USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 596 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 31 THR OG1 : rot 90:sc= 0.8 USER MOD Set 1.2: B 131 THR OG1 : rot -140:sc= 1.18 USER MOD Set 2.1: B 111 SER OG : rot -38:sc= 1.09 USER MOD Set 2.2: B 115 GLN : amide:sc= -0.0242 K(o=1.1,f=0.036) USER MOD Set 3.1: A 13 SER OG : rot 71:sc= 1.54 USER MOD Set 3.2: B 133 GLN : amide:sc= 0.374 K(o=1.9,f=1.4) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 6 THR OG1 : rot -70:sc= -3.05! USER MOD Single : A 8 THR OG1 : rot 52:sc= 0.0534 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.719 USER MOD Single : A 15 GLN : amide:sc= -0.0916 K(o=-0.092,f=-6.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc=-0.000623 USER MOD Single : A 23 ASN : amide:sc= -1.88 K(o=-1.9,f=-6.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -93:sc= 1.07 USER MOD Single : A 30 THR OG1 : rot 108:sc= 1.14 USER MOD Single : A 32 MET CE :methyl 160:sc= -15! (180deg=-16!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.753 K(o=-0.75,f=-1.3!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 GLN : amide:sc= -0.686 K(o=-0.69,f=-1.2) USER MOD Single : B 106 THR OG1 : rot -130:sc= -2.27! USER MOD Single : B 108 THR OG1 : rot 58:sc= 0.315 USER MOD Single : B 113 SER OG : rot 105:sc= -1.27! USER MOD Single : B 114 TYR OH : rot 180:sc= -1! USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 180:sc= -1.09 USER MOD Single : B 123 ASN : amide:sc= -3.56! C(o=-3.6!,f=-6.3!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -128:sc= -0.0808 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 139:sc= -15.4! (180deg=-20.2!) USER MOD Single : B 134 ASN : amide:sc= -0.18 K(o=-0.18,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.876 -10.889 13.481 1.00 0.00 N ATOM 21 CA LYS A 2 4.586 -10.316 12.163 1.00 0.00 C ATOM 22 C LYS A 2 3.304 -10.894 11.565 1.00 0.00 C ATOM 23 O LYS A 2 3.126 -12.112 11.496 1.00 0.00 O ATOM 24 CB LYS A 2 5.758 -10.544 11.198 1.00 0.00 C ATOM 25 CG LYS A 2 6.351 -11.946 11.260 1.00 0.00 C ATOM 26 CD LYS A 2 5.767 -12.851 10.184 1.00 0.00 C ATOM 27 CE LYS A 2 6.844 -13.689 9.511 1.00 0.00 C ATOM 28 NZ LYS A 2 6.857 -15.092 10.024 1.00 0.00 N ATOM 0 HA LYS A 2 4.443 -9.245 12.304 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.420 -10.349 10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.542 -9.819 11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.433 -11.889 11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.161 -12.379 12.242 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.018 -13.508 10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.256 -12.245 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.678 -13.697 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.819 -13.231 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.604 -15.631 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.041 -15.086 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.935 -15.537 9.841 1.00 0.00 H new ATOM 42 N GLN A 3 2.423 -10.002 11.131 1.00 0.00 N ATOM 43 CA GLN A 3 1.155 -10.377 10.526 1.00 0.00 C ATOM 44 C GLN A 3 1.141 -10.031 9.052 1.00 0.00 C ATOM 45 O GLN A 3 1.288 -8.871 8.668 1.00 0.00 O ATOM 46 CB GLN A 3 -0.009 -9.680 11.252 1.00 0.00 C ATOM 47 CG GLN A 3 -1.351 -9.881 10.572 1.00 0.00 C ATOM 48 CD GLN A 3 -1.913 -11.278 10.737 1.00 0.00 C ATOM 49 OE1 GLN A 3 -1.401 -12.086 11.508 1.00 0.00 O ATOM 50 NE2 GLN A 3 -2.976 -11.567 10.004 1.00 0.00 N ATOM 0 H GLN A 3 2.570 -8.994 11.190 1.00 0.00 H new ATOM 0 HA GLN A 3 1.033 -11.456 10.624 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.068 -10.056 12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.201 -8.612 11.317 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.064 -9.162 10.975 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.246 -9.664 9.509 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.369 -10.865 9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.403 -12.491 10.067 1.00 0.00 H new ATOM 59 N ARG A 4 0.974 -11.057 8.228 1.00 0.00 N ATOM 60 CA ARG A 4 0.962 -10.874 6.794 1.00 0.00 C ATOM 61 C ARG A 4 -0.370 -10.326 6.319 1.00 0.00 C ATOM 62 O ARG A 4 -1.384 -11.028 6.282 1.00 0.00 O ATOM 63 CB ARG A 4 1.252 -12.189 6.085 1.00 0.00 C ATOM 64 CG ARG A 4 1.895 -12.001 4.726 1.00 0.00 C ATOM 65 CD ARG A 4 1.942 -13.304 3.948 1.00 0.00 C ATOM 66 NE ARG A 4 0.683 -13.553 3.236 1.00 0.00 N ATOM 67 CZ ARG A 4 -0.344 -14.233 3.737 1.00 0.00 C ATOM 68 NH1 ARG A 4 -0.276 -14.780 4.937 1.00 0.00 N ATOM 69 NH2 ARG A 4 -1.447 -14.366 3.033 1.00 0.00 N ATOM 0 H ARG A 4 0.846 -12.022 8.534 1.00 0.00 H new ATOM 0 HA ARG A 4 1.741 -10.152 6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.908 -12.795 6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.322 -12.744 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.337 -11.257 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.906 -11.614 4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.765 -13.273 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.144 -14.129 4.631 1.00 0.00 H new ATOM 0 HE ARG A 4 0.589 -13.179 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.573 -14.684 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.073 -15.299 5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.513 -13.948 2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.236 -14.887 3.415 1.00 0.00 H new ATOM 83 N ILE A 5 -0.339 -9.067 5.932 1.00 0.00 N ATOM 84 CA ILE A 5 -1.509 -8.381 5.423 1.00 0.00 C ATOM 85 C ILE A 5 -1.315 -8.157 3.938 1.00 0.00 C ATOM 86 O ILE A 5 -0.371 -7.488 3.534 1.00 0.00 O ATOM 87 CB ILE A 5 -1.724 -7.041 6.162 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.071 -5.875 5.420 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.156 -7.141 7.570 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.456 -4.526 5.969 1.00 0.00 C ATOM 0 H ILE A 5 0.501 -8.489 5.962 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.400 -8.986 5.592 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.796 -6.847 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.012 -5.984 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.348 -5.923 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.308 -6.196 8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.664 -7.939 8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.089 -7.359 7.517 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.957 -3.744 5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.536 -4.398 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.154 -4.459 7.014 1.00 0.00 H new ATOM 102 N THR A 6 -2.158 -8.756 3.117 1.00 0.00 N ATOM 103 CA THR A 6 -1.985 -8.622 1.679 1.00 0.00 C ATOM 104 C THR A 6 -3.208 -8.014 0.985 1.00 0.00 C ATOM 105 O THR A 6 -4.304 -8.568 1.044 1.00 0.00 O ATOM 106 CB THR A 6 -1.592 -9.987 1.061 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.412 -10.313 -0.047 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.659 -11.160 2.024 1.00 0.00 C ATOM 0 H THR A 6 -2.951 -9.327 3.409 1.00 0.00 H new ATOM 0 HA THR A 6 -1.172 -7.916 1.512 1.00 0.00 H new ATOM 0 HB THR A 6 -0.553 -9.843 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.317 -10.520 0.266 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.368 -12.073 1.506 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.981 -10.984 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.677 -11.265 2.399 1.00 0.00 H new ATOM 116 N VAL A 7 -2.981 -6.909 0.253 1.00 0.00 N ATOM 117 CA VAL A 7 -4.024 -6.255 -0.550 1.00 0.00 C ATOM 118 C VAL A 7 -3.812 -6.654 -2.008 1.00 0.00 C ATOM 119 O VAL A 7 -2.841 -6.222 -2.633 1.00 0.00 O ATOM 120 CB VAL A 7 -4.037 -4.689 -0.412 1.00 0.00 C ATOM 121 CG1 VAL A 7 -2.665 -4.140 -0.052 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.549 -3.987 -1.682 1.00 0.00 C ATOM 0 H VAL A 7 -2.073 -6.447 0.203 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.993 -6.589 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.731 -4.474 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.718 -3.055 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.342 -4.564 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.950 -4.408 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.537 -2.908 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.906 -4.243 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.568 -4.312 -1.892 1.00 0.00 H new ATOM 132 N THR A 8 -4.684 -7.492 -2.551 1.00 0.00 N ATOM 133 CA THR A 8 -4.534 -7.926 -3.928 1.00 0.00 C ATOM 134 C THR A 8 -4.832 -6.777 -4.887 1.00 0.00 C ATOM 135 O THR A 8 -5.971 -6.583 -5.315 1.00 0.00 O ATOM 136 CB THR A 8 -5.426 -9.130 -4.208 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.725 -8.949 -3.675 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.875 -10.413 -3.639 1.00 0.00 C ATOM 0 H THR A 8 -5.492 -7.880 -2.064 1.00 0.00 H new ATOM 0 HA THR A 8 -3.500 -8.233 -4.088 1.00 0.00 H new ATOM 0 HB THR A 8 -5.464 -9.207 -5.295 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.087 -8.091 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.553 -11.234 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.898 -10.615 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.775 -10.318 -2.558 1.00 0.00 H new ATOM 146 N VAL A 9 -3.790 -6.014 -5.197 1.00 0.00 N ATOM 147 CA VAL A 9 -3.894 -4.858 -6.084 1.00 0.00 C ATOM 148 C VAL A 9 -3.856 -5.266 -7.558 1.00 0.00 C ATOM 149 O VAL A 9 -4.426 -6.293 -7.912 1.00 0.00 O ATOM 150 CB VAL A 9 -2.774 -3.852 -5.795 1.00 0.00 C ATOM 151 CG1 VAL A 9 -2.776 -3.474 -4.326 1.00 0.00 C ATOM 152 CG2 VAL A 9 -1.437 -4.435 -6.205 1.00 0.00 C ATOM 0 H VAL A 9 -2.848 -6.178 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.858 -4.389 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.946 -2.947 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.976 -2.759 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.735 -3.024 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.619 -4.367 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.646 -3.714 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.251 -5.350 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.450 -4.661 -7.271 1.00 0.00 H new ATOM 162 N ASP A 10 -3.257 -4.413 -8.420 1.00 0.00 N ATOM 163 CA ASP A 10 -3.218 -4.632 -9.873 1.00 0.00 C ATOM 164 C ASP A 10 -4.488 -4.015 -10.479 1.00 0.00 C ATOM 165 O ASP A 10 -4.604 -3.826 -11.690 1.00 0.00 O ATOM 166 CB ASP A 10 -3.058 -6.119 -10.223 1.00 0.00 C ATOM 167 CG ASP A 10 -3.319 -6.431 -11.686 1.00 0.00 C ATOM 168 OD1 ASP A 10 -2.364 -6.395 -12.491 1.00 0.00 O ATOM 169 OD2 ASP A 10 -4.482 -6.735 -12.024 1.00 0.00 O ATOM 0 H ASP A 10 -2.790 -3.557 -8.122 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.342 -4.144 -10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.047 -6.437 -9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.742 -6.704 -9.608 1.00 0.00 H new ATOM 174 N SER A 11 -5.411 -3.651 -9.581 1.00 0.00 N ATOM 175 CA SER A 11 -6.660 -3.000 -9.933 1.00 0.00 C ATOM 176 C SER A 11 -6.694 -1.596 -9.315 1.00 0.00 C ATOM 177 O SER A 11 -6.655 -0.600 -10.038 1.00 0.00 O ATOM 178 CB SER A 11 -7.853 -3.836 -9.443 1.00 0.00 C ATOM 179 OG SER A 11 -8.996 -3.026 -9.206 1.00 0.00 O ATOM 0 H SER A 11 -5.302 -3.806 -8.579 1.00 0.00 H new ATOM 0 HA SER A 11 -6.730 -2.913 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.093 -4.598 -10.185 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.580 -4.359 -8.526 1.00 0.00 H new ATOM 0 HG SER A 11 -9.737 -3.588 -8.897 1.00 0.00 H new ATOM 185 N ASP A 12 -6.814 -1.527 -7.978 1.00 0.00 N ATOM 186 CA ASP A 12 -6.909 -0.251 -7.268 1.00 0.00 C ATOM 187 C ASP A 12 -5.785 0.755 -7.630 1.00 0.00 C ATOM 188 O ASP A 12 -6.000 1.602 -8.504 1.00 0.00 O ATOM 189 CB ASP A 12 -6.998 -0.503 -5.764 1.00 0.00 C ATOM 190 CG ASP A 12 -8.247 -1.271 -5.364 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.514 -2.334 -5.967 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.953 -0.808 -4.441 1.00 0.00 O ATOM 0 H ASP A 12 -6.847 -2.346 -7.371 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.825 0.236 -7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.117 -1.059 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.982 0.452 -5.239 1.00 0.00 H new ATOM 197 N SER A 13 -4.597 0.722 -6.976 1.00 0.00 N ATOM 198 CA SER A 13 -3.530 1.700 -7.307 1.00 0.00 C ATOM 199 C SER A 13 -2.260 1.527 -6.438 1.00 0.00 C ATOM 200 O SER A 13 -1.685 2.505 -5.954 1.00 0.00 O ATOM 201 CB SER A 13 -4.063 3.123 -7.139 1.00 0.00 C ATOM 202 OG SER A 13 -4.469 3.670 -8.384 1.00 0.00 O ATOM 0 H SER A 13 -4.358 0.055 -6.242 1.00 0.00 H new ATOM 0 HA SER A 13 -3.244 1.514 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.906 3.119 -6.448 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.292 3.753 -6.696 1.00 0.00 H new ATOM 0 HG SER A 13 -5.285 3.220 -8.689 1.00 0.00 H new ATOM 208 N TYR A 14 -1.828 0.281 -6.261 1.00 0.00 N ATOM 209 CA TYR A 14 -0.626 -0.057 -5.471 1.00 0.00 C ATOM 210 C TYR A 14 0.666 0.086 -6.276 1.00 0.00 C ATOM 211 O TYR A 14 1.696 0.506 -5.748 1.00 0.00 O ATOM 212 CB TYR A 14 -0.755 -1.488 -5.000 1.00 0.00 C ATOM 213 CG TYR A 14 0.530 -2.258 -5.062 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.907 -2.913 -6.218 1.00 0.00 C ATOM 215 CD2 TYR A 14 1.346 -2.334 -3.961 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.072 -3.629 -6.281 1.00 0.00 C ATOM 217 CE2 TYR A 14 2.522 -3.048 -3.997 1.00 0.00 C ATOM 218 CZ TYR A 14 2.887 -3.701 -5.166 1.00 0.00 C ATOM 219 OH TYR A 14 4.061 -4.415 -5.231 1.00 0.00 O ATOM 0 H TYR A 14 -2.297 -0.533 -6.659 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.566 0.639 -4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.122 -1.492 -3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.503 -1.996 -5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.271 -2.859 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.061 -1.825 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.352 -4.133 -7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.155 -3.100 -3.124 1.00 0.00 H new ATOM 0 HH TYR A 14 4.521 -4.368 -4.367 1.00 0.00 H new ATOM 229 N GLN A 15 0.613 -0.350 -7.525 1.00 0.00 N ATOM 230 CA GLN A 15 1.785 -0.377 -8.398 1.00 0.00 C ATOM 231 C GLN A 15 2.580 0.939 -8.432 1.00 0.00 C ATOM 232 O GLN A 15 3.798 0.891 -8.397 1.00 0.00 O ATOM 233 CB GLN A 15 1.376 -0.798 -9.815 1.00 0.00 C ATOM 234 CG GLN A 15 0.510 -2.057 -9.866 1.00 0.00 C ATOM 235 CD GLN A 15 -0.972 -1.769 -9.698 1.00 0.00 C ATOM 236 OE1 GLN A 15 -1.452 -1.557 -8.582 1.00 0.00 O ATOM 237 NE2 GLN A 15 -1.706 -1.759 -10.798 1.00 0.00 N ATOM 0 H GLN A 15 -0.240 -0.695 -7.965 1.00 0.00 H new ATOM 0 HA GLN A 15 2.463 -1.115 -7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.833 0.023 -10.284 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.276 -0.965 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.670 -2.562 -10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.831 -2.744 -9.083 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.271 -1.939 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.707 -1.571 -10.742 1.00 0.00 H new ATOM 246 N LEU A 16 1.927 2.097 -8.501 1.00 0.00 N ATOM 247 CA LEU A 16 2.665 3.378 -8.540 1.00 0.00 C ATOM 248 C LEU A 16 3.629 3.536 -7.354 1.00 0.00 C ATOM 249 O LEU A 16 4.757 4.001 -7.516 1.00 0.00 O ATOM 250 CB LEU A 16 1.702 4.564 -8.551 1.00 0.00 C ATOM 251 CG LEU A 16 1.674 5.356 -9.859 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.294 5.944 -10.102 1.00 0.00 C ATOM 253 CD2 LEU A 16 2.728 6.453 -9.838 1.00 0.00 C ATOM 0 H LEU A 16 0.911 2.186 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 16 3.249 3.363 -9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.696 4.199 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.971 5.240 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 16 1.902 4.674 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.296 6.503 -11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.439 5.139 -10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.033 6.612 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.695 7.007 -10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.530 7.132 -9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.715 6.007 -9.715 1.00 0.00 H new ATOM 265 N LEU A 17 3.159 3.163 -6.171 1.00 0.00 N ATOM 266 CA LEU A 17 3.987 3.289 -4.964 1.00 0.00 C ATOM 267 C LEU A 17 5.226 2.404 -5.053 1.00 0.00 C ATOM 268 O LEU A 17 6.358 2.882 -4.942 1.00 0.00 O ATOM 269 CB LEU A 17 3.189 2.957 -3.700 1.00 0.00 C ATOM 270 CG LEU A 17 2.858 4.137 -2.776 1.00 0.00 C ATOM 271 CD1 LEU A 17 2.923 3.699 -1.330 1.00 0.00 C ATOM 272 CD2 LEU A 17 3.801 5.302 -2.990 1.00 0.00 C ATOM 0 H LEU A 17 2.228 2.777 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 17 4.308 4.329 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.254 2.484 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.749 2.219 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 17 1.848 4.468 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.687 4.544 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.203 2.899 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.926 3.338 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.532 6.116 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.824 4.985 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.727 5.645 -4.022 1.00 0.00 H new ATOM 284 N LYS A 18 5.006 1.122 -5.286 1.00 0.00 N ATOM 285 CA LYS A 18 6.098 0.172 -5.428 1.00 0.00 C ATOM 286 C LYS A 18 6.879 0.462 -6.704 1.00 0.00 C ATOM 287 O LYS A 18 8.065 0.151 -6.817 1.00 0.00 O ATOM 288 CB LYS A 18 5.535 -1.237 -5.478 1.00 0.00 C ATOM 289 CG LYS A 18 4.547 -1.394 -6.609 1.00 0.00 C ATOM 290 CD LYS A 18 4.889 -2.587 -7.489 1.00 0.00 C ATOM 291 CE LYS A 18 4.709 -2.266 -8.962 1.00 0.00 C ATOM 292 NZ LYS A 18 5.397 -3.262 -9.836 1.00 0.00 N ATOM 0 H LYS A 18 4.077 0.712 -5.381 1.00 0.00 H new ATOM 0 HA LYS A 18 6.770 0.265 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.349 -1.952 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.047 -1.470 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.543 -1.517 -6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.537 -0.487 -7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.920 -2.891 -7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.255 -3.432 -7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.646 -2.245 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.102 -1.270 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.251 -3.008 -10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.415 -3.264 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.005 -4.209 -9.659 1.00 0.00 H new ATOM 306 N ALA A 19 6.181 1.071 -7.656 1.00 0.00 N ATOM 307 CA ALA A 19 6.762 1.432 -8.940 1.00 0.00 C ATOM 308 C ALA A 19 7.905 2.411 -8.752 1.00 0.00 C ATOM 309 O ALA A 19 8.871 2.395 -9.517 1.00 0.00 O ATOM 310 CB ALA A 19 5.712 2.021 -9.872 1.00 0.00 C ATOM 0 H ALA A 19 5.199 1.327 -7.558 1.00 0.00 H new ATOM 0 HA ALA A 19 7.151 0.522 -9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.175 2.281 -10.824 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.923 1.288 -10.041 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.285 2.916 -9.420 1.00 0.00 H new ATOM 316 N TYR A 20 7.808 3.254 -7.722 1.00 0.00 N ATOM 317 CA TYR A 20 8.860 4.205 -7.455 1.00 0.00 C ATOM 318 C TYR A 20 9.913 3.577 -6.541 1.00 0.00 C ATOM 319 O TYR A 20 11.097 3.719 -6.831 1.00 0.00 O ATOM 320 CB TYR A 20 8.297 5.563 -6.971 1.00 0.00 C ATOM 321 CG TYR A 20 7.913 5.703 -5.520 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.731 5.307 -4.470 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.691 6.263 -5.218 1.00 0.00 C ATOM 324 CE1 TYR A 20 8.319 5.462 -3.160 1.00 0.00 C ATOM 325 CE2 TYR A 20 6.275 6.425 -3.926 1.00 0.00 C ATOM 326 CZ TYR A 20 7.089 6.017 -2.894 1.00 0.00 C ATOM 327 OH TYR A 20 6.674 6.170 -1.594 1.00 0.00 O ATOM 0 H TYR A 20 7.020 3.289 -7.075 1.00 0.00 H new ATOM 0 HA TYR A 20 9.377 4.451 -8.383 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.040 6.329 -7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.416 5.790 -7.571 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.698 4.874 -4.679 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.045 6.582 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.960 5.149 -2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.314 6.870 -3.716 1.00 0.00 H new ATOM 0 HH TYR A 20 5.783 6.578 -1.581 1.00 0.00 H new ATOM 337 N ASP A 21 9.486 2.827 -5.489 1.00 0.00 N ATOM 338 CA ASP A 21 10.447 2.118 -4.597 1.00 0.00 C ATOM 339 C ASP A 21 9.918 1.897 -3.175 1.00 0.00 C ATOM 340 O ASP A 21 10.707 1.799 -2.231 1.00 0.00 O ATOM 341 CB ASP A 21 11.792 2.865 -4.503 1.00 0.00 C ATOM 342 CG ASP A 21 12.918 2.144 -5.222 1.00 0.00 C ATOM 343 OD1 ASP A 21 12.995 0.900 -5.116 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.731 2.825 -5.876 1.00 0.00 O ATOM 0 H ASP A 21 8.505 2.699 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 21 10.587 1.143 -5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.678 3.863 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.059 2.991 -3.454 1.00 0.00 H new ATOM 349 N VAL A 22 8.602 1.832 -3.005 1.00 0.00 N ATOM 350 CA VAL A 22 8.021 1.653 -1.675 1.00 0.00 C ATOM 351 C VAL A 22 6.635 1.048 -1.741 1.00 0.00 C ATOM 352 O VAL A 22 5.640 1.767 -1.837 1.00 0.00 O ATOM 353 CB VAL A 22 7.945 3.016 -0.953 1.00 0.00 C ATOM 354 CG1 VAL A 22 7.136 2.920 0.333 1.00 0.00 C ATOM 355 CG2 VAL A 22 9.337 3.549 -0.669 1.00 0.00 C ATOM 0 H VAL A 22 7.921 1.900 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 22 8.664 0.967 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 22 7.434 3.714 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.103 3.897 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.122 2.595 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.604 2.199 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.262 4.510 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.874 2.844 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.876 3.677 -1.608 1.00 0.00 H new ATOM 365 N ASN A 23 6.572 -0.280 -1.675 1.00 0.00 N ATOM 366 CA ASN A 23 5.294 -0.976 -1.698 1.00 0.00 C ATOM 367 C ASN A 23 4.424 -0.401 -0.572 1.00 0.00 C ATOM 368 O ASN A 23 3.712 0.581 -0.773 1.00 0.00 O ATOM 369 CB ASN A 23 5.508 -2.500 -1.548 1.00 0.00 C ATOM 370 CG ASN A 23 6.548 -3.057 -2.512 1.00 0.00 C ATOM 371 OD1 ASN A 23 7.004 -2.367 -3.419 1.00 0.00 O ATOM 372 ND2 ASN A 23 6.936 -4.308 -2.318 1.00 0.00 N ATOM 0 H ASN A 23 7.387 -0.890 -1.606 1.00 0.00 H new ATOM 0 HA ASN A 23 4.788 -0.826 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.816 -2.718 -0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.559 -3.012 -1.711 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.635 -4.726 -2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.536 -4.853 -1.554 1.00 0.00 H new ATOM 379 N ILE A 24 4.473 -1.005 0.608 1.00 0.00 N ATOM 380 CA ILE A 24 3.670 -0.491 1.716 1.00 0.00 C ATOM 381 C ILE A 24 4.196 -0.787 3.108 1.00 0.00 C ATOM 382 O ILE A 24 3.518 -0.442 4.075 1.00 0.00 O ATOM 383 CB ILE A 24 2.204 -0.949 1.666 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.981 -1.979 0.590 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.303 0.239 1.429 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.912 -3.154 0.710 1.00 0.00 C ATOM 0 H ILE A 24 5.040 -1.825 0.822 1.00 0.00 H new ATOM 0 HA ILE A 24 3.744 0.584 1.554 1.00 0.00 H new ATOM 0 HB ILE A 24 1.965 -1.408 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.950 -2.331 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.114 -1.513 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.265 -0.093 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.428 0.958 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.565 0.711 0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.706 -3.864 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.944 -2.810 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.762 -3.640 1.674 1.00 0.00 H new ATOM 398 N SER A 25 5.343 -1.451 3.236 1.00 0.00 N ATOM 399 CA SER A 25 5.835 -1.797 4.580 1.00 0.00 C ATOM 400 C SER A 25 5.566 -0.644 5.557 1.00 0.00 C ATOM 401 O SER A 25 4.763 -0.769 6.502 1.00 0.00 O ATOM 402 CB SER A 25 7.332 -2.120 4.574 1.00 0.00 C ATOM 403 OG SER A 25 8.022 -1.367 3.589 1.00 0.00 O ATOM 0 H SER A 25 5.934 -1.753 2.462 1.00 0.00 H new ATOM 0 HA SER A 25 5.297 -2.688 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.755 -1.910 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.475 -3.184 4.386 1.00 0.00 H new ATOM 0 HG SER A 25 8.975 -1.594 3.612 1.00 0.00 H new ATOM 409 N GLY A 26 6.199 0.496 5.291 1.00 0.00 N ATOM 410 CA GLY A 26 5.997 1.676 6.117 1.00 0.00 C ATOM 411 C GLY A 26 4.763 2.465 5.710 1.00 0.00 C ATOM 412 O GLY A 26 4.208 3.206 6.519 1.00 0.00 O ATOM 0 H GLY A 26 6.850 0.624 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.904 1.374 7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.875 2.319 6.048 1.00 0.00 H new ATOM 416 N LEU A 27 4.333 2.307 4.454 1.00 0.00 N ATOM 417 CA LEU A 27 3.169 3.001 3.941 1.00 0.00 C ATOM 418 C LEU A 27 1.899 2.550 4.659 1.00 0.00 C ATOM 419 O LEU A 27 1.238 3.364 5.307 1.00 0.00 O ATOM 420 CB LEU A 27 3.049 2.761 2.438 1.00 0.00 C ATOM 421 CG LEU A 27 2.328 3.843 1.640 1.00 0.00 C ATOM 422 CD1 LEU A 27 1.027 3.297 1.081 1.00 0.00 C ATOM 423 CD2 LEU A 27 2.075 5.072 2.494 1.00 0.00 C ATOM 0 H LEU A 27 4.786 1.695 3.775 1.00 0.00 H new ATOM 0 HA LEU A 27 3.292 4.068 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.052 2.644 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.529 1.816 2.282 1.00 0.00 H new ATOM 0 HG LEU A 27 2.966 4.143 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.519 4.077 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.239 2.451 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.387 2.971 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.560 5.828 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.457 