USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 52 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 SER OG : rot 150:sc= -0.0616 USER MOD Set 2.1: A 82 SER OG : rot -169:sc= 2.29 USER MOD Set 2.2: A 104 THR OG1 : rot 55:sc= 1.26 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 64 THR OG1 : rot 97:sc= -0.327 USER MOD Set 4.1: A 43 SER OG : rot -126:sc= 0.533 USER MOD Set 4.2: A 44 LYS NZ :NH3+ 180:sc= 0.0152 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0.347 (180deg=0.345) USER MOD Single : A 11 GLN : amide:sc= 0.138 K(o=0.14,f=-3.9!) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0.392 (180deg=0.293) USER MOD Single : A 20 GLN : amide:sc= -0.0829 K(o=-0.083,f=-1.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -3.71! C(o=-4.3!,f=-3.7!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -3.21! C(o=-3.2!,f=-3.9!) USER MOD Single : A 37 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.2) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -110:sc= 1.01 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -157:sc= -0.817 (180deg=-1.47) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.886 K(o=0.89,f=-1.8!) USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.15) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -39:sc= 0.0176 USER MOD Single : A 89 SER OG : rot 73:sc= 0.427 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.194 USER MOD Single : A 96 HIS : no HD1:sc=-0.00699 X(o=-0.007,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 2.374 -10.763 3.617 1.00 0.00 N ATOM 61 CA LYS A 5 0.944 -10.875 3.779 1.00 0.00 C ATOM 62 C LYS A 5 0.334 -9.481 3.964 1.00 0.00 C ATOM 63 O LYS A 5 1.044 -8.490 4.111 1.00 0.00 O ATOM 64 CB LYS A 5 0.741 -11.813 4.985 1.00 0.00 C ATOM 65 CG LYS A 5 -0.725 -12.021 5.276 1.00 0.00 C ATOM 66 CD LYS A 5 -1.042 -13.194 6.210 1.00 0.00 C ATOM 67 CE LYS A 5 -1.482 -12.690 7.585 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.727 -11.892 7.522 1.00 0.00 N ATOM 0 HA LYS A 5 0.437 -11.291 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.214 -12.774 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.232 -11.392 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.125 -11.108 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.248 -12.176 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.829 -13.809 5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.162 -13.829 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.632 -13.541 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.687 -12.084 8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.993 -11.588 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.573 -11.056 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.491 -12.471 7.118 1.00 0.00 H new ATOM 78 N LEU A 6 -0.992 -9.380 3.952 1.00 0.00 N ATOM 79 CA LEU A 6 -1.798 -8.233 4.306 1.00 0.00 C ATOM 80 C LEU A 6 -2.769 -8.630 5.431 1.00 0.00 C ATOM 81 O LEU A 6 -3.059 -9.817 5.602 1.00 0.00 O ATOM 82 CB LEU A 6 -2.539 -7.709 3.081 1.00 0.00 C ATOM 83 CG LEU A 6 -2.546 -8.569 1.811 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.177 -8.669 1.109 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.228 -9.923 2.069 1.00 0.00 C ATOM 0 H LEU A 6 -1.572 -10.170 3.669 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.160 -7.426 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.575 -7.534 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.112 -6.740 2.824 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.157 -8.046 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.268 -9.294 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.843 -7.673 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.450 -9.111 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.220 -10.515 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.690 -10.458 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.258 -9.757 2.385 1.00 0.00 H new ATOM 96 N ASP A 7 -3.303 -7.673 6.198 1.00 0.00 N ATOM 97 CA ASP A 7 -4.164 -7.954 7.350 1.00 0.00 C ATOM 98 C ASP A 7 -5.615 -7.566 7.088 1.00 0.00 C ATOM 99 O ASP A 7 -6.516 -8.295 7.492 1.00 0.00 O ATOM 100 CB ASP A 7 -3.647 -7.172 8.561 1.00 0.00 C ATOM 101 CG ASP A 7 -3.521 -7.968 9.863 1.00 0.00 C ATOM 102 OD1 ASP A 7 -4.066 -9.076 10.014 1.00 0.00 O ATOM 103 OD2 ASP A 7 -2.942 -7.395 10.823 1.00 0.00 O ATOM 0 H ASP A 7 -3.149 -6.678 6.036 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.134 -9.027 7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.669 -6.760 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.314 -6.328 8.736 1.00 0.00 H new ATOM 107 N ILE A 8 -5.807 -6.436 6.397 1.00 0.00 N ATOM 108 CA ILE A 8 -7.042 -5.914 5.812 1.00 0.00 C ATOM 109 C ILE A 8 -8.199 -5.731 6.808 1.00 0.00 C ATOM 110 O ILE A 8 -8.782 -6.692 7.311 1.00 0.00 O ATOM 111 CB ILE A 8 -7.382 -6.714 4.534 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.271 -6.452 3.507 1.00 0.00 C ATOM 113 CG2 ILE A 8 -8.696 -6.226 3.949 1.00 0.00 C ATOM 114 CD1 ILE A 8 -6.471 -7.102 2.140 1.00 0.00 C ATOM 0 H ILE A 8 -5.025 -5.806 6.218 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.867 -4.881 5.510 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.464 -7.774 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.176 -5.375 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.327 -6.804 3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.927 -6.795 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.493 -6.363 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.612 -5.169 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.630 -6.853 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.531 -8.184 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.394 -6.733 1.693 1.00 0.00 H new ATOM 125 N VAL A 9 -8.577 -4.474 7.055 1.00 0.00 N ATOM 126 CA VAL A 9 -9.463 -4.043 8.131 1.00 0.00 C ATOM 127 C VAL A 9 -10.377 -2.932 7.616 1.00 0.00 C ATOM 128 O VAL A 9 -9.944 -1.803 7.408 1.00 0.00 O ATOM 129 CB VAL A 9 -8.645 -3.642 9.382 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.565 -3.270 10.552 1.00 0.00 C ATOM 131 CG2 VAL A 9 -7.711 -4.772 9.852 1.00 0.00 C ATOM 0 H VAL A 9 -8.256 -3.695 6.481 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.104 -4.866 8.448 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.047 -2.781 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.961 -2.993 11.416 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.196 -2.429 10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.193 -4.124 10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.158 -4.444 10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.303 -5.653 10.102 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.010 -5.020 9.055 1.00 0.00 H new ATOM 141 N GLU A 10 -11.649 -3.240 7.375 1.00 0.00 N ATOM 142 CA GLU A 10 -12.613 -2.242 6.944 1.00 0.00 C ATOM 143 C GLU A 10 -12.883 -1.326 8.131 1.00 0.00 C ATOM 144 O GLU A 10 -13.356 -1.771 9.179 1.00 0.00 O ATOM 145 CB GLU A 10 -13.899 -2.877 6.393 1.00 0.00 C ATOM 146 CG GLU A 10 -13.781 -3.163 4.892 1.00 0.00 C ATOM 147 CD GLU A 10 -15.071 -3.021 4.095 1.00 0.00 C ATOM 148 OE1 GLU A 10 -16.194 -2.960 4.656 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.957 -2.977 2.857 1.00 0.00 O ATOM 0 H GLU A 10 -12.034 -4.180 7.473 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.207 -1.664 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.107 -3.804 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.742 -2.210 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.037 -2.489 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.403 -4.177 4.761 1.00 0.00 H new ATOM 154 N GLN A 11 -12.512 -0.051 7.995 1.00 0.00 N ATOM 155 CA GLN A 11 -12.783 0.958 8.995 1.00 0.00 C ATOM 156 C GLN A 11 -14.177 1.557 8.739 1.00 0.00 C ATOM 157 O GLN A 11 -15.044 0.891 8.167 1.00 0.00 O ATOM 158 CB GLN A 11 -11.685 2.024 9.052 1.00 0.00 C ATOM 159 CG GLN A 11 -11.457 2.499 10.500 1.00 0.00 C ATOM 160 CD GLN A 11 -11.199 3.998 10.572 1.00 0.00 C ATOM 161 OE1 GLN A 11 -12.071 4.761 10.169 1.00 0.00 O ATOM 162 NE2 GLN A 11 -10.040 4.443 11.036 1.00 0.00 N ATOM 0 H GLN A 11 -12.012 0.302 7.179 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.781 0.492 9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.758 1.619 8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.963 2.872 8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.329 2.251 11.105 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.610 1.964 10.928 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.335 3.783 11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.853 5.445 11.065 1.00 0.00 H new ATOM 169 N ASP A 12 -14.409 2.805 9.160 1.00 0.00 N ATOM 170 CA ASP A 12 -15.714 3.456 9.110 1.00 0.00 C ATOM 171 C ASP A 12 -16.125 3.742 7.666 1.00 0.00 C ATOM 172 O ASP A 12 -17.194 3.324 7.220 1.00 0.00 O ATOM 173 CB ASP A 12 -15.650 4.765 9.908 1.00 0.00 C ATOM 174 CG ASP A 12 -17.008 5.137 10.491 1.00 0.00 C ATOM 175 OD1 ASP A 12 -17.904 5.534 9.711 1.00 0.00 O ATOM 176 OD2 ASP A 12 -17.168 5.067 11.728 1.00 0.00 O ATOM 0 H ASP A 12 -13.678 3.399 9.552 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.460 2.792 9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.923 4.665 10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.299 5.569 9.261 1.00 0.00 H new ATOM 180 N ASP A 13 -15.254 4.436 6.922 1.00 0.00 N ATOM 181 CA ASP A 13 -15.410 4.696 5.483 1.00 0.00 C ATOM 182 C ASP A 13 -14.081 4.550 4.721 1.00 0.00 C ATOM 183 O ASP A 13 -13.960 4.829 3.524 1.00 0.00 O ATOM 184 CB ASP A 13 -16.038 6.056 5.181 1.00 0.00 C ATOM 185 CG ASP A 13 -16.617 6.093 3.761 1.00 0.00 C ATOM 186 OD1 ASP A 13 -17.213 5.087 3.322 1.00 0.00 O ATOM 187 OD2 ASP A 13 -16.431 7.121 3.066 1.00 0.00 O ATOM 0 H ASP A 13 -14.403 4.841 7.311 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.101 3.931 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.826 6.265 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.288 6.839 5.292 1.00 0.00 H new ATOM 191 N LYS A 14 -13.053 4.089 5.430 1.00 0.00 N ATOM 192 CA LYS A 14 -11.691 3.915 4.963 1.00 0.00 C ATOM 193 C LYS A 14 -11.347 2.442 5.120 1.00 0.00 C ATOM 194 O LYS A 14 -11.822 1.817 6.061 1.00 0.00 O ATOM 195 CB LYS A 14 -10.779 4.915 5.708 1.00 0.00 C ATOM 196 CG LYS A 14 -10.886 4.981 7.237 1.00 0.00 C ATOM 197 CD LYS A 14 -10.302 6.284 7.807 1.00 0.00 C ATOM 198 CE LYS A 14 -8.781 6.207 7.797 1.00 0.00 C ATOM 199 NZ LYS A 14 -8.144 7.374 8.445 1.00 0.00 N ATOM 0 H LYS A 14 -13.162 3.812 6.405 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.548 4.149 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.746 4.678 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.983 5.911 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.932 4.896 7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.363 4.130 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.637 7.135 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.662 6.442 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.464 5.297 8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.432 6.134 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.112 7.245 8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.380 8.237 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.491 7.461 9.421 1.00 0.00 H new ATOM 209 N ALA A 15 -10.651 1.845 4.159 1.00 0.00 N ATOM 210 CA ALA A 15 -10.350 0.411 4.173 1.00 0.00 C ATOM 211 C ALA A 15 -8.856 0.266 4.477 1.00 0.00 C ATOM 212 O ALA A 15 -8.026 0.660 3.653 1.00 0.00 O ATOM 213 CB ALA A 15 -10.821 -0.257 2.865 1.00 0.00 C ATOM 0 H ALA A 15 -10.278 2.337 3.347 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.898 -0.121 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.588 -1.321 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.897 -0.124 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.311 0.202 2.018 1.00 0.00 H new ATOM 219 N ILE A 16 -8.522 -0.184 5.692 1.00 0.00 N ATOM 220 CA ILE A 16 -7.150 -0.240 6.194 1.00 0.00 C ATOM 221 C ILE A 16 -6.497 -1.562 5.748 1.00 0.00 C ATOM 222 O ILE A 16 -6.605 -2.601 6.406 1.00 0.00 O ATOM 223 CB ILE A 16 -7.184 -0.026 7.725 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.792 1.345 8.089 1.00 0.00 C ATOM 225 CG2 ILE A 16 -5.814 -0.143 8.407 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.204 1.362 9.557 1.00 0.00 C ATOM 0 H ILE A 16 -9.211 -0.524 6.363 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.527 0.552 5.779 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.810 -0.836 8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.067 2.136 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.657 1.547 7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.926 0.020 9.479 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.404 -1.138 8.232 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.137 0.605 7.995 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.632 2.334 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.945 0.583 9.736 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.330 1.181 10.182 1.00 0.00 H new ATOM 237 N VAL