150 CA GLY A 101 -5.444 13.865 -0.440 1.00 0.00 C ATOM 1151 C GLY A 101 -4.434 13.161 -1.321 1.00 0.00 C ATOM 1152 O GLY A 101 -3.647 13.810 -2.010 1.00 0.00 O ATOM 0 H GLY A 101 -6.558 12.622 0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.381 13.971 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.087 14.871 -0.221 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.449 11.837 -1.301 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.542 11.049 -2.122 1.00 0.00 C ATOM 1158 C ILE A 102 -4.257 9.817 -2.654 1.00 0.00 C ATOM 1159 O ILE A 102 -5.230 9.348 -2.064 1.00 0.00 O ATOM 1160 CB ILE A 102 -2.282 10.597 -1.337 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.663 9.645 -0.198 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.516 11.797 -0.788 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.475 9.102 0.566 1.00 0.00 C ATOM 0 H ILE A 102 -5.082 11.284 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.221 11.688 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.632 10.066 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.321 10.168 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.231 8.811 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.638 11.450 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.201 12.436 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.160 12.363 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.824 8.436 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.827 8.550 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.918 9.928 1.008 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.784 9.320 -3.780 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.273 8.072 -4.331 1.00 0.00 C ATOM 1177 C ARG A 103 -3.410 6.934 -3.814 1.00 0.00 C ATOM 1178 O ARG A 103 -2.184 7.042 -3.805 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.242 8.108 -5.860 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.422 8.836 -6.487 1.00 0.00 C ATOM 1181 CD ARG A 103 -5.236 9.026 -7.988 1.00 0.00 C ATOM 1182 NE ARG A 103 -4.639 7.852 -8.627 1.00 0.00 N ATOM 1183 CZ ARG A 103 -5.282 7.033 -9.460 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -6.567 7.233 -9.734 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -4.636 6.008 -10.012 1.00 0.00 N ATOM 0 H ARG A 103 -3.054 9.767 -4.336 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.307 7.921 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.319 8.589 -6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.218 7.085 -6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.337 8.273 -6.302 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.545 9.808 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.202 9.235 -8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.603 9.895 -8.166 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.662 7.646 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.064 8.015 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.056 6.605 -10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.651 5.851 -9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.126 5.380 -10.649 1.00 0.00 H new ATOM 1199 N THR A 104 -4.037 5.854 -3.382 1.00 0.00 N ATOM 1200 CA THR A 104 -3.300 4.747 -2.796 1.00 0.00 C ATOM 1201 C THR A 104 -3.761 3.410 -3.379 1.00 0.00 C ATOM 1202 O THR A 104 -4.888 3.283 -3.859 1.00 0.00 O ATOM 1203 CB THR A 104 -3.473 4.730 -1.260 1.00 0.00 C ATOM 1204 OG1 THR A 104 -3.444 6.072 -0.753 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.370 3.922 -0.587 1.00 0.00 C ATOM 0 H THR A 104 -5.047 5.720 -3.425 1.00 0.00 H new ATOM 0 HA THR A 104 -2.246 4.888 -3.036 1.00 0.00 H new ATOM 0 HB THR A 104 -4.433 4.264 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.038 6.141 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.520 3.930 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.398 2.895 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.401 4.363 -0.821 1.00 0.00 H new ATOM 1213 N SER A 105 -2.878 2.428 -3.334 1.00 0.00 N ATOM 1214 CA SER A 105 -3.158 1.093 -3.833 1.00 0.00 C ATOM 1215 C SER A 105 -2.365 0.084 -3.007 1.00 0.00 C ATOM 1216 O SER A 105 -1.721 0.464 -2.037 1.00 0.00 O ATOM 1217 CB SER A 105 -2.781 0.997 -5.318 1.00 0.00 C ATOM 1218 OG SER A 105 -3.128 -0.269 -5.865 1.00 0.00 O ATOM 0 H SER A 105 -1.940 2.535 -2.948 1.00 0.00 H new ATOM 0 HA SER A 105 -4.222 0.876 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.288 1.786 -5.874 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.710 1.163 -5.434 1.00 0.00 H new ATOM 0 HG SER A 105 -2.876 -0.296 -6.812 1.00 0.00 H new ATOM 1224 N ASN A 106 -2.409 -1.186 -3.379 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.667 -2.210 -2.655 1.00 0.00 C ATOM 1226 C ASN A 106 -0.409 -2.617 -3.417 1.00 0.00 C ATOM 1227 O ASN A 106 0.625 -2.900 -2.814 1.00 0.00 O ATOM 1228 CB ASN A 106 -2.548 -3.438 -2.366 1.00 0.00 C ATOM 1229 CG ASN A 106 -3.330 -3.944 -3.571 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -2.944 -3.743 -4.720 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.442 -4.609 -3.309 1.00 0.00 N ATOM 0 H ASN A 106 -2.947 -1.532 -4.173 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.363 -1.782 -1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.917 -4.244 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.250 -3.188 -1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.010 -4.974 -4.073 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.732 -4.757 -2.342 1.00 0.00 H new