4.800 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.026 5.473 2.846 1.00 0.00 H new ATOM 435 N VAL A 28 1.562 1.251 4.566 1.00 0.00 N ATOM 436 CA VAL A 28 0.380 0.743 5.246 1.00 0.00 C ATOM 437 C VAL A 28 0.402 1.179 6.710 1.00 0.00 C ATOM 438 O VAL A 28 -0.437 1.955 7.152 1.00 0.00 O ATOM 439 CB VAL A 28 0.306 -0.799 5.170 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.641 -1.354 6.224 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.121 -1.250 3.784 1.00 0.00 C ATOM 0 H VAL A 28 2.086 0.555 4.036 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.499 1.153 4.748 1.00 0.00 H new ATOM 0 HB VAL A 28 1.304 -1.191 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.674 -2.441 6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.288 -1.070 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.640 -0.949 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.166 -2.339 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.104 -0.839 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.601 -0.896 3.048 1.00 0.00 H new ATOM 451 N SER A 29 1.382 0.675 7.445 1.00 0.00 N ATOM 452 CA SER A 29 1.543 0.982 8.860 1.00 0.00 C ATOM 453 C SER A 29 1.467 2.487 9.159 1.00 0.00 C ATOM 454 O SER A 29 0.928 2.880 10.198 1.00 0.00 O ATOM 455 CB SER A 29 2.887 0.433 9.345 1.00 0.00 C ATOM 456 OG SER A 29 3.936 0.795 8.454 1.00 0.00 O ATOM 0 H SER A 29 2.090 0.040 7.077 1.00 0.00 H new ATOM 0 HA SER A 29 0.716 0.509 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.103 0.817 10.342 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.833 -0.653 9.427 1.00 0.00 H new ATOM 0 HG SER A 29 4.071 0.078 7.799 1.00 0.00 H new ATOM 462 N THR A 30 1.988 3.329 8.266 1.00 0.00 N ATOM 463 CA THR A 30 1.942 4.773 8.476 1.00 0.00 C ATOM 464 C THR A 30 0.561 5.301 8.146 1.00 0.00 C ATOM 465 O THR A 30 -0.057 6.004 8.952 1.00 0.00 O ATOM 466 CB THR A 30 2.979 5.486 7.607 1.00 0.00 C ATOM 467 OG1 THR A 30 4.288 5.141 8.008 1.00 0.00 O ATOM 468 CG2 THR A 30 2.865 6.994 7.651 1.00 0.00 C ATOM 0 H THR A 30 2.442 3.039 7.400 1.00 0.00 H new ATOM 0 HA THR A 30 2.170 4.969 9.524 1.00 0.00 H new ATOM 0 HB THR A 30 2.778 5.155 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.694 4.558 7.333 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.630 7.436 7.013 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.879 7.295 7.297 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.004 7.340 8.675 1.00 0.00 H new ATOM 476 N THR A 31 0.078 4.965 6.950 1.00 0.00 N ATOM 477 CA THR A 31 -1.233 5.421 6.524 1.00 0.00 C ATOM 478 C THR A 31 -2.314 4.909 7.472 1.00 0.00 C ATOM 479 O THR A 31 -3.232 5.649 7.834 1.00 0.00 O ATOM 480 CB THR A 31 -1.535 5.019 5.073 1.00 0.00 C ATOM 481 OG1 THR A 31 -2.365 5.989 4.450 1.00 0.00 O ATOM 482 CG2 THR A 31 -2.227 3.685 4.934 1.00 0.00 C ATOM 0 H THR A 31 0.572 4.386 6.271 1.00 0.00 H new ATOM 0 HA THR A 31 -1.231 6.510 6.560 1.00 0.00 H new ATOM 0 HB THR A 31 -0.558 4.949 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.806 6.673 4.024 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.404 3.475 3.879 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.598 2.903 5.359 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.179 3.712 5.464 1.00 0.00 H new ATOM 490 N MET A 32 -2.187 3.647 7.892 1.00 0.00 N ATOM 491 CA MET A 32 -3.135 3.049 8.814 1.00 0.00 C ATOM 492 C MET A 32 -3.271 3.889 10.080 1.00 0.00 C ATOM 493 O MET A 32 -4.378 4.158 10.517 1.00 0.00 O ATOM 494 CB MET A 32 -2.709 1.624 9.154 1.00 0.00 C ATOM 495 CG MET A 32 -2.690 0.701 7.952 1.00 0.00 C ATOM 496 SD MET A 32 -4.323 0.113 7.511 1.00 0.00 S ATOM 497 CE MET A 32 -3.932 -1.522 6.926 1.00 0.00 C ATOM 0 H MET A 32 -1.432 3.025 7.603 1.00 0.00 H new ATOM 0 HA MET A 32 -4.111 3.016 8.331 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.716 1.646 9.602 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.388 1.218 9.904 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.255 1.226 7.102 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.045 -0.152 8.163 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.829 -2.141 6.949 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.558 -1.463 5.904 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.170 -1.965 7.567 1.00 0.00 H new ATOM 507 N GLN A 33 -2.145 4.306 10.669 1.00 0.00 N ATOM 508 CA GLN A 33 -2.173 5.124 11.887 1.00 0.00 C ATOM 509 C GLN A 33 -2.905 6.438 11.640 1.00 0.00 C ATOM 510 O GLN A 33 -3.832 6.787 12.369 1.00 0.00 O ATOM 511 CB GLN A 33 -0.748 5.397 12.384 1.00 0.00 C ATOM 512 CG GLN A 33 -0.640 6.541 13.392 1.00 0.00 C ATOM 513 CD GLN A 33 0.420 7.565 13.020 1.00 0.00 C ATOM 514 OE1 GLN A 33 1.613 7.269 13.017 1.00 0.00 O ATOM 515 NE2 GLN A 33 -0.008 8.780 12.707 1.00 0.00 N ATOM 0 H GLN A 33 -1.209 4.093 10.325 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.711 4.569 12.655 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.355 4.488 12.840 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.114 5.623 11.527 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.606 7.039 13.472 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.411 6.130 14.375 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.006 8.988 12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.661 9.507 12.452 1.00 0.00 H new ATOM 524 N ASN A 34 -2.489 7.158 10.603 1.00 0.00 N ATOM 525 CA ASN A 34 -3.122 8.429 10.260 1.00 0.00 C ATOM 526 C ASN A 34 -4.618 8.227 10.051 1.00 0.00 C ATOM 527 O ASN A 34 -5.436 8.951 10.627 1.00 0.00 O ATOM 528 CB ASN A 34 -2.434 9.044 9.022 1.00 0.00 C ATOM 529 CG ASN A 34 -3.378 9.347 7.876 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.327 10.116 8.016 1.00 0.00 O ATOM 531 ND2 ASN A 34 -3.101 8.753 6.727 1.00 0.00 N ATOM 0 H ASN A 34 -1.722 6.886 9.988 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.002 9.135 11.082 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.932 9.965 9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.662 8.359 8.671 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.686 8.926 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.302 8.122 6.658 1.00 0.00 H new ATOM 538 N GLU A 35 -4.972 7.215 9.271 1.00 0.00 N ATOM 539 CA GLU A 35 -6.373 6.904 9.037 1.00 0.00 C ATOM 540 C GLU A 35 -7.009 6.345 10.312 1.00 0.00 C ATOM 541 O GLU A 35 -8.179 6.609 10.597 1.00 0.00 O ATOM 542 CB GLU A 35 -6.516 5.928 7.868 1.00 0.00 C ATOM 543 CG GLU A 35 -7.094 6.568 6.611 1.00 0.00 C ATOM 544 CD GLU A 35 -6.557 7.964 6.339 1.00 0.00 C ATOM 545 OE1 GLU A 35 -7.156 8.940 6.846 1.00 0.00 O ATOM 546 OE2 GLU A 35 -5.541 8.081 5.622 1.00 0.00 O ATOM 0 H GLU A 35 -4.313 6.600 8.793 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.900 7.820 8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.538 5.506 7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.156 5.100 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.875 5.930 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.179 6.616 6.704 1.00 0.00 H new ATOM 553 N ALA A 36 -6.216 5.615 11.107 1.00 0.00 N ATOM 554 CA ALA A 36 -6.681 5.067 12.372 1.00 0.00 C ATOM 555 C ALA A 36 -7.015 6.208 13.326 1.00 0.00 C ATOM 556 O ALA A 36 -8.072 6.219 13.958 1.00 0.00 O ATOM 557 CB ALA A 36 -5.614 4.158 12.981 1.00 0.00 C ATOM 0 H ALA A 36 -5.245 5.393 10.888 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.577 4.472 12.198 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.976 3.755 13.927 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.400 3.338 12.296 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.704 4.732 13.155 1.00 0.00 H new ATOM 563 N ARG A 37 -6.117 7.193 13.398 1.00 0.00 N ATOM 564 CA ARG A 37 -6.341 8.356 14.238 1.00 0.00 C ATOM 565 C ARG A 37 -7.564 9.090 13.757 1.00 0.00 C ATOM 566 O ARG A 37 -8.463 9.419 14.529 1.00 0.00 O ATOM 567 CB ARG A 37 -5.171 9.317 14.164 1.00 0.00 C ATOM 568 CG ARG A 37 -4.423 9.478 15.474 1.00 0.00 C ATOM 569 CD ARG A 37 -5.378 9.686 16.640 1.00 0.00 C ATOM 570 NE ARG A 37 -4.677 9.800 17.924 1.00 0.00 N ATOM 571 CZ ARG A 37 -5.087 10.558 18.937 1.00 0.00 C ATOM 572 NH1 ARG A 37 -6.177 11.295 18.827 1.00 0.00 N ATOM 573 NH2 ARG A 37 -4.403 10.575 20.065 1.00 0.00 N ATOM 0 H ARG A 37 -5.235 7.203 12.886 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.464 8.009 15.264 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.475 8.969 13.400 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.535 10.293 13.843 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.812 8.594 15.656 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.743 10.327 15.404 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.965 10.588 16.469 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.079 