A 17 -5.770 -1.550 4.631 1.00 0.00 N ATOM 238 CA VAL A 17 -4.945 -2.659 4.167 1.00 0.00 C ATOM 239 C VAL A 17 -3.649 -2.540 4.931 1.00 0.00 C ATOM 240 O VAL A 17 -2.664 -1.942 4.498 1.00 0.00 O ATOM 241 CB VAL A 17 -4.753 -2.601 2.634 1.00 0.00 C ATOM 242 CG1 VAL A 17 -3.895 -3.780 2.133 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.099 -2.602 1.891 1.00 0.00 C ATOM 0 H VAL A 17 -5.740 -0.743 4.007 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.406 -3.629 4.352 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.236 -1.665 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.778 -3.711 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.914 -3.743 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.385 -4.720 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.921 -2.560 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.648 -3.512 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.684 -1.734 2.196 1.00 0.00 H new ATOM 253 N ARG A 18 -3.648 -3.127 6.118 1.00 0.00 N ATOM 254 CA ARG A 18 -2.380 -3.267 6.804 1.00 0.00 C ATOM 255 C ARG A 18 -1.546 -4.264 6.027 1.00 0.00 C ATOM 256 O ARG A 18 -2.099 -5.271 5.584 1.00 0.00 O ATOM 257 CB ARG A 18 -2.520 -3.670 8.268 1.00 0.00 C ATOM 258 CG ARG A 18 -3.618 -2.875 8.965 1.00 0.00 C ATOM 259 CD ARG A 18 -3.598 -3.074 10.468 1.00 0.00 C ATOM 260 NE ARG A 18 -3.956 -4.431 10.919 1.00 0.00 N ATOM 261 CZ ARG A 18 -4.729 -4.746 11.969 1.00 0.00 C ATOM 262 NH1 ARG A 18 -5.428 -3.824 12.628 1.00 0.00 N ATOM 263 NH2 ARG A 18 -4.779 -6.009 12.373 1.00 0.00 N ATOM 0 H ARG A 18 -4.466 -3.496 6.603 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.889 -2.294 6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.743 -4.735 8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.572 -3.511 8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.498 -1.816 8.738 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.589 -3.177 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.601 -2.835 10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.286 -2.362 10.923 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.578 -5.209 10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.384 -2.847 12.338 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.007 -4.095 13.423 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.235 -6.722 11.887 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.361 -6.267 13.170 1.00 0.00 H new ATOM 274 N VAL A 19 -0.252 -4.030 5.877 1.00 0.00 N ATOM 275 CA VAL A 19 0.647 -4.979 5.242 1.00 0.00 C ATOM 276 C VAL A 19 1.526 -5.580 6.342 1.00 0.00 C ATOM 277 O VAL A 19 1.716 -4.955 7.394 1.00 0.00 O ATOM 278 CB VAL A 19 1.384 -4.207 4.137 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.535 -4.988 3.485 1.00 0.00 C ATOM 280 CG2 VAL A 19 0.402 -3.858 3.009 1.00 0.00 C ATOM 0 H VAL A 19 0.205 -3.175 6.193 1.00 0.00 H new ATOM 0 HA VAL A 19 0.163 -5.827 4.757 1.00 0.00 H new ATOM 0 HB VAL A 19 1.799 -3.328 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.003 -4.373 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.275 -5.246 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.146 -5.900 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.927 -3.310 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.015 -4.775 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.404 -3.240 3.406 1.00 0.00 H new ATOM 290 N GLN A 20 2.028 -6.797 6.112 1.00 0.00 N ATOM 291 CA GLN A 20 2.983 -7.501 6.955 1.00 0.00 C ATOM 292 C GLN A 20 4.095 -8.067 6.086 1.00 0.00 C ATOM 293 O GLN A 20 3.808 -8.682 5.063 1.00 0.00 O ATOM 294 CB GLN A 20 2.307 -8.667 7.672 1.00 0.00 C ATOM 295 CG GLN A 20 1.358 -8.145 8.777 1.00 0.00 C ATOM 296 CD GLN A 20 1.571 -8.718 10.180 1.00 0.00 C ATOM 297 OE1 GLN A 20 2.505 -9.466 10.461 1.00 0.00 O ATOM 298 NE2 GLN A 20 0.726 -8.338 11.126 1.00 0.00 N ATOM 0 H GLN A 20 1.762 -7.340 5.290 1.00 0.00 H new ATOM 0 HA GLN A 20 3.379 -6.799 7.688 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.746 -9.266 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.062 -9.319 8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.459 -7.061 8.831 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.332 -8.354 8.474 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.050 -7.717 10.897 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.852 -8.666 12.084 1.00 0.00 H new ATOM 305 N GLY A 21 5.337 -7.920 6.530 1.00 0.00 N ATOM 306 CA GLY A 21 6.528 -8.331 5.814 1.00 0.00 C ATOM 307 C GLY A 21 7.093 -7.152 5.034 1.00 0.00 C ATOM 308 O GLY A 21 6.385 -6.188 4.725 1.00 0.00 O ATOM 0 H GLY A 21 5.545 -7.495 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.274 -8.706 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.290 -9.149 5.134 1.00 0.00 H new ATOM 312 N ASP A 22 8.381 -7.221 4.731 1.00 0.00 N ATOM 313 CA ASP A 22 9.030 -6.432 3.702 1.00 0.00 C ATOM 314 C ASP A 22 8.481 -6.798 2.318 1.00 0.00 C ATOM 315 O ASP A 22 7.794 -7.803 2.141 1.00 0.00 O ATOM 316 CB ASP A 22 10.557 -6.567 3.809 1.00 0.00 C ATOM 317 CG ASP A 22 11.109 -7.989 3.913 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.846 -8.632 4.953 1.00 0.00 O ATOM 319 OD2 ASP A 22 11.906 -8.409 3.046 1.00 0.00 O ATOM 0 H ASP A 22 9.022 -7.851 5.213 1.00 0.00 H new ATOM 0 HA ASP A 22 8.802 -5.377 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.004 -6.090 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.889 -6.007 4.683 1.00 0.00 H new ATOM 323 N ILE A 23 8.716 -5.911 1.350 1.00 0.00 N ATOM 324 CA ILE A 23 7.965 -5.826 0.104 1.00 0.00 C ATOM 325 C ILE A 23 8.878 -6.072 -1.095 1.00 0.00 C ATOM 326 O ILE A 23 9.690 -5.219 -1.467 1.00 0.00 O ATOM 327 CB ILE A 23 7.186 -4.497 0.073 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.526 -4.242 -1.281 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.018 -3.244 0.292 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.277 -3.375 -1.141 1.00 0.00 C ATOM 0 H ILE A 23 9.457 -5.213 1.417 1.00 0.00 H new ATOM 0 HA ILE A 23 7.218 -6.617 0.043 1.00 0.00 H new ATOM 0 HB ILE A 23 6.482 -4.643 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.237 -3.753 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.260 -5.193 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.372 -2.367 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.501 -3.294 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.778 -3.172 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.834 -3.214 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.556 -3.877 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.548 -2.414 -0.704 1.00 0.00 H new ATOM 341 N ASP A 24 8.741 -7.254 -1.690 1.00 0.00 N ATOM 342 CA ASP A 24 9.649 -7.775 -2.695 1.00 0.00 C ATOM 343 C ASP A 24 8.947 -8.561 -3.810 1.00 0.00 C ATOM 344 O ASP A 24 7.753 -8.401 -4.040 1.00 0.00 O ATOM 345 CB ASP A 24 10.708 -8.643 -2.023 1.00 0.00 C ATOM 346 CG ASP A 24 10.239 -10.022 -1.542 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.030 -10.326 -1.645 1.00 0.00 O ATOM 348 OD2 ASP A 24 11.132 -10.819 -1.182 1.00 0.00 O ATOM 0 H ASP A 24 7.972 -7.890 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 24 10.112 -6.915 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.531 -8.785 -2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.107 -8.098 -1.168 1.00 0.00 H new ATOM 352 N ALA A 25 9.708 -9.395 -4.528 1.00 0.00 N ATOM 353 CA ALA A 25 9.280 -10.296 -5.580 1.00 0.00 C ATOM 354 C ALA A 25 8.071 -11.171 -5.215 1.00 0.00 C ATOM 355 O ALA A 25 7.271 -11.448 -6.105 1.00 0.00 O ATOM 356 CB ALA A 25 10.479 -11.145 -5.976 1.00 0.00 C ATOM 0 H ALA A 25 10.714 -9.455 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 25 8.927 -9.694 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.190 -11.836 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.281 -10.498 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.827 -11.710 -5.111 1.00 0.00 H new ATOM 362 N TYR A 26 7.892 -11.571 -3.949 1.00 0.00 N ATOM 363 CA TYR A 26 6.681 -12.269 -3.525 1.00 0.00 C ATOM 364 C TYR A 26 5.491 -11.321 -3.606 1.00 0.00 C ATOM 365 O TYR A 26 4.439 -11.676 -4.135 1.00 0.00 O ATOM 366 CB TYR A 26 6.804 -12.786 -2.083 1.00 0.00 C ATOM 367 CG TYR A 26 7.725 -13.972 -1.904 1.00 0.00 C ATOM 368 CD1 TYR A 26 7.206 -15.273 -2.027 1.00 0.00 C ATOM 369 CD2 TYR A 26 9.081 -13.789 -1.573 1.00 0.00 C ATOM 370 CE1 TYR A 26 8.036 -16.386 -1.825 1.00 0.00 C ATOM 371 CE2 TYR A 26 9.927 -14.900 -1.401 1.00 0.00 C ATOM 372 CZ TYR A 26 9.405 -16.208 -1.527 1.00 0.00 C ATOM 373 OH TYR A 26 10.196 -17.310 -1.421 1.00 0.00 O ATOM 0 H TYR A 26 8.573 -11.421 -3.204 1.00 0.00 H new ATOM 0 HA TYR A 26 6.538 -13.121 -4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.158 -11.972 -1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.811 -13.059 -1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.165 -15.416 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.474 -12.791 -1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.626 -17.383 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.973 -14.754 -1.173 1.00 0.00 H new ATOM 0 HH TYR A 26 11.114 -17.035 -1.214 1.00 0.00 H new ATOM 382 N ASN A 27 5.652 -10.095 -3.104 1.00 0.00 N ATOM 383 CA ASN A 27 4.624 -9.073 -3.126 1.00 0.00 C ATOM 384 C ASN A 27 4.327 -8.689 -4.562 1.00 0.00 C ATOM 385 O ASN A 27 3.187 -8.333 -4.870 1.00 0.00 O ATOM 386 CB ASN A 27 5.070 -7.881 -2.279 1.00 0.00 C ATOM 387 CG ASN A 27 4.605 -6.538 -2.835 1.00 0.00 C ATOM 388 OD1 ASN A 27 3.747 -5.850 -2.118 1.00 0.00 O flip ATOM 389 ND2 ASN A 27 5.075 -6.035 -3.847 1.00 0.00 N flip ATOM 0 H ASN A 27 6.519 -9.787 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 27 3.698 -9.450 -2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.686 -8.000 -1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.158 -7.880 -2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.743 -6.558 -4.414 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.799 -5.093 -4.124 1.00 0.00 H new ATOM 395 N SER A 28 5.342 -8.828 -5.413 1.00 0.00 N ATOM 396 CA SER A 28 5.329 -8.379 -6.783 1.00 0.00 C ATOM 397 C SER A 28 4.222 -9.056 -7.608 1.00 0.00 C ATOM 398 O SER A 28 3.907 -8.590 -8.714 1.00 0.00 O ATOM 399 CB SER A 28 6.715 -8.595 -7.395 1.00 0.00 C ATOM 400 OG SER A 28 7.101 -7.615 -8.349 1.00 0.00 O ATOM 0 H SER A 28 6.221 -9.273 -5.148 1.00 0.00 H new ATOM 0 HA SER A 28 5.097 -7.314 -6.799 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.453 -8.612 -6.593 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.739 -9.575 -7.871 1.00 0.00 H new ATOM 0 HG SER A 28 7.996 -7.824 -8.689 1.00 0.00 H new ATOM 405 N SER A 29 3.639 -10.159 -7.113 1.00 0.00 N ATOM 406 CA SER A 29 2.290 -10.550 -7.479 1.00 0.00 C ATOM 407 C SER A 29 1.332 -10.670 -6.289 1.00 0.00 C ATOM 408 O SER A 29 0.143 -10.436 -6.500 1.00 0.00 O ATOM 409 CB SER A 29 2.284 -11.750 -8.428 1.00 0.00 C ATOM 410 OG SER A 29 3.245 -12.747 -8.111 1.00 0.00 O ATOM 0 H SER A 29 4.093 -10.792 -6.455 1.00 0.00 H new ATOM 0 HA SER A 29 1.870 -9.721 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.292 -12.201 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.464 -11.397 -9.443 1.00 0.00 H new ATOM 0 HG SER A 29 3.181 -13.481 -8.758 1.00 0.00 H new ATOM 415 N GLU A 30 1.799 -10.988 -5.068 1.00 0.00 N ATOM 416 CA GLU A 30 0.927 -11.187 -3.912 1.00 0.00 C ATOM 417 C GLU A 30 0.082 -9.936 -3.646 1.00 0.00 C ATOM 418 O GLU A 30 -1.128 -9.980 -3.856 1.00 0.00 O ATOM 419 CB GLU A 30 1.689 -11.610 -2.634 1.00 0.00 C ATOM 420 CG GLU A 30 0.672 -11.884 -1.503 1.00 0.00 C ATOM 421 CD GLU A 30 0.522 -13.290 -0.923 1.00 0.00 C ATOM 422 OE1 GLU A 30 1.071 -14.283 -1.445 1.00 0.00 O ATOM 423 OE2 GLU A 30 -0.242 -13.387 0.070 1.00 0.00 O ATOM 0 H GLU A 30 2.790 -11.112 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 30 0.269 -12.017 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.283 -12.503 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.383 -10.825 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.922 -11.219 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.308 -11.581 -1.870 1.00 0.00 H new ATOM 428 N LEU A 31 0.672 -8.834 -3.153 1.00 0.00 N ATOM 429 CA LEU A 31 -0.087 -7.632 -2.839 1.00 0.00 C ATOM 430 C LEU A 31 -0.855 -7.146 -4.050 1.00 0.00 C ATOM 431 O LEU A 31 -1.970 -6.655 -3.917 1.00 0.00 O ATOM 432 CB LEU A 31 0.863 -6.524 -2.392 1.00 0.00 C ATOM 433 CG LEU A 31 0.142 -5.251 -1.913 1.00 0.00 C ATOM 434 CD1 LEU A 31 -0.652 -5.532 -0.637 1.00 0.00 C ATOM 435 CD2 LEU A 31 1.136 -4.116 -1.666 1.00 0.00 C ATOM 0 H LEU A 31 1.672 -8.760 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.789 -7.876 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.493 -6.900 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.524 -6.268 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.546 -4.943 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.155 -4.621 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.394 -6.306 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.026 -5.870 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.599 -3.229 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.852 -4.419 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.666 -3.889 -2.591 1.00 0.00 H new ATOM 446 N LYS A 32 -0.260 -7.299 -5.229 1.00 0.00 N ATOM 447 CA LYS A 32 -0.879 -6.908 -6.472 1.00 0.00 C ATOM 448 C LYS A 32 -2.231 -7.617 -6.603 1.00 0.00 C ATOM 449 O LYS A 32 -3.218 -6.956 -6.904 1.00 0.00 O ATOM 450 CB LYS A 32 0.099 -7.226 -7.618 1.00 0.00 C ATOM 451 CG LYS A 32 -0.002 -6.126 -8.684 1.00 0.00 C ATOM 452 CD LYS A 32 0.698 -6.558 -9.970 1.00 0.00 C ATOM 453 CE LYS A 32 -0.295 -7.327 -10.838 1.00 0.00 C ATOM 454 NZ LYS A 32 0.356 -7.893 -12.024 1.00 0.00 N ATOM 0 H LYS A 32 0.671 -7.701 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.086 -5.838 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.118 -7.287 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.137 -8.196 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.050 -5.907 -8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.448 -5.207 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.072 -5.686 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.560 -7.184 -9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.748 -8.127 -10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.102 -6.662 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.346 -8.409 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.767 -7.126 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.109 -8.546 -11.728 1.00 0.00 H new ATOM 464 N GLU A 33 -2.300 -8.927 -6.348 1.00 0.00 N ATOM 465 CA GLU A 33 -3.527 -9.720 -6.304 1.00 0.00 C ATOM 466 C GLU A 33 -4.427 -9.277 -5.151 1.00 0.00 C ATOM 467 O GLU A 33 -5.597 -8.945 -5.376 1.00 0.00 O ATOM 468 CB GLU A 33 -3.192 -11.224 -6.206 1.00 0.00 C ATOM 469 CG GLU A 33 -3.369 -11.896 -7.569 1.00 0.00 C ATOM 470 CD GLU A 33 -2.851 -13.340 -7.613 1.00 0.00 C ATOM 471 OE1 GLU A 33 -3.199 -14.163 -6.728 1.00 0.00 O ATOM 472 OE2 GLU A 33 -2.174 -13.668 -8.610 1.00 0.00 O ATOM 0 H GLU A 33 -1.467 -9.484 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.077 -9.553 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.167 -11.354 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.840 -11.701 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.426 -11.890 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.848 -11.309 -8.325 1.00 0.00 H new ATOM 477 N GLN A 34 -3.888 -9.251 -3.934 1.00 0.00 N ATOM 478 CA GLN A 34 -4.577 -8.960 -2.675 1.00 0.00 C ATOM 479 C GLN A 34 -5.089 -7.518 -2.607 1.00 0.00 C ATOM 480 O GLN A 34 -5.655 -7.126 -1.587 1.00 0.00 O ATOM 481 CB GLN A 34 -3.638 -9.242 -1.483 1.00 0.00 C ATOM 482 CG GLN A 34 -3.019 -10.657 -1.472 1.00 0.00 C ATOM 483 CD GLN A 34 -3.755 -11.688 -0.614 1.00 0.00 C ATOM 484 OE1 GLN A 34 -4.971 -11.623 -0.424 1.00 0.00 O ATOM 485 NE2 GLN A 34 -3.040 -12.631 -0.015 1.00 0.00 N ATOM 0 H GLN A 34 -2.897 -9.444 -3.790 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.447 -9.614 -2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.833 -8.508 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.194 -9.096 -0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.978 -11.025 -2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.991 -10.583 -1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.034 -12.685 -0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.497 -13.302 0.603 1.00 0.00 H new ATOM 492 N LEU A 35 -4.868 -6.720 -3.652 1.00 0.00 N ATOM 493 CA LEU A 35 -5.386 -5.382 -3.799 1.00 0.00 C ATOM 494 C LEU A 35 -6.237 -5.295 -5.031 1.00 0.00 C ATOM 495 O LEU A 35 -7.334 -4.818 -4.889 1.00 0.00 O ATOM 496 CB LEU A 35 -4.296 -4.346 -3.951 1.00 0.00 C ATOM 497 CG LEU A 35 -3.551 -3.972 -2.667 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.421 -2.997 -2.995 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.500 -3.300 -1.661 1.00 0.00 C ATOM 0 H LEU A 35 -4.298 -7.011 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.954 -5.178 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.570 -4.713 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.736 -3.441 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.150 -4.886 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.892 -2.732 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.727 -3.466 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.837 -2.097 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.949 -3.043 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.916 -2.394 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.309 -3.986 -1.410 1.00 0.00 H new ATOM 510 N ARG A 36 -5.804 -5.696 -6.232 1.00 0.00 N ATOM 511 CA ARG A 36 -6.656 -5.551 -7.412 1.00 0.00 C ATOM 512 C ARG A 36 -7.983 -6.270 -7.204 1.00 0.00 C ATOM 513 O ARG A 36 -9.021 -5.772 -7.633 1.00 0.00 O ATOM 514 CB ARG A 36 -5.916 -6.032 -8.666 1.00 0.00 C ATOM 515 CG ARG A 36 -5.671 -7.547 -8.700 1.00 0.00 C ATOM 516 CD ARG A 36 -4.733 -7.899 -9.861 1.00 0.00 C ATOM 517 NE ARG A 36 -4.553 -9.352 -10.021 1.00 0.00 N ATOM 518 CZ ARG A 36 -5.466 -10.218 -10.484 1.00 0.00 C ATOM 519 NH1 ARG A 36 -6.598 -9.800 -11.049 1.00 0.00 N ATOM 520 NH2 ARG A 36 -5.229 -11.516 -10.350 1.00 0.00 N ATOM 0 H ARG A 36 -4.890 -6.114 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.887 -4.496 -7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.491 -5.747 -9.547 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.957 -5.517 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.235 -7.875 -7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.618 -8.075 -8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.132 -7.482 -10.785 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.762 -7.432 -9.694 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.647 -9.736 -9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.786 -8.801 -11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.277 -10.479 -11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.369 -11.834 -9.903 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.907 -12.196 -10.693 1.00 0.00 H new ATOM 531 N ASN A 37 -7.955 -7.405 -6.496 1.00 0.00 N ATOM 532 CA ASN A 37 -9.170 -8.113 -6.160 1.00 0.00 C ATOM 533 C ASN A 37 -9.880 -7.423 -4.996 1.00 0.00 C ATOM 534 O ASN A 37 -11.094 -7.219 -5.043 1.00 0.00 O ATOM 535 CB ASN A 37 -8.874 -9.584 -5.841 1.00 0.00 C ATOM 536 CG ASN A 37 -10.174 -10.365 -5.658 1.00 0.00 C ATOM 537 OD1 ASN A 37 -11.210 -10.027 -6.228 1.00 0.00 O ATOM 538 ND2 ASN A 37 -10.153 -11.433 -4.886 1.00 0.00 N ATOM 0 H ASN A 37 -7.101 -7.842 -6.151 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.836 -8.092 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.288 -10.026 -6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.272 -9.652 -4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.000 -11.986 -4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.289 -11.706 -4.417 1.00 0.00 H new ATOM 544 N PHE A 38 -9.133 -7.019 -3.961 1.00 0.00 N ATOM 545 CA PHE A 38 -9.733 -6.415 -2.780 1.00 0.00 C ATOM 546 C PHE A 38 -10.375 -5.079 -3.121 1.00 0.00 C ATOM 547 O PHE A 38 -11.494 -4.846 -2.706 1.00 0.00 O ATOM 548 CB PHE A 38 -8.739 -6.259 -1.632 1.00 0.00 C ATOM 549 CG PHE A 38 -9.242 -5.388 -0.494 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.259 -5.846 0.370 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.741 -4.080 -0.358 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.788 -4.985 1.350 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.271 -3.224 0.618 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.302 -3.674 1.461 1.00 0.00 C ATOM 0 H PHE A 38 -8.117 -7.102 -3.924 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.509 -7.100 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.495 -7.246 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.814 -5.833 -2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.631 -6.856 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.948 -3.735 -1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.565 -5.333 2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.887 -2.220 0.722 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.722 -3.006 2.198 1.00 0.00 H new ATOM 563 N ILE A 39 -9.738 -4.208 -3.898 1.00 0.00 N ATOM 564 CA ILE A 39 -10.344 -2.980 -4.418 1.00 0.00 C ATOM 565 C ILE A 39 -11.645 -3.216 -5.186 1.00 0.00 C ATOM 566 O ILE A 39 -12.454 -2.290 -5.274 1.00 0.00 O ATOM 567 CB ILE A 39 -9.284 -2.262 -5.266 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.482 -1.344 -4.322 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.773 -1.516 -6.518 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.092 -1.006 -4.844 1.00 0.00 C ATOM 0 H ILE A 39 -8.769 -4.335 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.647 -2.351 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.664 -3.041 -5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.038 -0.420 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.389 -1.827 -3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.923 -1.056 -7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.259 -2.220 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.484 -0.743 -6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.583 -0.357 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.519 -1.924 -4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.178 -0.494 -5.803 1.00 0.00 H new ATOM 581 N SER A 40 -11.850 -4.405 -5.749 1.00 0.00 N ATOM 582 CA SER A 40 -13.113 -4.787 -6.345 1.00 0.00 C ATOM 583 C SER A 40 -14.127 -5.006 -5.211 1.00 0.00 C ATOM 584 O SER A 40 -15.128 -4.295 -5.158 1.00 0.00 O ATOM 585 CB SER A 40 -12.866 -5.999 -7.256 1.00 0.00 C ATOM 586 OG SER A 40 -13.663 -5.917 -8.419 1.00 0.00 O ATOM 0 H SER A 40 -11.135 -5.130 -5.801 1.00 0.00 H new ATOM 0 HA SER A 40 -13.543 -4.018 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.813 -6.044 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.093 -6.919 -6.717 1.00 0.00 H new ATOM 0 HG SER A 40 -13.492 -6.696 -8.989 1.00 0.00 H new ATOM 591 N THR A 41 -13.808 -5.892 -4.261 1.00 0.00 N ATOM 592 CA THR A 41 -14.598 -6.236 -3.086 1.00 0.00 C ATOM 593 C THR A 41 -14.938 -5.008 -2.225 1.00 0.00 C ATOM 594 O THR A 41 -16.045 -4.916 -1.686 1.00 0.00 O ATOM 595 CB THR A 41 -13.786 -7.286 -2.306 1.00 0.00 C ATOM 596 OG1 THR A 41 -13.785 -8.530 -2.986 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.230 -7.514 -0.860 1.00 0.00 C ATOM 0 H THR A 41 -12.935 -6.418 -4.300 1.00 0.00 H new ATOM 0 HA THR A 41 -15.566 -6.638 -3.383 1.00 0.00 H new ATOM 0 HB THR A 41 -12.783 -6.863 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.262 -9.182 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.595 -8.271 -0.400 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.146 -6.581 -0.302 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.266 -7.852 -0.847 1.00 0.00 H new ATOM 605 N THR A 42 -13.975 -4.107 -2.011 1.00 0.00 N ATOM 606 CA THR A 42 -13.962 -3.224 -0.860 1.00 0.00 C ATOM 607 C THR A 42 -15.217 -2.361 -0.817 1.00 0.00 C ATOM 608 O THR A 42 -15.553 -1.628 -1.760 1.00 0.00 O ATOM 609 CB THR A 42 -12.665 -2.412 -0.801 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.583 -1.712 0.421 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.518 -1.408 -1.942 1.00 0.00 C ATOM 0 H THR A 42 -13.182 -3.975 -2.639 1.00 0.00 H new ATOM 0 HA THR A 42 -13.980 -3.832 0.045 1.00 0.00 H new ATOM 0 HB THR A 42 -11.858 -3.139 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.685 -0.752 0.255 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.576 -0.870 -1.834 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.527 -1.937 -2.895 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.346 -0.700 -1.912 1.00 0.00 H new ATOM 619 N SER A 43 -15.902 -2.429 0.316 1.00 0.00 N ATOM 620 CA SER A 43 -17.009 -1.566 0.661 1.00 0.00 C ATOM 621 C SER A 43 -16.466 -0.162 0.938 1.00 0.00 C ATOM 622 O SER A 43 -17.132 0.816 0.591 1.00 0.00 O ATOM 623 CB SER A 43 -17.750 -2.238 1.832 1.00 0.00 C ATOM 624 OG SER A 43 -17.765 -1.556 3.065 1.00 0.00 O ATOM 0 H SER A 43 -15.690 -3.113 1.042 1.00 0.00 H new ATOM 0 HA SER A 43 -17.737 -1.434 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 43 -18.783 -2.404 1.526 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.304 -3.219 1.995 1.00 0.00 H new ATOM 0 HG SER A 43 -17.434 -2.149 3.771 1.00 0.00 H new ATOM 629 N LYS A 44 -15.235 -0.032 1.465 1.00 0.00 N ATOM 630 CA LYS A 44 -14.694 1.274 1.845 1.00 0.00 C ATOM 631 C LYS A 44 -13.761 1.795 0.773 1.00 0.00 C ATOM 632 O LYS A 44 -12.889 1.083 0.276 1.00 0.00 O ATOM 633 CB LYS A 44 -14.018 1.267 3.226 1.00 0.00 C ATOM 634 CG LYS A 44 -15.027 1.554 4.347 1.00 0.00 C ATOM 635 CD LYS A 44 -15.822 0.323 4.719 1.00 0.00 C ATOM 636 CE LYS A 44 -17.109 0.601 5.504 1.00 0.00 C ATOM 637 NZ LYS A 44 -18.208 1.168 4.683 1.00 0.00 N ATOM 0 H LYS A 44 -14.603 -0.815 1.635 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.540 1.955 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.548 0.299 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.225 2.015 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.498 1.924 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.708 