8.853 16.685 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.819 9.263 18.048 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.713 11.286 17.959 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.483 11.873 19.610 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.561 10.007 20.159 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.716 11.156 20.843 1.00 0.00 H new ATOM 587 N ARG A 38 -7.558 9.362 12.459 1.00 0.00 N ATOM 588 CA ARG A 38 -8.648 10.081 11.833 1.00 0.00 C ATOM 589 C ARG A 38 -9.989 9.352 12.030 1.00 0.00 C ATOM 590 O ARG A 38 -10.992 9.995 12.343 1.00 0.00 O ATOM 591 CB ARG A 38 -8.377 10.301 10.342 1.00 0.00 C ATOM 592 CG ARG A 38 -9.493 11.050 9.626 1.00 0.00 C ATOM 593 CD ARG A 38 -9.350 12.557 9.782 1.00 0.00 C ATOM 594 NE ARG A 38 -10.213 13.091 10.841 1.00 0.00 N ATOM 595 CZ ARG A 38 -11.517 13.315 10.705 1.00 0.00 C ATOM 596 NH1 ARG A 38 -12.144 12.994 9.587 1.00 0.00 N ATOM 597 NH2 ARG A 38 -12.195 13.851 11.699 1.00 0.00 N ATOM 0 H ARG A 38 -6.808 9.093 11.823 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.717 11.054 12.320 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.446 10.856 10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.232 9.334 9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.484 10.791 8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.457 10.733 10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.311 12.800 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.595 13.043 8.837 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.785 13.305 11.742 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.628 12.570 8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.144 13.171 9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.720 14.093 12.569 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.195 14.025 11.599 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.005 -9.466 -10.332 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.822 -9.088 -8.921 1.00 0.00 C ATOM 1186 C LYS B 102 -3.405 -9.367 -8.425 1.00 0.00 C ATOM 1187 O LYS B 102 -2.949 -10.513 -8.423 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.833 -9.804 -8.022 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.742 -8.850 -7.262 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.939 -8.419 -8.097 1.00 0.00 C ATOM 1191 CE LYS B 102 -9.199 -9.162 -7.689 1.00 0.00 C ATOM 1192 NZ LYS B 102 -9.108 -10.612 -8.012 1.00 0.00 N ATOM 0 HA LYS B 102 -4.992 -8.013 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -6.444 -10.469 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.296 -10.429 -7.309 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.091 -9.332 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.174 -7.970 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.095 -7.346 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.733 -8.602 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.366 -9.037 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.059 -8.728 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.985 -11.088 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.973 -10.732 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.302 -11.031 -7.506 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.723 -8.311 -7.998 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.362 -8.425 -7.491 1.00 0.00 C ATOM 1208 C GLN B 103 -1.357 -8.457 -5.975 1.00 0.00 C ATOM 1209 O GLN B 103 -1.732 -7.487 -5.316 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.494 -7.262 -8.001 1.00 0.00 C ATOM 1211 CG GLN B 103 0.843 -7.134 -7.280 1.00 0.00 C ATOM 1212 CD GLN B 103 1.884 -6.393 -8.093 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.572 -5.458 -8.827 1.00 0.00 O ATOM 1214 NE2 GLN B 103 3.136 -6.798 -7.957 1.00 0.00 N ATOM 0 H GLN B 103 -3.094 -7.361 -7.993 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.940 -9.360 -7.859 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.311 -7.397 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.048 -6.330 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.691 -6.614 -6.334 1.00 0.00 H new ATOM 0 HG3 GLN B 103 1.217 -8.129 -7.041 1.00 0.00 H new ATOM 0 HE21 GLN B 103 3.355 -7.578 -7.338 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.882 -6.330 -8.471 1.00 0.00 H new ATOM 1223 N ARG B 104 -0.954 -9.585 -5.418 1.00 0.00 N ATOM 1224 CA ARG B 104 -0.944 -9.737 -3.985 1.00 0.00 C ATOM 1225 C ARG B 104 0.250 -9.050 -3.342 1.00 0.00 C ATOM 1226 O ARG B 104 1.369 -9.560 -3.360 1.00 0.00 O ATOM 1227 CB ARG B 104 -0.927 -11.210 -3.621 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.581 -11.498 -2.295 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.578 -12.983 -2.016 1.00 0.00 C ATOM 1230 NE ARG B 104 -2.633 -13.690 -2.746 1.00 0.00 N ATOM 1231 CZ ARG B 104 -3.930 -13.426 -2.649 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -4.365 -12.519 -1.803 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.794 -14.107 -3.375 1.00 0.00 N ATOM 0 H ARG B 104 -0.632 -10.402 -5.938 1.00 0.00 H new ATOM 0 HA ARG B 104 -1.849 -9.263 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.435 -11.777 -4.401 1.00 0.00 H new ATOM 0 HB3 ARG B 104 0.105 -11.560 -3.594 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.053 -10.971 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.605 -11.125 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -0.609 -13.399 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -1.706 -13.149 -0.946 1.00 0.00 H new ATOM 0 HE ARG B 104 -2.350 -14.441 -3.376 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -3.704 -12.012 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -5.364 -12.322 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.465 -14.835 -4.009 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -5.791 -13.906 -3.302 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.017 -7.920 -2.710 1.00 0.00 N ATOM 1248 CA ILE B 105 1.010 -7.198 -1.983 1.00 0.00 C ATOM 1249 C ILE B 105 0.734 -7.405 -0.517 1.00 0.00 C ATOM 1250 O ILE B 105 -0.390 -7.189 -0.064 1.00 0.00 O ATOM 1251 CB ILE B 105 1.029 -5.687 -2.296 1.00 0.00 C ATOM 1252 CG1 ILE B 105 0.237 -4.911 -1.237 1.00 0.00 C ATOM 1253 CG2 ILE B 105 0.468 -5.447 -3.683 1.00 0.00 C ATOM 1254 CD1 ILE B 105 0.113 -3.431 -1.511 1.00 0.00 C ATOM 0 H ILE B 105 -0.938 -7.483 -2.686 1.00 0.00 H new ATOM 0 HA ILE B 105 1.986 -7.580 -2.282 1.00 0.00 H new ATOM 0 HB ILE B 105 2.058 -5.327 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -0.763 -5.339 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE B 105 0.717 -5.050 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE B 105 0.482 -4.379 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE B 105 1.075 -5.976 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -0.558 -5.813 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -0.461 -2.960 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE B 105 1.106 -2.985 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -0.396 -3.279 -2.463 1.00 0.00 H new ATOM 1266 N THR B 106 1.712 -7.863 0.219 1.00 0.00 N ATOM 1267 CA THR B 106 1.495 -8.129 1.621 1.00 0.00 C ATOM 1268 C THR B 106 2.490 -7.379 2.512 1.00 0.00 C ATOM 1269 O THR B 106 3.704 -7.516 2.360 1.00 0.00 O ATOM 1270 CB THR B 106 1.505 -9.659 1.865 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.448 -10.021 2.854 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.806 -10.498 0.622 1.00 0.00 C ATOM 0 H THR B 106 2.654 -8.058 -0.120 1.00 0.00 H new ATOM 0 HA THR B 106 0.514 -7.747 1.903 1.00 0.00 H new ATOM 0 HB THR B 106 0.486 -9.876 2.186 1.00 0.00 H new ATOM 0 HG1 THR B 106 3.008 -10.753 2.520 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.793 -11.556 0.885 1.00 0.00 H new ATOM 0 HG22 THR B 106 1.051 -10.304 -0.140 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.789 -10.233 0.234 1.00 0.00 H new ATOM 1280 N VAL B 107 1.949 -6.646 3.503 1.00 0.00 N ATOM 1281 CA VAL B 107 2.759 -5.944 4.496 1.00 0.00 C ATOM 1282 C VAL B 107 2.758 -6.808 5.745 1.00 0.00 C ATOM 1283 O VAL B 107 1.821 -6.742 6.545 1.00 0.00 O ATOM 1284 CB VAL B 107 2.237 -4.481 4.817 1.00 0.00 C ATOM 1285 CG1 VAL B 107 2.010 -4.204 6.331 1.00 0.00 C ATOM 1286 CG2 VAL B 107 3.207 -3.472 4.246 1.00 0.00 C ATOM 0 H VAL B 107 0.944 -6.529 3.631 1.00 0.00 H new ATOM 0 HA VAL B 107 3.765 -5.799 4.103 1.00 0.00 H new ATOM 0 HB VAL B 107 1.256 -4.390 4.350 1.00 0.00 H new ATOM 0 HG11 VAL B 107 1.654 -3.183 6.465 1.00 0.00 H new ATOM 0 HG12 VAL B 107 1.268 -4.901 6.721 1.00 0.00 H new ATOM 0 HG13 VAL B 107 2.949 -4.334 6.869 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.854 -2.464 4.463 1.00 0.00 H new ATOM 0 HG22 VAL B 107 4.189 -3.617 4.696 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.278 -3.606 3.167 1.00 0.00 H new ATOM 1296 N THR B 108 3.761 -7.669 5.909 1.00 0.00 N ATOM 1297 CA THR B 108 3.787 -8.528 7.074 1.00 0.00 C ATOM 1298 C THR B 108 4.084 -7.697 8.307 1.00 0.00 C ATOM 1299 O THR B 108 5.134 -7.824 8.938 1.00 0.00 O ATOM 1300 CB THR B 108 4.786 -9.663 6.913 1.00 0.00 C ATOM 1301 OG1 THR B 108 6.098 -9.184 6.697 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.437 -10.603 5.802 1.00 0.00 C ATOM 0 H THR B 108 4.543 -7.784 5.265 1.00 0.00 H new ATOM 0 HA THR B 108 2.807 -8.992 7.188 1.00 0.00 H new ATOM 0 HB THR B 108 4.740 -10.209 7.855 1.00 0.00 H new ATOM 0 HG1 THR B 108 6.364 -8.611 7.446 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.189 -11.389 5.741 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.461 -11.049 5.996 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.406 -10.057 4.859 1.00 0.00 H new ATOM 1310 N VAL B 109 3.125 -6.845 8.622 1.00 0.00 N ATOM 1311 CA VAL B 109 3.192 -5.953 9.757 1.00 0.00 C ATOM 1312 C VAL B 109 2.578 -6.653 10.972 1.00 0.00 C ATOM 1313 O VAL B 109 3.031 -7.734 11.326 1.00 0.00 O ATOM 1314 CB VAL B 109 2.481 -4.615 9.407 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.011 -4.823 9.026 1.00 0.00 C ATOM 1316 CG2 VAL B 109 2.625 -3.605 10.526 1.00 0.00 C ATOM 0 H VAL B 109 2.263 -6.755 8.084 1.00 0.00 H new ATOM 0 HA VAL B 109 4.225 -5.708 10.004 1.00 0.00 H new ATOM 0 HB VAL B 109 2.981 -4.210 8.527 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.557 -3.861 8.790 1.00 0.00 H new ATOM 0 HG12 VAL B 109 0.950 -5.476 8.156 1.00 0.00 H new ATOM 0 HG13 VAL B 109 0.480 -5.280 9.861 1.00 0.00 H new ATOM 0 HG21 VAL B 109 2.117 -2.681 10.250 1.00 0.00 H new ATOM 0 HG22 VAL B 109 2.180 -4.005 11.437 1.00 0.00 H new ATOM 0 HG23 VAL B 109 3.682 -3.401 10.698 1.00 0.00 H new ATOM 1326 N ASP B 110 1.581 -6.053 11.609 1.00 0.00 N ATOM 1327 CA ASP B 110 0.920 -6.614 12.770 1.00 0.00 C ATOM 1328 C ASP B 110 0.270 -5.459 13.489 1.00 0.00 C ATOM 1329 O ASP B 110 -0.862 -5.091 13.178 1.00 0.00 O ATOM 1330 CB ASP B 110 1.898 -7.374 13.687 1.00 0.00 C ATOM 1331 CG ASP B 110 1.257 -7.821 14.984 1.00 0.00 C ATOM 1332 OD1 ASP B 110 0.494 -8.807 14.960 1.00 0.00 O ATOM 1333 OD2 ASP B 110 1.520 -7.182 16.022 1.00 0.00 O ATOM 0 H ASP B 110 1.206 -5.148 11.325 1.00 0.00 H new ATOM 0 HA ASP B 110 0.180 -7.354 12.466 1.00 0.00 H new ATOM 0 HB2 ASP B 110 2.283 -8.246 13.158 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.752 -6.734 13.910 1.00 0.00 H new ATOM 1338 N SER B 111 0.979 -4.876 14.438 1.00 0.00 N ATOM 1339 CA SER B 111 0.453 -3.765 15.183 1.00 0.00 C ATOM 1340 C SER B 111 0.923 -2.406 14.654 1.00 0.00 C ATOM 1341 O SER B 111 0.667 -1.397 15.322 1.00 0.00 O ATOM 1342 CB SER B 111 0.853 -3.908 16.649 1.00 0.00 C ATOM 1343 OG SER B 111 0.248 -2.903 17.447 1.00 0.00 O ATOM 0 H SER B 111 1.921 -5.160 14.706 1.00 0.00 H new ATOM 0 HA SER B 111 -0.631 -3.789 15.071 1.00 0.00 H new ATOM 0 HB2 SER B 111 0.559 -4.892 17.014 1.00 0.00 H new ATOM 0 HB3 SER B 111 1.937 -3.845 16.741 1.00 0.00 H new ATOM 0 HG SER B 111 0.226 -2.059 16.949 1.00 0.00 H new ATOM 1349 N ASP B 112 1.592 -2.316 13.476 1.00 0.00 N ATOM 1350 CA ASP B 112 2.002 -0.994 13.028 1.00 0.00 C ATOM 1351 C ASP B 112 0.804 -0.316 12.390 1.00 0.00 C ATOM 1352 O ASP B 112 0.748 -0.123 11.185 1.00 0.00 O ATOM 1353 CB ASP B 112 3.197 -1.063 12.071 1.00 0.00 C ATOM 1354 CG ASP B 112 4.386 -1.798 12.665 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.654 -1.623 13.873 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.052 -2.542 11.921 1.00 0.00 O ATOM 0 H ASP B 112 1.838 -3.096 12.866 1.00 0.00 H new ATOM 0 HA ASP B 112 2.340 -0.407 13.882 1.00 0.00 H new ATOM 0 HB2 ASP B 112 2.891 -1.561 11.151 1.00 0.00 H new ATOM 0 HB3 ASP B 112 3.499 -0.051 11.801 1.00 0.00 H new ATOM 1361 N SER B 113 -0.175 0.015 13.228 1.00 0.00 N ATOM 1362 CA SER B 113 -1.417 0.663 12.778 1.00 0.00 C ATOM 1363 C SER B 113 -2.240 -0.198 11.792 1.00 0.00 C ATOM 1364 O SER B 113 -3.454 -0.006 11.680 1.00 0.00 O ATOM 1365 CB SER B 113 -1.105 2.005 12.115 1.00 0.00 C ATOM 1366 OG SER B 113 0.138 2.530 12.545 1.00 0.00 O ATOM 0 H SER B 113 -0.137 -0.154 14.233 1.00 0.00 H new ATOM 0 HA SER B 113 -2.021 0.803 13.674 1.00 0.00 H new ATOM 0 HB2 SER B 113 -1.091 1.881 11.032 1.00 0.00 H new ATOM 0 HB3 SER B 113 -1.898 2.716 12.344 1.00 0.00 H new ATOM 0 HG SER B 113 0.806 2.408 11.839 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.587 -1.133 11.074 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.269 -1.990 10.105 1.00 0.00 C ATOM 1374 C TYR B 114 -3.531 -2.613 10.705 1.00 0.00 C ATOM 1375 O TYR B 114 -4.640 -2.402 10.207 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.356 -3.120 9.624 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.117 -4.409 9.395 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.014 -4.518 8.343 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -1.981 -5.488 10.254 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -3.744 -5.667 8.141 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -2.715 -6.642 10.069 1.00 0.00 C ATOM 1382 CZ TYR B 114 -3.593 -6.730 9.011 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.327 -7.880 8.833 1.00 0.00 O ATOM 0 H TYR B 114 -0.585 -1.308 11.153 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.540 -1.353 9.263 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -0.865 -2.820 8.698 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.571 -3.289 10.361 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.142 -3.684 7.669 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.290 -5.425 11.081 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.429 -5.737 7.309 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -2.602 -7.472 10.750 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.097 -8.526 9.533 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.339 -3.425 11.755 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.446 -4.123 12.398 1.00 0.00 C ATOM 1395 C GLN B 115 -5.611 -3.176 12.735 1.00 0.00 C ATOM 1396 O GLN B 115 -6.772 -3.574 12.678 1.00 0.00 O ATOM 1397 CB GLN B 115 -3.963 -4.832 13.668 1.00 0.00 C ATOM 1398 CG GLN B 115 -3.042 -3.983 14.530 1.00 0.00 C ATOM 1399 CD GLN B 115 -3.645 -3.638 15.876 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -4.832 -3.337 15.977 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -2.830 -3.673 16.920 1.00 0.00 N ATOM 0 H GLN B 115 -2.426 -3.610 12.171 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.817 -4.862 11.688 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.829 -5.128 14.260 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -3.441 -5.747 13.387 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.104 -4.516 14.684 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.802 -3.062 13.998 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.850 -3.928 16.794 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -3.182 -3.445 17.850 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.297 -1.930 13.093 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.321 -0.935 13.444 1.00 0.00 C ATOM 1412 C LEU B 116 -7.300 -0.673 12.289 1.00 0.00 C ATOM 1413 O LEU B 116 -8.512 -0.779 12.460 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.655 0.385 13.855 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.045 0.914 15.237 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.886 1.671 15.862 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.269 1.809 15.142 1.00 0.00 C ATOM 0 H LEU B 116 -4.340 -1.582 13.149 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.891 -1.344 14.278 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.574 0.251 13.828 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.901 1.143 13.112 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.289 0.063 15.873 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.180 2.040 16.844 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.030 1.004 15.966 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.615 2.512 15.224 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.530 2.175 16.135 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.052 2.654 14.489 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.105 1.241 14.733 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.766 -0.289 11.131 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.629 0.028 9.981 1.00 0.00 C ATOM 1431 C LEU B 117 -8.587 -1.110 9.648 1.00 0.00 C ATOM 1432 O LEU B 117 -9.778 -0.892 9.419 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.841 0.391 8.747 