2.344 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.079 -0.216 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.188 -0.337 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.452 -0.328 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.884 1.291 6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.042 1.328 5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.901 2.071 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.452 0.503 3.922 1.00 0.00 H new ATOM 647 N LYS A 45 -13.950 3.061 0.422 1.00 0.00 N ATOM 648 CA LYS A 45 -13.218 3.711 -0.660 1.00 0.00 C ATOM 649 C LYS A 45 -11.801 4.106 -0.279 1.00 0.00 C ATOM 650 O LYS A 45 -10.939 4.077 -1.152 1.00 0.00 O ATOM 651 CB LYS A 45 -13.987 4.939 -1.158 1.00 0.00 C ATOM 652 CG LYS A 45 -15.197 4.567 -2.030 1.00 0.00 C ATOM 653 CD LYS A 45 -16.268 5.659 -1.999 1.00 0.00 C ATOM 654 CE LYS A 45 -15.726 7.042 -2.368 1.00 0.00 C ATOM 655 NZ LYS A 45 -16.595 8.111 -1.851 1.00 0.00 N ATOM 0 H LYS A 45 -14.623 3.672 0.885 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.133 2.974 -1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.327 5.522 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.314 5.577 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.870 4.405 -3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.624 3.627 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.069 5.393 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.707 5.701 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.720 7.161 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.647 7.127 -3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.202 9.037 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.548 8.010 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.650 8.043 -0.815 1.00 0.00 H new ATOM 665 N LYS A 46 -11.539 4.536 0.958 1.00 0.00 N ATOM 666 CA LYS A 46 -10.249 5.142 1.299 1.00 0.00 C ATOM 667 C LYS A 46 -9.212 4.058 1.545 1.00 0.00 C ATOM 668 O LYS A 46 -9.140 3.569 2.664 1.00 0.00 O ATOM 669 CB LYS A 46 -10.422 6.142 2.454 1.00 0.00 C ATOM 670 CG LYS A 46 -9.568 7.415 2.487 1.00 0.00 C ATOM 671 CD LYS A 46 -9.876 8.103 3.834 1.00 0.00 C ATOM 672 CE LYS A 46 -9.250 9.482 4.055 1.00 0.00 C ATOM 673 NZ LYS A 46 -9.984 10.551 3.347 1.00 0.00 N ATOM 0 H LYS A 46 -12.197 4.477 1.735 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.867 5.727 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.467 6.450 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.239 5.602 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.508 7.175 2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.812 8.070 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.958 8.200 3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.544 7.445 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.231 9.703 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.215 9.468 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.523 11.466 3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.981 10.356 2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.965 10.584 3.690 1.00 0.00 H new ATOM 683 N ILE A 47 -8.481 3.607 0.523 1.00 0.00 N ATOM 684 CA ILE A 47 -7.603 2.446 0.681 1.00 0.00 C ATOM 685 C ILE A 47 -6.323 2.927 1.359 1.00 0.00 C ATOM 686 O ILE A 47 -5.437 3.489 0.712 1.00 0.00 O ATOM 687 CB ILE A 47 -7.359 1.696 -0.649 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.648 1.468 -1.466 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.686 0.339 -0.376 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.796 0.771 -0.732 1.00 0.00 C ATOM 0 H ILE A 47 -8.479 4.021 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.081 1.696 1.312 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.707 2.335 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.005 2.435 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.396 0.878 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.519 -0.181 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.731 0.501 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.331 -0.265 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.647 0.666 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.471 -0.215 -0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.089 1.366 0.133 1.00 0.00 H new ATOM 701 N VAL A 48 -6.254 2.776 2.676 1.00 0.00 N ATOM 702 CA VAL A 48 -5.085 3.099 3.470 1.00 0.00 C ATOM 703 C VAL A 48 -4.187 1.888 3.453 1.00 0.00 C ATOM 704 O VAL A 48 -4.640 0.764 3.652 1.00 0.00 O ATOM 705 CB VAL A 48 -5.484 3.434 4.920 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.286 4.015 5.674 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.685 4.381 5.006 1.00 0.00 C ATOM 0 H VAL A 48 -7.031 2.416 3.231 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.578 3.971 3.058 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.793 2.500 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.579 4.248 6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.475 3.287 5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.949 4.925 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.918 4.579 6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.446 5.318 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.547 3.920 4.524 1.00 0.00 H new ATOM 717 N LEU A 49 -2.898 2.113 3.278 1.00 0.00 N ATOM 718 CA LEU A 49 -1.881 1.096 3.419 1.00 0.00 C ATOM 719 C LEU A 49 -1.122 1.353 4.712 1.00 0.00 C ATOM 720 O LEU A 49 -0.950 2.498 5.101 1.00 0.00 O ATOM 721 CB LEU A 49 -1.009 1.094 2.162 1.00 0.00 C ATOM 722 CG LEU A 49 -1.437 0.149 1.022 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.330 -1.324 1.417 1.00 0.00 C ATOM 724 CD2 LEU A 49 -2.845 0.460 0.503 1.00 0.00 C ATOM 0 H LEU A 49 -2.524 3.029 3.029 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.301 0.093 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.978 2.110 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.008 0.835 2.455 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.733 0.331 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.643 -1.949 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.298 -1.557 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.974 -1.518 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.099 -0.234 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.564 0.354 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.875 1.481 0.123 1.00 0.00 H new ATOM 735 N ASP A 50 -0.720 0.297 5.407 1.00 0.00 N ATOM 736 CA ASP A 50 0.113 0.349 6.623 1.00 0.00 C ATOM 737 C ASP A 50 1.424 -0.367 6.403 1.00 0.00 C ATOM 738 O ASP A 50 1.412 -1.568 6.129 1.00 0.00 O ATOM 739 CB ASP A 50 -0.512 -0.393 7.788 1.00 0.00 C ATOM 740 CG ASP A 50 0.270 -0.134 9.067 1.00 0.00 C ATOM 741 OD1 ASP A 50 -0.027 0.868 9.746 1.00 0.00 O ATOM 742 OD2 ASP A 50 1.176 -0.956 9.338 1.00 0.00 O ATOM 0 H ASP A 50 -0.968 -0.655 5.139 1.00 0.00 H new ATOM 0 HA ASP A 50 0.229 1.411 6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.546 -0.074 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.532 -1.462 7.577 1.00 0.00 H new ATOM 746 N LEU A 51 2.541 0.339 6.526 1.00 0.00 N ATOM 747 CA LEU A 51 3.850 -0.181 6.203 1.00 0.00 C ATOM 748 C LEU A 51 4.723 -0.311 7.453 1.00 0.00 C ATOM 749 O LEU A 51 5.945 -0.417 7.348 1.00 0.00 O ATOM 750 CB LEU A 51 4.468 0.660 5.072 1.00 0.00 C ATOM 751 CG LEU A 51 3.634 0.829 3.778 1.00 0.00 C ATOM 752 CD1 LEU A 51 2.989 -0.448 3.223 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.555 1.911 3.868 1.00 0.00 C ATOM 0 H LEU A 51 2.556 1.303 6.859 1.00 0.00 H new ATOM 0 HA LEU A 51 3.768 -1.200 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.682 1.653 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.424 0.212 4.801 1.00 0.00 H new ATOM 0 HG LEU A 51 4.408 1.138 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.431 -0.210 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.766 -1.176 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.311 -0.866 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.016 1.967 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.858 1.664 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.022 2.874 4.077 1.00 0.00 H new ATOM 764 N SER A 52 4.096 -0.380 8.631 1.00 0.00 N ATOM 765 CA SER A 52 4.761 -0.492 9.921 1.00 0.00 C ATOM 766 C SER A 52 5.652 -1.737 9.991 1.00 0.00 C ATOM 767 O SER A 52 6.667 -1.740 10.691 1.00 0.00 O ATOM 768 CB SER A 52 3.673 -0.537 10.997 1.00 0.00 C ATOM 769 OG SER A 52 4.151 -0.166 12.270 1.00 0.00 O ATOM 0 H SER A 52 3.079 -0.358 8.709 1.00 0.00 H new ATOM 0 HA SER A 52 5.417 0.364 10.075 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.858 0.128 10.712 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.260 -1.544 11.048 1.00 0.00 H new ATOM 0 HG SER A 52 3.419 -0.210 12.920 1.00 0.00 H new ATOM 774 N SER A 53 5.306 -2.802 9.266 1.00 0.00 N ATOM 775 CA SER A 53 6.021 -4.065 9.237 1.00 0.00 C ATOM 776 C SER A 53 6.945 -4.181 8.012 1.00 0.00 C ATOM 777 O SER A 53 7.565 -5.226 7.819 1.00 0.00 O ATOM 778 CB SER A 53 4.956 -5.173 9.303 1.00 0.00 C ATOM 779 OG SER A 53 4.639 -5.464 10.652 1.00 0.00 O ATOM 0 H SER A 53 4.485 -2.801 8.660 1.00 0.00 H new ATOM 0 HA SER A 53 6.698 -4.151 10.087 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.059 -4.858 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.323 -6.071 8.806 1.00 0.00 H new ATOM 0 HG SER A 53 3.959 -6.169 10.683 1.00 0.00 H new ATOM 784 N VAL A 54 7.060 -3.143 7.173 1.00 0.00 N ATOM 785 CA VAL A 54 7.818 -3.212 5.931 1.00 0.00 C ATOM 786 C VAL A 54 9.249 -2.747 6.231 1.00 0.00 C ATOM 787 O VAL A 54 9.548 -1.554 6.165 1.00 0.00 O ATOM 788 CB VAL A 54 7.129 -2.367 4.835 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.823 -2.500 3.480 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.678 -2.784 4.579 1.00 0.00 C ATOM 0 H VAL A 54 6.628 -2.235 7.342 1.00 0.00 H new ATOM 0 HA VAL A 54 7.856 -4.231 5.546 1.00 0.00 H new ATOM 0 HB VAL A 54 7.183 -1.350 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.303 -1.888 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.856 -2.164 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.806 -3.543 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.250 -2.153 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.650 -3.826 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.100 -2.670 5.496 1.00 0.00 H new ATOM 800 N SER A 55 10.135 -3.668 6.608 1.00 0.00 N ATOM 801 CA SER A 55 11.515 -3.384 6.947 1.00 0.00 C ATOM 802 C SER A 55 12.413 -3.098 5.734 1.00 0.00 C ATOM 803 O SER A 55 13.419 -2.404 5.873 1.00 0.00 O ATOM 804 CB SER A 55 11.989 -4.611 7.712 1.00 0.00 C ATOM 805 OG SER A 55 11.489 -4.548 9.036 1.00 0.00 O ATOM 0 H SER A 55 9.899 -4.657 6.686 1.00 0.00 H new ATOM 0 HA SER A 55 11.578 -2.467 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.641 -5.519 7.220 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.078 -4.651 7.722 1.00 0.00 H new ATOM 0 HG SER A 55 11.788 -5.336 9.536 1.00 0.00 H new ATOM 810 N TYR A 56 12.058 -3.602 4.554 1.00 0.00 N ATOM 811 CA TYR A 56 12.806 -3.481 3.309 1.00 0.00 C ATOM 812 C TYR A 56 11.798 -3.294 2.175 1.00 0.00 C ATOM 813 O TYR A 56 10.642 -3.694 2.310 1.00 0.00 O ATOM 814 CB TYR A 56 13.687 -4.740 3.141 1.00 0.00 C ATOM 815 CG TYR A 56 14.136 -5.041 1.723 1.00 0.00 C ATOM 816 CD1 TYR A 56 13.299 -5.782 0.867 1.00 0.00 C ATOM 817 CD2 TYR A 56 15.376 -4.573 1.253 1.00 0.00 C ATOM 818 CE1 TYR A 56 13.680 -6.024 -0.458 1.00 0.00 C ATOM 819 CE2 TYR A 56 15.771 -4.819 -0.076 1.00 0.00 C ATOM 820 CZ TYR A 56 14.919 -5.551 -0.936 1.00 0.00 C ATOM 821 OH TYR A 56 15.278 -5.828 -2.216 1.00 0.00 O ATOM 0 H TYR A 56 11.195 -4.133 4.437 1.00 0.00 H new ATOM 0 HA TYR A 56 13.475 -2.620 3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.572 -4.629 3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.135 -5.601 3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.359 -6.165 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.028 -4.022 1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.023 -6.574 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.720 -4.451 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 56 16.157 -5.436 -2.402 1.00 0.00 H new ATOM 830 N MET A 57 12.229 -2.685 1.068 1.00 0.00 N ATOM 831 CA MET A 57 11.477 -2.536 -0.169 1.00 0.00 C ATOM 832 C MET A 57 12.408 -2.728 -1.355 1.00 0.00 C ATOM 833 O MET A 57 13.472 -2.108 -1.409 1.00 0.00 O ATOM 834 CB MET A 57 10.837 -1.140 -0.218 1.00 0.00 C ATOM 835 CG MET A 57 10.055 -0.850 -1.511 1.00 0.00 C ATOM 836 SD MET A 57 9.277 0.784 -1.570 1.00 0.00 S ATOM 837 CE MET A 57 7.815 0.329 -2.538 1.00 0.00 C ATOM 0 H MET A 57 13.156 -2.264 1.013 1.00 0.00 H new ATOM 0 HA MET A 57 10.689 -3.288 -0.211 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.164 -1.031 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.619 -0.390 -0.104 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.733 -0.946 -2.359 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.283 -1.610 -1.632 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.416 1.215 -3.032 