1.00 0.00 C ATOM 1434 CG LEU B 117 -7.406 1.589 7.997 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -6.406 2.723 7.956 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -7.846 1.184 6.604 1.00 0.00 C ATOM 0 H LEU B 117 -5.765 -0.190 10.959 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.208 0.898 10.289 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.811 0.604 9.033 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.815 -0.468 8.077 1.00 0.00 H new ATOM 0 HG LEU B 117 -8.284 1.949 8.533 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.834 3.566 7.415 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -6.163 3.030 8.973 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.499 2.390 7.451 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -8.247 2.053 6.082 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.992 0.792 6.052 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.616 0.416 6.675 1.00 0.00 H new ATOM 1448 N LYS B 118 -8.071 -2.324 9.645 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.891 -3.497 9.370 1.00 0.00 C ATOM 1450 C LYS B 118 -9.831 -3.749 10.533 1.00 0.00 C ATOM 1451 O LYS B 118 -10.906 -4.322 10.371 1.00 0.00 O ATOM 1452 CB LYS B 118 -8.015 -4.713 9.129 1.00 0.00 C ATOM 1453 CG LYS B 118 -7.062 -4.958 10.264 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.637 -6.417 10.319 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.155 -6.815 11.702 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.812 -8.067 12.174 1.00 0.00 N ATOM 0 H LYS B 118 -7.089 -2.528 9.829 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.478 -3.314 8.470 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.645 -5.591 8.990 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.451 -4.576 8.206 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -6.183 -4.324 10.147 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.534 -4.678 11.206 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.476 -7.050 10.031 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -5.842 -6.591 9.594 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.074 -6.955 11.685 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.361 -6.008 12.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -6.459 -8.308 13.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.841 -7.925 12.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -6.595 -8.842 11.516 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.409 -3.282 11.700 1.00 0.00 N ATOM 1471 CA ALA B 119 -10.195 -3.407 12.910 1.00 0.00 C ATOM 1472 C ALA B 119 -11.493 -2.619 12.773 1.00 0.00 C ATOM 1473 O ALA B 119 -12.504 -2.981 13.379 1.00 0.00 O ATOM 1474 CB ALA B 119 -9.404 -2.938 14.125 1.00 0.00 C ATOM 0 H ALA B 119 -8.515 -2.808 11.830 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.438 -4.459 13.058 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -10.017 -3.042 15.020 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.504 -3.544 14.229 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -9.125 -1.892 13.996 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.478 -1.552 11.956 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.682 -0.773 11.756 1.00 0.00 C ATOM 1482 C TYR B 120 -13.510 -1.344 10.608 1.00 0.00 C ATOM 1483 O TYR B 120 -14.720 -1.466 10.781 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.417 0.749 11.657 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.801 1.304 10.386 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.364 1.103 9.129 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.655 2.089 10.465 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -11.792 1.662 7.999 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.089 2.649 9.345 1.00 0.00 C ATOM 1490 CZ TYR B 120 -10.657 2.434 8.114 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.078 2.994 6.998 1.00 0.00 O ATOM 0 H TYR B 120 -10.660 -1.226 11.441 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.292 -0.867 12.654 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -13.367 1.260 11.813 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.766 1.025 12.487 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.258 0.504 9.034 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.200 2.262 11.429 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.235 1.493 7.029 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.200 3.256 9.433 1.00 0.00 H new ATOM 0 HH TYR B 120 -9.286 3.507 7.263 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.865 -1.768 9.479 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.609 -2.417 8.355 1.00 0.00 C ATOM 1503 C ASP B 121 -13.044 -2.116 6.963 1.00 0.00 C ATOM 1504 O ASP B 121 -13.802 -1.824 6.033 1.00 0.00 O ATOM 1505 CB ASP B 121 -15.102 -2.043 8.360 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.996 -3.153 8.893 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -15.490 -4.057 9.596 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -17.208 -3.123 8.595 1.00 0.00 O ATOM 0 H ASP B 121 -11.861 -1.676 9.325 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.482 -3.483 8.543 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.244 -1.148 8.966 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.411 -1.792 7.345 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.731 -2.190 6.795 1.00 0.00 N ATOM 1514 CA VAL B 122 -11.136 -1.915 5.484 1.00 0.00 C ATOM 1515 C VAL B 122 -9.853 -2.668 5.252 1.00 0.00 C ATOM 1516 O VAL B 122 -9.628 -3.159 4.138 1.00 0.00 O ATOM 1517 CB VAL B 122 -10.886 -0.407 5.284 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -9.940 -0.148 4.117 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -12.203 0.303 5.065 1.00 0.00 C ATOM 0 H VAL B 122 -11.065 -2.432 7.529 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.865 -2.263 4.752 1.00 0.00 H new ATOM 0 HB VAL B 122 -10.410 -0.017 6.184 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -9.786 0.925 4.005 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -8.983 -0.634 4.309 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -10.373 -0.550 3.201 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -12.023 1.369 4.924 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -12.692 -0.103 4.179 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -12.845 0.155 5.934 1.00 0.00 H new ATOM 1529 N ASN B 123 -8.970 -2.712 6.246 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.688 -3.350 6.056 1.00 0.00 C ATOM 1531 C ASN B 123 -6.901 -2.396 5.171 1.00 0.00 C ATOM 1532 O ASN B 123 -6.724 -1.232 5.530 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.836 -4.756 5.421 1.00 0.00 C ATOM 1534 CG ASN B 123 -8.983 -5.570 6.002 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -8.828 -6.248 7.010 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -10.138 -5.516 5.354 1.00 0.00 N ATOM 0 H ASN B 123 -9.122 -2.318 7.174 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.176 -3.528 7.002 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -7.987 -4.646 4.347 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -6.905 -5.307 5.557 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -10.938 -6.051 5.692 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -10.227 -4.939 4.518 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.461 -2.839 4.015 1.00 0.00 N ATOM 1544 CA ILE B 124 -5.746 -1.939 3.130 1.00 0.00 C ATOM 1545 C ILE B 124 -6.141 -2.091 1.671 1.00 0.00 C ATOM 1546 O ILE B 124 -5.588 -1.403 0.815 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.221 -2.038 3.266 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -3.829 -3.201 4.156 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -3.674 -0.736 3.825 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.380 -4.504 3.657 1.00 0.00 C ATOM 0 H ILE B 124 -6.579 -3.791 3.669 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.051 -0.946 3.461 1.00 0.00 H new ATOM 0 HB ILE B 124 -3.794 -2.214 2.279 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -2.742 -3.265 4.211 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.189 -3.020 5.169 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.591 -0.808 3.921 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -3.925 0.083 3.151 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.113 -0.548 4.805 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.074 -5.308 4.326 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.468 -4.451 3.627 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -3.999 -4.700 2.655 1.00 0.00 H new ATOM 1562 N SER B 125 -7.074 -3.002 1.383 1.00 0.00 N ATOM 1563 CA SER B 125 -7.498 -3.229 -0.001 1.00 0.00 C ATOM 1564 C