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.091 -0.412 -3.288 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.057 -0.090 -1.877 1.00 0.00 H new ATOM 845 N ASP A 58 11.976 -3.539 -2.310 1.00 0.00 N ATOM 846 CA ASP A 58 12.586 -3.719 -3.622 1.00 0.00 C ATOM 847 C ASP A 58 11.854 -2.831 -4.634 1.00 0.00 C ATOM 848 O ASP A 58 10.727 -2.395 -4.375 1.00 0.00 O ATOM 849 CB ASP A 58 12.391 -5.204 -3.976 1.00 0.00 C ATOM 850 CG ASP A 58 13.103 -5.759 -5.210 1.00 0.00 C ATOM 851 OD1 ASP A 58 12.824 -5.315 -6.339 1.00 0.00 O ATOM 852 OD2 ASP A 58 13.852 -6.755 -5.055 1.00 0.00 O ATOM 0 H ASP A 58 11.147 -4.120 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 58 13.642 -3.449 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.709 -5.794 -3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.322 -5.377 -4.104 1.00 0.00 H new ATOM 856 N SER A 59 12.431 -2.642 -5.822 1.00 0.00 N ATOM 857 CA SER A 59 11.745 -2.090 -6.995 1.00 0.00 C ATOM 858 C SER A 59 10.429 -2.820 -7.296 1.00 0.00 C ATOM 859 O SER A 59 9.505 -2.211 -7.843 1.00 0.00 O ATOM 860 CB SER A 59 12.660 -2.148 -8.228 1.00 0.00 C ATOM 861 OG SER A 59 13.008 -0.841 -8.642 1.00 0.00 O ATOM 0 H SER A 59 13.408 -2.873 -6.001 1.00 0.00 H new ATOM 0 HA SER A 59 11.505 -1.052 -6.763 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.561 -2.715 -7.994 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.155 -2.672 -9.040 1.00 0.00 H new ATOM 0 HG SER A 59 13.592 -0.891 -9.427 1.00 0.00 H new ATOM 866 N ALA A 60 10.327 -4.093 -6.900 1.00 0.00 N ATOM 867 CA ALA A 60 9.146 -4.916 -7.004 1.00 0.00 C ATOM 868 C ALA A 60 7.958 -4.185 -6.401 1.00 0.00 C ATOM 869 O ALA A 60 6.945 -4.003 -7.077 1.00 0.00 O ATOM 870 CB ALA A 60 9.413 -6.218 -6.248 1.00 0.00 C ATOM 0 H ALA A 60 11.112 -4.590 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 60 8.917 -5.132 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.535 -6.861 -6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.268 -6.728 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.626 -5.995 -5.203 1.00 0.00 H new ATOM 876 N GLY A 61 8.140 -3.719 -5.164 1.00 0.00 N ATOM 877 CA GLY A 61 7.211 -2.914 -4.413 1.00 0.00 C ATOM 878 C GLY A 61 6.582 -1.840 -5.278 1.00 0.00 C ATOM 879 O GLY A 61 5.371 -1.812 -5.488 1.00 0.00 O ATOM 0 H GLY A 61 8.994 -3.912 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.430 -3.550 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.727 -2.450 -3.572 1.00 0.00 H new ATOM 883 N LEU A 62 7.406 -0.910 -5.755 1.00 0.00 N ATOM 884 CA LEU A 62 6.888 0.376 -6.196 1.00 0.00 C ATOM 885 C LEU A 62 6.070 0.226 -7.467 1.00 0.00 C ATOM 886 O LEU A 62 5.018 0.864 -7.554 1.00 0.00 O ATOM 887 CB LEU A 62 7.922 1.517 -6.325 1.00 0.00 C ATOM 888 CG LEU A 62 9.380 1.135 -6.629 1.00 0.00 C ATOM 889 CD1 LEU A 62 10.131 2.290 -7.297 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.089 0.779 -5.318 1.00 0.00 C ATOM 0 H LEU A 62 8.416 -1.022 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 62 6.243 0.700 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.581 2.190 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.912 2.084 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 62 9.375 0.284 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.159 1.988 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.639 2.550 -8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.131 3.156 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.124 0.507 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.068 1.638 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.581 -0.062 -4.846 1.00 0.00 H new ATOM 901 N GLY A 63 6.499 -0.641 -8.387 1.00 0.00 N ATOM 902 CA GLY A 63 5.764 -0.965 -9.600 1.00 0.00 C ATOM 903 C GLY A 63 4.455 -1.694 -9.295 1.00 0.00 C ATOM 904 O GLY A 63 3.473 -1.541 -10.027 1.00 0.00 O ATOM 0 H GLY A 63 7.383 -1.143 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.550 -0.049 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.384 -1.587 -10.245 1.00 0.00 H new ATOM 908 N THR A 64 4.417 -2.454 -8.200 1.00 0.00 N ATOM 909 CA THR A 64 3.259 -3.226 -7.782 1.00 0.00 C ATOM 910 C THR A 64 2.291 -2.313 -7.055 1.00 0.00 C ATOM 911 O THR A 64 1.102 -2.599 -7.050 1.00 0.00 O ATOM 912 CB THR A 64 3.718 -4.427 -6.930 1.00 0.00 C ATOM 913 OG1 THR A 64 4.059 -5.446 -7.844 1.00 0.00 O ATOM 914 CG2 THR A 64 2.684 -4.989 -5.951 1.00 0.00 C ATOM 0 H THR A 64 5.212 -2.548 -7.568 1.00 0.00 H new ATOM 0 HA THR A 64 2.731 -3.636 -8.643 1.00 0.00 H new ATOM 0 HB THR A 64 4.538 -4.079 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.028 -5.441 -7.993 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.117 -5.829 -5.407 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.391 -4.212 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.807 -5.327 -6.503 1.00 0.00 H new ATOM 922 N LEU A 65 2.742 -1.194 -6.483 1.00 0.00 N ATOM 923 CA LEU A 65 1.836 -0.266 -5.854 1.00 0.00 C ATOM 924 C LEU A 65 1.308 0.728 -6.865 1.00 0.00 C ATOM 925 O LEU A 65 0.099 0.932 -6.924 1.00 0.00 O ATOM 926 CB LEU A 65 2.568 0.352 -4.674 1.00 0.00 C ATOM 927 CG LEU A 65 2.380 -0.557 -3.445 1.00 0.00 C ATOM 928 CD1 LEU A 65 3.708 -0.808 -2.739 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.317 0.058 -2.533 1.00 0.00 C ATOM 0 H LEU A 65 3.724 -0.921 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 65 0.943 -0.758 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.628 0.463 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.180 1.350 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 65 2.026 -1.540 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.545 -1.453 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.400 -1.292 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.130 0.141 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.176 -0.578 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.641 1.048 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.376 0.142 -3.076 1.00 0.00 H new ATOM 940 N VAL A 66 2.156 1.316 -7.705 1.00 0.00 N ATOM 941 CA VAL A 66 1.714 2.325 -8.655 1.00 0.00 C ATOM 942 C VAL A 66 0.679 1.799 -9.661 1.00 0.00 C ATOM 943 O VAL A 66 -0.189 2.552 -10.095 1.00 0.00 O ATOM 944 CB VAL A 66 2.971 2.915 -9.301 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.619 1.985 -10.303 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.659 4.261 -9.964 1.00 0.00 C ATOM 0 H VAL A 66 3.154 1.109 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 66 1.167 3.115 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 66 3.687 3.061 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.504 2.463 -10.724 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.908 1.059 -9.806 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.912 1.762 -11.102 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.566 4.662 -10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.901 4.120 -10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.288 4.959 -9.213 1.00 0.00 H new ATOM 956 N VAL A 67 0.707 0.515 -10.021 1.00 0.00 N ATOM 957 CA VAL A 67 -0.301 -0.083 -10.901 1.00 0.00 C ATOM 958 C VAL A 67 -1.689 -0.071 -10.243 1.00 0.00 C ATOM 959 O VAL A 67 -2.707 0.098 -10.923 1.00 0.00 O ATOM 960 CB VAL A 67 0.209 -1.470 -11.338 1.00 0.00 C ATOM 961 CG1 VAL A 67 -0.049 -2.542 -10.289 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.410 -1.882 -12.675 1.00 0.00 C ATOM 0 H VAL A 67 1.426 -0.139 -9.712 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.441 0.506 -11.807 1.00 0.00 H new ATOM 0 HB VAL A 67 1.289 -1.382 -11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.329 -3.500 -10.647 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.459 -2.274 -9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.121 -2.621 -10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.035 -2.864 -12.962 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.495 -1.923 -12.577 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.142 -1.153 -13.440 1.00 0.00 H new ATOM 972 N ILE A 68 -1.740 -0.164 -8.914 1.00 0.00 N ATOM 973 CA ILE A 68 -2.973 -0.105 -8.150 1.00 0.00 C ATOM 974 C ILE A 68 -3.546 1.322 -8.183 1.00 0.00 C ATOM 975 O ILE A 68 -4.732 1.506 -7.916 1.00 0.00 O ATOM 976 CB ILE A 68 -2.744 -0.602 -6.702 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.998 -1.949 -6.589 1.00 0.00 C ATOM 978 CG2 ILE A 68 -4.079 -0.725 -5.951 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.755 -3.214 -6.986 1.00 0.00 C ATOM 0 H ILE A 68 -0.909 -0.284 -8.335 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.707 -0.770 -8.605 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.103 0.157 -6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.100 -1.888 -7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.669 -2.065 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.894 -1.076 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.567 0.249 -5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.724 -1.435 -6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.108 -4.081 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.638 -3.322 -6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.060 -3.143 -8.030 1.00 0.00 H new ATOM 990 N LEU A 69 -2.761 2.354 -8.529 1.00 0.00 N ATOM 991 CA LEU A 69 -3.279 3.721 -8.605 1.00 0.00 C ATOM 992 C LEU A 69 -4.384 3.801 -9.650 1.00 0.00 C ATOM 993 O LEU A 69 -5.393 4.484 -9.464 1.00 0.00 O ATOM 994 CB LEU A 69 -2.162 4.706 -8.971 1.00 0.00 C ATOM 995 CG LEU A 69 -2.595 6.177 -8.853 1.00 0.00 C ATOM 996 CD1 LEU A 69 -2.914 6.587 -7.413 1.00 0.00 C ATOM 997 CD2 LEU A 69 -1.529 7.094 -9.455 1.00 0.00 C ATOM 0 H LEU A 69 -1.771 2.265 -8.759 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.679 3.989 -7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.305 4.532 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.833 4.511 -9.992 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.521 6.284 -9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.214 7.635 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.726 5.969 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.029 6.449 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.849 8.132 -9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.588 6.957 -8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.390 6.848 -10.508 1.00 0.00 H new ATOM 1008 N LYS A 70 -4.190 3.102 -10.768 1.00 0.00 N ATOM 1009 CA LYS A 70 -5.251 2.888 -11.724 1.00 0.00 C ATOM 1010 C LYS A 70 -6.281 1.954 -11.127 1.00 0.00 C ATOM 1011 O LYS A 70 -7.419 2.372 -11.089 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.679 2.504 -13.078 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.822 2.261 -14.067 1.00 0.00 C ATOM 1014 CD LYS A 70 -5.333 2.065 -15.509 1.00 0.00 C ATOM 1015 CE LYS A 70 -6.410 2.353 -16.571 1.00 0.00 C ATOM 1016 NZ LYS A 70 -6.546 3.794 -16.893 1.00 0.00 N ATOM 0 H LYS A 70 -3.299 2.676 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.799 3.807 -11.934 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.027 3.296 -13.447 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.068 1.606 -12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.383 1.380 -13.756 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.510 3.106 -14.034 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.478 2.717 -15.685 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.982 1.040 -15.628 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.168 1.806 -17.482 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.369 1.975 -16.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.286 3.921 -17.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.806 4.319 -16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.642 4.155 -17.259 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.958 0.749 -10.659 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.964 -0.213 -10.204 1.00 0.00 C ATOM 1028 C ASP A 71 -7.959 0.391 -9.199 1.00 0.00 C ATOM 1029 O ASP A 71 -9.160 0.153 -9.293 1.00 0.00 O ATOM 1030 CB ASP A 71 -6.323 -1.454 -9.572 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.566 -2.389 -10.513 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -5.859 -2.428 -11.728 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -4.607 -3.051 -10.065 1.00 0.00 O ATOM 0 H ASP A 71 -4.998 0.412 -10.584 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.510 -0.499 -11.103 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.634 -1.123 -8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.107 -2.029 -9.079 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.498 1.216 -8.257 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.344 1.960 -7.342 1.00 0.00 C ATOM 1039 C ALA A 72 -9.293 2.854 -8.142 1.00 0.00 C ATOM 1040 O ALA A 72 -10.508 2.749 -7.996 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.450 2.764 -6.383 1.00 0.00 C ATOM 0 H ALA A 72 -6.503 1.384 -8.112 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.959 1.288 -6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.074 3.328 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.811 2.081 -5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.830 3.454 -6.956 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.754 3.690 -9.024 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.473 4.546 -9.966 1.00 0.00 C ATOM 1049 C LYS A 73 -10.335 3.761 -10.974 1.00 0.00 C ATOM 1050 O LYS A 73 -11.228 4.358 -11.568 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.406 5.409 -10.663 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.889 6.708 -11.322 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.530 6.812 -12.816 1.00 0.00 C ATOM 1054 CE LYS A 73 -9.703 6.302 -13.667 1.00 0.00 C ATOM 1055 NZ LYS A 73 -9.777 6.988 -14.971 1.00 0.00 N ATOM 0 H LYS A 73 -7.743 3.795 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.196 5.163 -9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.643 5.664 -9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.922 4.800 -11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.971 6.781 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.456 7.557 -10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.303 7.846 -13.074 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.634 6.227 -13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.596 5.229 -13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.637 6.452 -13.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.582 6.615 -15.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.905 8.009 -14.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.897 6.824 -15.500 1.00 0.00 H new ATOM 1065 N ILE A 74 -10.139 2.451 -11.175 1.00 0.00 N ATOM 1066 CA ILE A 74 -11.032 1.592 -11.959 1.00 0.00 C ATOM 1067 C ILE A 74 -12.341 1.385 -11.179 1.00 0.00 C ATOM 1068 O ILE A 74 -13.390 1.209 -11.796 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.335 0.257 -12.358 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -9.119 0.514 -13.281 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -11.301 -0.716 -13.037 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -8.326 -0.730 -13.696 1.00 0.00 C ATOM 0 H ILE A 74 -9.339 1.950 -10.789 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.278 2.079 -12.902 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.988 -0.200 -11.431 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.470 1.016 -14.183 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.442 1.202 -12.776 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.771 -1.632 -13.297 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.119 -0.951 -12.356 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.702 -0.259 -13.942 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.498 -0.435 -14.341 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.936 -1.226 -12.807 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.980 -1.415 -14.236 1.00 0.00 H new ATOM 1083 N ASN A 75 -12.301 1.426 -9.839 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.481 1.274 -8.982 1.00 0.00 C ATOM 1085 C ASN A 75 -13.829 2.552 -8.210 1.00 0.00 C ATOM 1086 O ASN A 75 -14.631 2.511 -7.271 1.00 0.00 O ATOM 1087 CB ASN A 75 -13.313 0.057 -8.044 1.00 0.00 C ATOM 1088 CG ASN A 75 -14.657 -0.592 -7.679 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -15.698 -0.304 -8.261 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.698 -1.469 -6.692 1.00 0.00 N ATOM 0 H ASN A 75 -11.437 1.567 -9.316 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.334 1.088 -9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.674 -0.683 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.805 0.372 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.585 -1.895 -6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.842 -1.720 -6.197 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.225 3.690 -8.559 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.379 4.971 -7.876 1.00 0.00 C ATOM 1098 C GLY A 76 -13.020 4.863 -6.395 1.00 0.00 C ATOM 1099 O GLY A 76 -13.821 5.212 -5.528 1.00 0.00 O ATOM 0 H GLY A 76 -12.591 3.744 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.743 5.717 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.407 5.317 -7.978 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.842 4.309 -6.093 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.313 4.210 -4.732 1.00 0.00 C ATOM 1105 C LYS A 77 -10.161 5.209 -4.554 1.00 0.00 C ATOM 1106 O LYS A 77 -9.496 5.578 -5.533 1.00 0.00 O ATOM 1107 CB LYS A 77 -10.890 2.755 -4.448 1.00 0.00 C ATOM 1108 CG LYS A 77 -11.966 1.694 -4.754 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.107 1.671 -3.733 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.202 0.659 -4.108 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.328 1.286 -4.834 1.00 0.00 N ATOM 0 H LYS A 77 -11.221 3.911 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.081 4.471 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.001 2.529 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.607 2.673 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.379 1.882 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.497 0.711 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.707 1.423 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.545 2.666 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.769 -0.128 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.578 0.183 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.998 0.551 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.814 1.959 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.965 1.790 -5.668 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.916 5.626 -3.312 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.796 6.484 -2.923 1.00 0.00 C ATOM 1123 C GLU A 78 -7.586 5.592 -2.624 1.00 0.00 C ATOM 1124 O GLU A 78 -7.730 4.371 -2.543 1.00 0.00 O ATOM 1125 CB GLU A 78 -9.159 7.276 -1.649 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.637 8.717 -1.662 1.00 0.00 C ATOM 1127 CD GLU A 78 -9.525 9.685 -2.449 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -10.328 9.230 -3.294 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -9.462 10.905 -2.195 1.00 0.00 O ATOM 0 H GLU A 78 -10.510 5.368 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.571 7.183 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.243 7.291 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.754 6.758 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.549 9.072 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.635 8.727 -2.090 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.413 6.177 -2.371 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.217 5.419 -2.017 1.00 0.00 C ATOM 1136 C PHE A 79 -4.222 6.272 -1.215 1.00 0.00 C ATOM 1137 O PHE A 79 -3.821 7.344 -1.675 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.589 4.890 -3.306 1.00 0.00 C ATOM 1139 CG PHE A 79 -3.124 4.573 -3.148 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.716 3.563 -2.261 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.167 5.361 -3.807 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.351 3.316 -2.066 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.802 5.140 -3.581 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.396 4.105 -2.723 1.00 0.00 C ATOM 0 H PHE A 79 -6.269 7.186 -2.406 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.491 4.585 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.119 3.992 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.714 5.629 -4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.453 2.978 -1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.483 6.137 -4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.034 2.518 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.065 5.763 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.656 3.916 -2.569 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.824 5.811 -0.026 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.925 6.492 0.909 1.00 0.00 C ATOM 1155 C ILE A 80 -1.956 5.430 1.463 1.00 0.00 C ATOM 1156 O ILE A 80 -2.348 4.270 1.580 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.756 7.187 2.022 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.832 8.159 1.461 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.808 7.935 2.980 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.922 8.527 2.474 1.00 0.00 C ATOM 0 H ILE A 80 -4.136 4.907 0.328 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.347 7.278 0.422 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.295 6.406 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.342 9.071 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.299 7.704 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.391 8.423 3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.115 7.226 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.247 8.686 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.636 9.208 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.439 7.623 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.467 9.012 3.338 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.725 5.797 1.834 1.00 0.00 N ATOM 1172 CA LEU A 81 0.235 4.955 2.554 1.00 0.00 C ATOM 1173 C LEU A 81 0.431 5.556 3.935 1.00 0.00 C ATOM 1174 O LEU A 81 0.565 6.774 4.044 1.00 0.00 O ATOM 1175 CB LEU A 81 1.621 5.013 1.881 1.00 0.00 C ATOM 1176 CG LEU A 81 1.724 4.592 0.412 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.194 4.665 -0.008 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.210 3.175 0.177 1.00 0.00 C ATOM 0 H LEU A 81 -0.356 6.726 1.633 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.143 3.933 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.989 6.036 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.299 4.383 2.457 1.00 0.00 H new ATOM 0 HG LEU A 81 1.105 5.267 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.289 4.369 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.557 5.685 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.784 3.993 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.304 2.924 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.795 2.473 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.162 3.114 0.472 1.00 0.00 H new ATOM 1189 N SER A 82 0.573 4.725 4.962 1.00 0.00 N ATOM 1190 CA SER A 82 0.826 5.190 6.311 1.00 0.00 C ATOM 1191 C SER A 82 1.804 4.279 7.045 1.00 0.00 C ATOM 1192 O SER A 82 2.035 3.140 6.643 1.00 0.00 O ATOM 1193 CB SER A 82 -0.522 5.304 7.028 1.00 0.00 C ATOM 1194 OG SER A 82 -0.895 6.661 7.094 1.00 0.00 O ATOM 0 H SER A 82 0.515 3.710 4.877 1.00 0.00 H new ATOM 0 HA SER A 82 1.306 6.169 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.281 4.731 6.496 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.451 4.884 8.031 1.00 0.00 H new ATOM 0 HG SER A 82 -1.656 6.762 7.704 1.00 0.00 H new ATOM 1199 N SER A 83 2.358 4.773 8.152 1.00 0.00 N ATOM 1200 CA SER A 83 3.322 4.071 8.995 1.00 0.00 C ATOM 1201 C SER A 83 4.623 3.699 8.258 1.00 0.00 C ATOM 1202 O SER A 83 5.317 2.736 8.600 1.00 0.00 O ATOM 1203 CB SER A 83 2.618 2.900 9.704 1.00 0.00 C ATOM 1204 OG SER A 83 3.283 2.575 10.910 1.00 0.00 O ATOM 0 H SER A 83 2.139 5.707 8.498 1.00 0.00 H new ATOM 0 HA SER A 83 3.678 4.750 9.770 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.582 3.165 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.598 2.030 9.048 1.00 0.00 H new ATOM 0 HG SER A 83 2.636 2.219 11.555 1.00 0.00 H new ATOM 1209 N LEU A 84 4.983 4.469 7.225 1.00 0.00 N ATOM 1210 CA LEU A 84 6.180 4.221 6.433 1.00 0.00 C ATOM 1211 C LEU A 84 7.428 4.351 7.293 1.00 0.00 C ATOM 1212 O LEU A 84 7.621 5.353 7.996 1.00 0.00 O ATOM 1213 CB LEU A 84 6.260 5.183 5.243 1.00 0.00 C ATOM 1214 CG LEU A 84 5.358 4.746 4.085 1.00 0.00 C ATOM 1215 CD1 LEU A 84 5.128 5.908 3.130 1.00 0.00 C ATOM 1216 CD2 LEU A 84 5.980 3.594 3.291 1.00 0.00 C ATOM 0 H LEU A 84 4.448 5.282 6.919 1.00 0.00 H new ATOM 0 HA LEU A 84 6.121 3.202 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.974 6.184 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.291 5.243 4.895 1.00 0.00 H new ATOM 0 HG LEU A 84 4.415 4.415 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.485 5.584 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.649 6.729 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.084 6.244 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.312 3.310 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.938 3.911 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.133 2.739 3.950 1.00 0.00 H new ATOM 1227 N LYS A 85 8.290 3.333 7.217 1.00 0.00 N ATOM 1228 CA LYS A 85 9.575 3.380 7.890 1.00 0.00 C ATOM 1229 C LYS A 85 10.439 4.433 7.282 1.00 0.00 C ATOM 1230 O LYS A 85 10.410 4.659 6.077 1.00 0.00 O ATOM 1231 CB LYS A 85 10.329 2.060 7.844 1.00 0.00 C ATOM 1232 CG LYS A 85 9.522 1.010 8.570 1.00 0.00 C ATOM 1233 CD LYS A 85 10.431 -0.095 9.090 1.00 0.00 C ATOM 1234 CE LYS A 85 9.490 -1.056 9.794 1.00 0.00 C ATOM 1235 NZ LYS A 85 9.696 -1.102 11.254 1.00 0.00 N ATOM 0 H LYS A 85 8.115 2.473 6.697 1.00 0.00 H new ATOM 0 HA LYS A 85 9.356 3.605 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.497 1.758 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.309 2.169 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.983 1.467 9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.775 0.588 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.965 -0.586 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.183 0.298 9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.460 -0.764 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.626 -2.056 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.026 -1.774 11.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.669 -1.408 11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.539 -0.156 11.657 1.00 0.00 H new ATOM 1245 N GLU A 86 11.318 4.964 8.109 1.00 0.00 N ATOM 1246 CA GLU A 86 12.177 6.062 7.663 1.00 0.00 C ATOM 1247 C GLU A 86 13.150 5.554 6.581 1.00 0.00 C ATOM 1248 O GLU A 86 13.487 6.273 5.639 1.00 0.00 O ATOM 1249 CB GLU A 86 12.843 6.730 8.875 1.00 0.00 C ATOM 1250 CG GLU A 86 13.386 8.123 8.550 1.00 0.00 C ATOM 1251 CD GLU A 86 13.677 8.905 9.834 1.00 0.00 C ATOM 1252 OE1 GLU A 86 12.717 9.379 10.490 1.00 0.00 O ATOM 1253 OE2 GLU A 86 14.857 8.990 10.245 1.00 0.00 O ATOM 0 H GLU A 86 11.461 4.667 9.074 1.00 0.00 H new ATOM 0 HA GLU A 86 11.594 6.849 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.120 6.806 9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.658 6.100 9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.297 8.034 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.663 8.668 7.943 1.00 0.00 H new ATOM 1258 N SER A 87 13.492 4.261 6.635 1.00 0.00 N ATOM 1259 CA SER A 87 14.321 3.566 5.648 1.00 0.00 C ATOM 1260 C SER A 87 13.612 3.370 4.290 1.00 0.00 C ATOM 1261 O SER A 87 14.245 2.953 3.319 1.00 0.00 O ATOM 1262 CB SER A 87 14.764 2.216 6.236 1.00 0.00 C ATOM 1263 OG SER A 87 15.915 1.707 5.586 1.00 0.00 O ATOM 0 H SER A 87 13.188 3.651 7.394 1.00 0.00 H new ATOM 0 HA SER A 87 15.189 4.191 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.971 2.334 7.300 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.950 1.497 6.147 1.00 0.00 H new ATOM 0 HG SER A 87 15.855 1.889 4.625 1.00 0.00 H new ATOM 1268 N ILE A 88 12.314 3.665 4.198 1.00 0.00 N ATOM 1269 CA ILE A 88 11.442 3.368 3.067 1.00 0.00 C ATOM 1270 C ILE A 88 10.864 4.678 2.540 1.00 0.00 C ATOM 1271 O ILE A 88 10.762 4.885 1.331 1.00 0.00 O ATOM 1272 CB ILE A 88 10.320 2.415 3.509 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.828 1.108 4.166 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.399 2.122 2.323 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.601 0.146 3.264 1.00 0.00 C ATOM 0 H ILE A 88 11.820 4.143 4.952 1.00 0.00 H new ATOM 0 HA ILE A 88 12.007 2.879 2.274 1.00 0.00 H new ATOM 0 HB ILE A 88 9.760 2.925 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.468 1.375 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.969 0.576 4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.604 1.446 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.962 3.053 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.974 1.657 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.902 -0.729 3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.965 -0.166 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.487 0.646 2.873 1.00 0.00 H new ATOM 1286 N SER A 89 10.532 5.592 3.442 1.00 0.00 N ATOM 1287 CA SER A 89 10.058 6.919 3.104 1.00 0.00 C ATOM 1288 C SER A 89 11.082 7.591 2.182 1.00 0.00 C ATOM 1289 O SER A 89 10.784 7.978 1.049 1.00 0.00 O ATOM 1290 CB SER A 89 9.842 7.740 4.383 1.00 0.00 C ATOM 1291 OG SER A 89 8.922 7.108 5.247 1.00 0.00 O ATOM 0 H SER A 89 10.587 5.425 4.447 1.00 0.00 H new ATOM 0 HA SER A 89 9.102 6.855 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.794 7.874 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.477 8.734 4.123 1.00 0.00 H new ATOM 0 HG SER A 89 9.345 6.326 5.660 1.00 0.00 H new ATOM 1296 N ARG A 90 12.345 7.610 2.629 1.00 0.00 N ATOM 1297 CA ARG A 90 13.464 8.092 1.827 1.00 0.00 C ATOM 1298 C ARG A 90 13.542 7.384 0.485 1.00 0.00 C ATOM 1299 O ARG A 90 13.915 8.024 -0.482 1.00 0.00 O ATOM 1300 CB ARG A 90 14.777 7.936 2.599 1.00 0.00 C ATOM 1301 CG ARG A 90 15.328 6.505 2.527 1.00 0.00 C ATOM 1302 CD ARG A 90 16.254 6.197 3.673 1.00 0.00 C ATOM 1303 NE ARG A 90 17.634 6.678 3.460 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.705 5.886 3.598 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.632 4.770 4.318 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.849 6.186 3.000 1.00 0.00 N ATOM 0 H ARG A 90 12.614 7.290 3.559 1.00 0.00 H new ATOM 0 HA ARG A 90 13.297 9.150 1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.517 8.629 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.618 8.210 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.499 5.797 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.859 6.368 1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.857 6.648 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.274 5.119 3.834 1.00 0.00 H new ATOM 0 HE ARG A 90 17.777 7.653 3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.755 4.511 4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.453 4.173 4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.920 7.027 2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.658 5.576 3.112 1.00 0.00 H new ATOM 1317 N ILE A 91 13.257 6.081 0.425 1.00 0.00 N ATOM 1318 CA ILE A 91 13.405 5.269 -0.767 1.00 0.00 C ATOM 1319 C ILE A 91 12.415 5.829 -1.793 1.00 0.00 C ATOM 1320 O ILE A 91 12.815 6.170 -2.903 1.00 0.00 O ATOM 1321 CB ILE A 91 13.171 3.770 -0.413 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.510 3.038 -0.210 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.251 3.021 -1.397 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.330 1.553 0.155 1.00 0.00 C ATOM 0 H ILE A 91 12.909 5.557 1.228 1.00 0.00 H new ATOM 0 HA ILE A 91 14.408 5.310 -1.191 1.00 0.00 H new ATOM 0 HB ILE A 91 12.627 3.769 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.102 3.114 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.075 3.535 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.142 1.985 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.272 3.500 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.688 3.048 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.308 1.089 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.763 1.472 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.791 1.045 -0.645 1.00 0.00 H new ATOM 1335 N LEU A 92 11.140 5.984 -1.404 1.00 0.00 N ATOM 1336 CA LEU A 92 10.101 6.533 -2.262 1.00 0.00 C ATOM 1337 C LEU A 92 10.556 7.913 -2.728 1.00 0.00 C ATOM 1338 O LEU A 92 10.544 8.183 -3.919 1.00 0.00 O ATOM 1339 CB LEU A 92 8.754 6.622 -1.530 1.00 0.00 C ATOM 1340 CG LEU A 92 8.152 5.265 -1.105 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.234 5.470 0.102 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.361 4.595 -2.240 1.00 0.00 C ATOM 0 H LEU A 92 10.807 5.727 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 92 9.949 5.875 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.880 7.241 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.040 7.133 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 92 8.981 4.605 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.809 4.512 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.808 5.888 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.430 6.156 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.958 3.644 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.542 5.246 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.021 4.419 -3.089 1.00 0.00 H new ATOM 1353 N LYS A 93 10.981 8.799 -1.829 1.00 0.00 N ATOM 1354 CA LYS A 93 11.446 10.136 -2.183 1.00 0.00 C ATOM 1355 C LYS A 93 12.599 10.090 -3.186 1.00 0.00 C ATOM 1356 O LYS A 93 12.533 10.744 -4.224 1.00 0.00 O ATOM 1357 CB LYS A 93 11.730 10.861 -0.861 1.00 0.00 C ATOM 1358 CG LYS A 93 12.630 12.089 -0.981 1.00 0.00 C ATOM 1359 CD LYS A 93 12.064 13.304 -0.231 1.00 0.00 C ATOM 1360 CE LYS A 93 13.161 14.334 0.054 1.00 0.00 C ATOM 1361 NZ LYS A 93 12.657 15.724 0.077 1.00 0.00 N ATOM 0 H LYS A 93 11.012 8.606 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 93 10.695 10.710 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.781 11.166 -0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.192 10.157 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.619 11.851 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.757 12.342 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.273 13.765 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.613 12.979 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.625 14.106 1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.939 14.248 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.444 16.375 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.238 15.957 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.935 15.819 0.819 1.00 0.00 H new ATOM 1371 N LEU A 94 13.631 9.305 -2.902 1.00 0.00 N ATOM 1372 CA LEU A 94 14.805 9.111 -3.737 1.00 0.00 C ATOM 1373 C LEU A 94 14.381 8.688 -5.141 1.00 0.00 C ATOM 1374 O LEU A 94 14.739 9.352 -6.114 1.00 0.00 O ATOM 1375 CB LEU A 94 15.734 8.091 -3.047 1.00 0.00 C ATOM 1376 CG LEU A 94 16.598 8.714 -1.928 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.359 7.600 -1.199 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.569 9.777 -2.456 1.00 0.00 C ATOM 0 H LEU A 94 13.672 8.761 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 94 15.363 10.040 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.131 7.287 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.388 7.641 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 94 15.931 9.225 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.970 8.034 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.648 6.898 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 94 18.001 7.075 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.151 10.182 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.241 9.325 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.006 10.581 -2.930 1.00 0.00 H new ATOM 1389 N THR A 95 13.578 7.637 -5.263 1.00 0.00 N ATOM 1390 CA THR A 95 13.072 7.127 -6.536 1.00 0.00 C ATOM 1391 C THR A 95 11.864 7.940 -7.049 1.00 0.00 C ATOM 1392 O THR A 95 11.114 7.501 -7.916 1.00 0.00 O ATOM 1393 CB THR A 95 12.814 5.612 -6.374 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.826 5.014 -5.576 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.849 4.855 -7.701 1.00 0.00 C ATOM 0 H THR A 95 13.251 7.101 -4.459 1.00 0.00 H new ATOM 0 HA THR A 95 13.812 7.256 -7.326 1.00 0.00 H new ATOM 0 HB THR A 95 11.824 5.542 -5.923 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.647 5.197 -4.630 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.661 3.797 -7.521 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.082 5.252 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.829 4.976 -8.163 1.00 0.00 H new ATOM 1403 N HIS A 96 11.678 9.161 -6.542 1.00 0.00 N ATOM 1404 CA HIS A 96 10.644 10.129 -6.894 1.00 0.00 C ATOM 1405 C HIS A 96 9.214 9.624 -6.777 1.00 0.00 C ATOM 1406 O HIS A 96 8.331 10.202 -7.392 1.00 0.00 O ATOM 1407 CB HIS A 96 10.823 10.716 -8.303 1.00 0.00 C ATOM 1408 CG HIS A 96 12.255 10.846 -8.747 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.241 11.621 -8.162 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.839 10.036 -9.678 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.413 11.272 -8.729 1.00 0.00 C ATOM 1412 NE2 HIS A 96 14.189 10.312 -9.652 1.00 0.00 N ATOM 0 H HIS A 96 12.297 9.524 -5.817 1.00 0.00 H new ATOM 0 HA HIS A 96 10.789 10.902 -6.139 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.291 10.086 -9.016 1.00 0.00 H new ATOM 0 HB3 HIS A 96 10.355 11.700 -8.335 1.00 0.00 H new ATOM 0 HD2 HIS A 96 12.340 9.318 -10.312 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.377 11.693 -8.484 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.900 9.866 -10.232 1.00 0.00 H new ATOM 1420 N LEU A 97 8.969 8.561 -6.035 1.00 0.00 N ATOM 1421 CA LEU A 97 7.685 7.940 -5.803 1.00 0.00 C ATOM 1422 C LEU A 97 6.868 8.743 -4.803 1.00 0.00 C ATOM 1423 O LEU A 97 5.664 8.871 -4.976 1.00 0.00 O ATOM 1424 CB LEU A 97 7.978 6.530 -5.249 1.00 0.00 C ATOM 1425 CG LEU A 97 7.673 5.378 -6.200 1.00 0.00 C ATOM 1426 CD1 LEU A 97 6.173 5.265 -6.362 1.00 0.00 C ATOM 1427 CD2 LEU A 97 8.323 5.501 -7.572 1.00 0.00 C ATOM 0 H LEU A 97 9.720 8.076 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 97 7.103 7.893 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.030 6.479 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.399 6.389 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 97 8.101 4.483 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.941 4.444 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.716 5.074 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.780 6.196 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.052 4.639 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.976 6.413 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.406 5.539 -7.459 1.00 0.00 H new ATOM 1438 N ASP A 98 7.499 9.296 -3.767 1.00 0.00 N ATOM 1439 CA ASP A 98 6.802 10.004 -2.690 1.00 0.00 C ATOM 1440 C ASP A 98 6.043 11.196 -3.265 1.00 0.00 C ATOM 1441 O ASP A 98 4.840 11.328 -3.049 1.00 0.00 O ATOM 1442 CB ASP A 98 7.815 10.399 -1.613 1.00 0.00 C ATOM 1443 CG ASP A 98 7.375 11.537 -0.696 1.00 0.00 C ATOM 1444 OD1 ASP A 98 7.508 12.712 -1.099 1.00 0.00 O ATOM 1445 OD2 ASP A 98 7.050 11.247 0.479 1.00 0.00 O ATOM 0 H ASP A 98 8.512 9.266 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 98 6.061 9.360 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.031 9.523 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.747 10.686 -2.100 1.00 0.00 H new ATOM 1449 N LYS A 99 6.712 11.979 -4.118 1.00 0.00 N ATOM 1450 CA LYS A 99 6.124 13.116 -4.816 1.00 0.00 C ATOM 1451 C LYS A 99 4.897 12.791 -5.686 1.00 0.00 C ATOM 1452 O LYS A 99 4.197 13.720 -6.095 1.00 0.00 O ATOM 1453 CB LYS A 99 7.207 13.893 -5.583 1.00 0.00 C ATOM 1454 CG LYS A 99 7.981 13.031 -6.560 1.00 0.00 C ATOM 1455 CD LYS A 99 8.630 13.889 -7.667 1.00 0.00 C ATOM 1456 CE LYS A 99 7.978 13.612 -9.030 1.00 0.00 C ATOM 1457 NZ LYS A 99 8.078 14.758 -9.954 1.00 0.00 N ATOM 0 H LYS A 99 7.696 11.833 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 99 5.712 13.761 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.740 14.715 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.902 14.335 -4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.753 12.476 -6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.313 12.297 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.529 14.946 -7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.697 13.674 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.452 12.742 -9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.928 13.361 -8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.622 14.517 -10.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.603 15.583 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.080 14.983 -10.121 1.00 0.00 H new ATOM 1467 N ILE A 100 4.615 11.518 -5.970 1.00 0.00 N ATOM 1468 CA ILE A 100 3.562 11.046 -6.863 1.00 0.00 C ATOM 1469 C ILE A 100 2.636 10.042 -6.157 1.00 0.00 C ATOM 1470 O ILE A 100 1.788 9.429 -6.804 1.00 0.00 O ATOM 1471 CB ILE A 100 4.186 10.497 -8.170 1.00 0.00 C ATOM 1472 CG1 ILE A 100 5.318 9.486 -7.966 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.680 11.663 -9.048 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.997 9.003 -9.254 1.00 0.00 C ATOM 0 H ILE A 100 5.145 10.749 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 100 2.922 11.884 -7.141 1.00 0.00 H new ATOM 0 HB ILE A 100 3.386 9.948 -8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.074 9.935 -7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.920 8.620 -7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.117 11.268 -9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.841 12.312 -9.297 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.432 12.235 -8.504 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.784 8.291 -9.005 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.260 8.520 -9.895 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.431 9.855 -9.778 1.00 0.00 H new ATOM 1485 N PHE A 101 2.759 9.882 -4.840 1.00 0.00 N ATOM 1486 CA PHE A 101 1.966 9.004 -3.983 1.00 0.00 C ATOM 1487 C PHE A 101 1.277 9.868 -2.912 1.00 0.00 C ATOM 1488 O PHE A 101 1.066 11.066 -3.136 1.00 0.00 O ATOM 1489 CB PHE A 101 2.903 7.900 -3.451 1.00 0.00 C ATOM 1490 CG PHE A 101 2.932 6.639 -4.296 1.00 0.00 C ATOM 1491 CD1 PHE A 101 3.229 6.680 -5.667 1.00 0.00 C ATOM 1492 CD2 PHE A 101 2.635 5.396 -3.720 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.191 5.529 -6.452 1.00 0.00 C ATOM 1494 CE2 PHE A 101 2.601 4.234 -4.491 1.00 0.00 C ATOM 1495 CZ PHE A 101 2.866 4.315 -5.856 1.00 0.00 C ATOM 0 H PHE A 101 3.462 10.397 -4.309 1.00 0.00 H new ATOM 0 HA PHE A 101 1.159 8.490 -4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.914 8.301 -3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.596 7.637 -2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.492 7.623 -6.123 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.429 5.337 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.411 5.579 -7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.372 3.282 -4.035 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.818 3.422 -6.461 1.00 0.00 H new ATOM 1504 N LYS A 102 0.871 9.293 -1.778 1.00 0.00 N ATOM 1505 CA LYS A 102 0.404 10.012 -0.597 1.00 0.00 C ATOM 1506 C LYS A 102 0.930 9.305 0.625 1.00 0.00 C ATOM 1507 O LYS A 102 0.860 8.077 0.678 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.125 10.049 -0.590 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.694 10.950 0.515 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.830 11.827 -0.013 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.735 12.238 1.145 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.799 13.156 0.695 1.00 0.00 N ATOM 0 H LYS A 102 0.859 8.280 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 102 0.766 11.040 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.480 10.402 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.508 9.037 -0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.059 10.334 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.901 11.581 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.423 12.712 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.405 11.284 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.183 11.350 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.140 12.720 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.397 13.417 1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.370 14.013 0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.380 12.686 -0.028 1.00 0.00 H new ATOM 1522 N ILE A 103 1.480 10.075 1.559 1.00 0.00 N ATOM 1523 CA ILE A 103 2.102 9.541 2.748 1.00 0.00 C ATOM 1524 C ILE A 103 1.511 10.223 3.973 1.00 0.00 C ATOM 1525 O ILE A 103 1.482 11.454 4.038 1.00 0.00 O ATOM 1526 CB ILE A 103 3.645 9.694 2.676 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.298 8.802 1.592 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.272 9.367 4.050 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.314 9.372 0.172 1.00 0.00 C ATOM 0 H ILE A 103 1.502 11.093 1.504 1.00 0.00 H new ATOM 0 HA ILE A 103 1.898 8.473 2.823 1.00 0.00 H new ATOM 0 HB ILE A 103 3.840 10.731 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.326 8.596 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.774 7.846 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.355 9.477 3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.878 10.051 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.026 8.342 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.795 8.661 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.291 9.550 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.867 10.311 0.163 1.00 0.00 H new ATOM 1540 N THR A 104 1.161 9.415 4.966 1.00 0.00 N ATOM 1541 CA THR A 104 0.877 9.810 6.331 1.00 0.00 C ATOM 1542 C THR A 104 1.592 8.894 7.334 1.00 0.00 C ATOM 1543 O THR A 104 2.422 8.049 6.987 1.00 0.00 O ATOM 1544 CB THR A 104 -0.641 9.925 6.532 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.371 8.939 5.833 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.151 11.242 5.959 1.00 0.00 C ATOM 0 H THR A 104 1.063 8.409 4.827 1.00 0.00 H new ATOM 0 HA THR A 104 1.285 10.801 6.528 1.00 0.00 H new ATOM 0 HB THR A 104 -0.788 9.827 7.608 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.042 8.050 6.083 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.229 11.311 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.661 12.073 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.929 11.285 4.893 1.00 0.00 H new ATOM 1554 N ASP A 105 1.336 9.129 8.615 1.00 0.00 N ATOM 1555 CA ASP A 105 2.153 8.667 9.726 1.00 0.00 C ATOM 1556 C ASP A 105 1.461 7.549 10.498 1.00 0.00 C ATOM 1557 O ASP A 105 2.107 6.590 10.921 1.00 0.00 O ATOM 1558 CB ASP A 105 2.429 9.869 10.626 1.00 0.00 C ATOM 1559 CG ASP A 105 3.603 10.687 10.093 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.737 10.148 10.036 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.375 11.821 9.626 1.00 0.00 O ATOM 0 H ASP A 105 0.524 9.666 8.918 1.00 0.00 H new ATOM 0 HA ASP A 105 3.089 8.250 9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.540 10.497 10.685 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.647 9.529 11.638 1.00 0.00 H new ATOM 1565 N THR A 106 0.136 7.623 10.602 1.00 0.00 N ATOM 1566 CA THR A 106 -0.740 6.610 11.183 1.00 0.00 C ATOM 1567 C THR A 106 -1.837 6.344 10.157 1.00 0.00 C ATOM 1568 O THR A 106 -2.158 7.219 9.348 1.00 0.00 O ATOM 1569 CB THR A 106 -1.306 7.089 12.532 1.00 0.00 C ATOM 1570 OG1 THR A 106 -1.962 8.325 12.358 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.218 7.248 13.598 1.00 0.00 C ATOM 0 H THR A 106 -0.382 8.434 10.265 1.00 0.00 H new ATOM 0 HA THR A 106 -0.200 5.688 11.399 1.00 0.00 H new ATOM 0 HB THR A 106 -2.004 6.327 12.878 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.323 8.628 13.217 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.669 7.588 14.530 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.274 6.289 13.761 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.516 7.980 13.262 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.440 5.157 10.143 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.587 4.893 9.278 1.00 0.00 C ATOM 1581 C VAL A 107 -4.773 5.793 9.659 1.00 0.00 C ATOM 1582 O VAL A 107 -5.632 6.106 8.838 1.00 0.00 O ATOM 1583 CB VAL A 107 -3.919 3.391 9.325 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -2.731 2.570 8.808 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -4.281 2.895 10.729 1.00 0.00 C ATOM 0 H VAL A 107 -2.154 4.365 10.719 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.347 5.142 8.244 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.794 3.255 8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.978 1.509 8.846 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.512 2.855 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.857 2.762 9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.504 1.829 10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.442 3.067 11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.155 3.436 11.092 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.790 6.283 10.897 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.776 7.232 11.372 1.00 0.00 C ATOM 1597 C GLU A 108 -5.660 8.598 10.688 1.00 0.00 C ATOM 1598 O GLU A 108 -6.686 9.248 10.488 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.652 7.366 12.895 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.749 6.553 13.594 1.00 0.00 C ATOM 1601 CD GLU A 108 -6.981 7.035 15.023 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -6.040 6.900 15.840 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -8.092 7.519 15.322 1.00 0.00 O ATOM 0 H GLU A 108 -4.104 6.023 11.605 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.764 6.850 11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.671 7.018 13.218 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.729 8.415 13.182 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.677 6.631 13.028 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.470 5.499 13.606 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.462 9.040 10.300 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.271 10.312 9.601 1.00 0.00 C ATOM 1610 C GLU A 109 -4.504 10.191 8.091 1.00 0.00 C ATOM 1611 O GLU A 109 -4.418 11.201 7.386 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.875 10.883 9.922 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.976 12.144 10.794 1.00 0.00 C ATOM 1614 CD GLU A 109 -3.576 11.857 12.175 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -2.824 11.526 13.115 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -4.817 11.945 12.335 1.00 0.00 O ATOM 0 H GLU A 109 -3.596 8.525 10.462 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.025 11.011 9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.281 10.128 10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.354 11.120 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.984 12.578 10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.588 12.887 10.283 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.788 8.981 7.602 1.00 0.00 N ATOM 1622 CA ALA A 110 -5.185 8.686 6.237 1.00 0.00 C ATOM 1623 C ALA A 110 -6.709 8.638 6.152 1.00 0.00 C ATOM 1624 O ALA A 110 -7.379 9.521 6.728 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.558 7.351 5.841 1.00 0.00 C ATOM 0 H ALA A 110 -4.743 8.144 8.183 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.840 9.458 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.841 7.105 4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.473 7.424 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.912 6.569 6.513 1.00 0.00 H new