SER B 125 -7.591 -1.889 -0.742 1.00 0.00 C ATOM 1565 O SER B 125 -6.834 -1.627 -1.691 1.00 0.00 O ATOM 1566 CB SER B 125 -8.840 -3.967 -0.047 1.00 0.00 C ATOM 1567 OG SER B 125 -8.808 -5.029 -0.990 1.00 0.00 O ATOM 0 H SER B 125 -7.543 -3.585 2.076 1.00 0.00 H new ATOM 0 HA SER B 125 -6.756 -3.856 -0.496 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.076 -4.361 0.941 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.634 -3.268 -0.309 1.00 0.00 H new ATOM 0 HG SER B 125 -9.675 -5.485 -0.999 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.497 -1.025 -0.274 1.00 0.00 N ATOM 1574 CA GLY B 126 -8.652 0.291 -0.869 1.00 0.00 C ATOM 1575 C GLY B 126 -7.728 1.321 -0.241 1.00 0.00 C ATOM 1576 O GLY B 126 -7.244 2.218 -0.927 1.00 0.00 O ATOM 0 H GLY B 126 -9.125 -1.217 0.507 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.450 0.230 -1.938 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -9.686 0.618 -0.758 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.465 1.190 1.066 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.581 2.120 1.764 1.00 0.00 C ATOM 1582 C LEU B 127 -5.231 2.210 1.080 1.00 0.00 C ATOM 1583 O LEU B 127 -4.839 3.263 0.595 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.351 1.648 3.189 1.00 0.00 C ATOM 1585 CG LEU B 127 -5.693 2.671 4.097 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -6.739 3.602 4.674 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -4.922 1.960 5.192 1.00 0.00 C ATOM 0 H LEU B 127 -7.851 0.452 1.655 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.062 3.098 1.754 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.310 1.361 3.622 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.731 0.752 3.165 1.00 0.00 H new ATOM 0 HG LEU B 127 -4.991 3.274 3.521 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -6.257 4.332 5.324 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -7.252 4.120 3.864 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -7.462 3.025 5.250 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -4.451 2.697 5.842 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.605 1.344 5.777 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -4.155 1.327 4.745 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.531 1.082 1.044 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.224 1.013 0.418 1.00 0.00 C ATOM 1601 C VAL B 128 -3.286 1.571 -1.000 1.00 0.00 C ATOM 1602 O VAL B 128 -2.642 2.567 -1.313 1.00 0.00 O ATOM 1603 CB VAL B 128 -2.701 -0.445 0.410 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -1.857 -0.751 -0.812 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -1.911 -0.713 1.670 1.00 0.00 C ATOM 0 H VAL B 128 -4.852 0.201 1.444 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.529 1.621 0.998 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.569 -1.103 0.371 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.515 -1.785 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.453 -0.603 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -0.995 -0.085 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -1.546 -1.740 1.659 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.065 -0.027 1.722 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -2.552 -0.565 2.539 1.00 0.00 H new ATOM 1615 N SER B 129 -4.077 0.922 -1.841 1.00 0.00 N ATOM 1616 CA SER B 129 -4.245 1.325 -3.228 1.00 0.00 C ATOM 1617 C SER B 129 -4.623 2.802 -3.391 1.00 0.00 C ATOM 1618 O SER B 129 -4.060 3.488 -4.245 1.00 0.00 O ATOM 1619 CB SER B 129 -5.306 0.457 -3.872 1.00 0.00 C ATOM 1620 OG SER B 129 -6.484 0.417 -3.078 1.00 0.00 O ATOM 0 H SER B 129 -4.621 0.100 -1.580 1.00 0.00 H new ATOM 0 HA SER B 129 -3.280 1.194 -3.718 1.00 0.00 H new ATOM 0 HB2 SER B 129 -5.544 0.843 -4.863 1.00 0.00 H new ATOM 0 HB3 SER B 129 -4.921 -0.553 -4.008 1.00 0.00 H new ATOM 0 HG SER B 129 -6.740 -0.516 -2.919 1.00 0.00 H new ATOM 1626 N THR B 130 -5.561 3.299 -2.578 1.00 0.00 N ATOM 1627 CA THR B 130 -5.972 4.695 -2.667 1.00 0.00 C ATOM 1628 C THR B 130 -4.874 5.572 -2.098 1.00 0.00 C ATOM 1629 O THR B 130 -4.444 6.535 -2.737 1.00 0.00 O ATOM 1630 CB THR B 130 -7.322 4.929 -1.961 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.215 5.623 -2.815 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.233 5.710 -0.663 1.00 0.00 C ATOM 0 H THR B 130 -6.043 2.758 -1.860 1.00 0.00 H new ATOM 0 HA THR B 130 -6.124 4.961 -3.713 1.00 0.00 H new ATOM 0 HB THR B 130 -7.679 3.928 -1.720 1.00 0.00 H new ATOM 0 HG1 THR B 130 -9.068 5.762 -2.353 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.230 5.825 -0.239 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.599 5.173 0.042 1.00 0.00 H new ATOM 0 HG23 THR B 130 -6.806 6.694 -0.859 1.00 0.00 H new ATOM 1640 N THR B 131 -4.397 5.216 -0.905 1.00 0.00 N ATOM 1641 CA THR B 131 -3.323 5.962 -0.278 1.00 0.00 C ATOM 1642 C THR B 131 -2.151 6.059 -1.248 1.00 0.00 C ATOM 1643 O THR B 131 -1.661 7.152 -1.541 1.00 0.00 O ATOM 1644 CB THR B 131 -2.870 5.318 1.041 1.00 0.00 C ATOM 1645 OG1 THR B 131 -3.777 5.619 2.090 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.496 5.775 1.485 1.00 0.00 C ATOM 0 H THR B 131 -4.738 4.422 -0.363 1.00 0.00 H new ATOM 0 HA THR B 131 -3.693 6.959 -0.037 1.00 0.00 H new ATOM 0 HB THR B 131 -2.839 4.247 0.842 1.00 0.00 H new ATOM 0 HG1 THR B 131 -3.277 5.796 2.914 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.235 5.284 2.422 1.00 0.00 H new ATOM 0 HG22 THR B 131 -0.762 5.515 0.722 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.501 6.855 1.630 1.00 0.00 H new ATOM 1654 N MET B 132 -1.727 4.904 -1.767 1.00 0.00 N ATOM 1655 CA MET B 132 -0.635 4.845 -2.725 1.00 0.00 C ATOM 1656 C MET B 132 -0.913 5.738 -3.921 1.00 0.00 C ATOM 1657 O MET B 132 -0.101 6.581 -4.252 1.00 0.00 O ATOM 1658 CB MET B 132 -0.416 3.414 -3.192 1.00 0.00 C ATOM 1659 CG MET B 132 0.017 2.486 -2.081 1.00 0.00 C ATOM 1660 SD MET B 132 -0.260 0.769 -2.494 1.00 0.00 S ATOM 1661 CE MET B 132 1.168 0.055 -1.719 1.00 0.00 C ATOM 0 H MET B 132 -2.130 3.996 -1.534 1.00 0.00 H new ATOM 0 HA MET B 132 0.267 5.201 -2.228 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.339 3.037 -3.633 1.00 0.00 H new ATOM 0 HB3 MET B 132 0.339 3.407 -3.978 1.00 0.00 H new ATOM 0 HG2 MET B 132 1.075 2.642 -1.871 1.00 0.00 H new ATOM 0 HG3 MET B 132 -0.529 2.732 -1.170 1.00 0.00 H new ATOM 0 HE1 MET B 132 0.887 -0.876 -1.226 1.00 0.00 H new ATOM 0 HE2 MET B 132 1.928 -0.148 -2.473 1.00 0.00 H new ATOM 0 HE3 MET B 132 1.567 0.750 -0.980 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.064 5.559 -4.565 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.416 6.383 -5.721 1.00 0.00 C ATOM 1673 C GLN B 133 -2.295 7.869 -5.375 1.00 0.00 C ATOM 1674 O GLN B 133 -1.756 8.651 -6.157 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.821 6.026 -6.215 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.681 7.209 -6.638 1.00 0.00 C ATOM 1677 CD GLN B 133 -6.027 6.781 -7.202 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -7.051 7.393 -6.913 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -6.038 5.728 -8.010 1.00 0.00 N ATOM 0 H GLN B 133 -2.762 4.860 -4.311 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.717 6.179 -6.532 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.729 5.344 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.340 5.485 -5.424 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.842 7.862 -5.780 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.146 7.793 -7.387 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -5.167 5.244 -8.228 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -6.917 5.403 -8.413 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.767 8.246 -4.186 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.670 9.632 -3.729 1.00 0.00 C ATOM 1690 C ASN B 134 -1.204 10.003 -3.532 1.00 0.00 C ATOM 1691 O ASN B 134 -0.712 10.966 -4.130 1.00 0.00 O ATOM 1692 CB ASN B 134 -3.453 9.820 -2.422 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.920 9.463 -2.563 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -5.501 9.581 -3.638 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -5.531 9.025 -1.471 1.00 0.00 N ATOM 0 H ASN B 134 -3.218 7.614 -3.525 1.00 0.00 H new ATOM 0 HA ASN B 134 -3.104 10.289 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.006 9.202 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -3.365 10.856 -2.096 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.519 8.772 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -5.013 8.941 -0.596 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.498 9.206 -2.731 1.00 0.00 N ATOM 1703 CA GLU B 135 0.925 9.428 -2.499 1.00 0.00 C ATOM 1704 C GLU B 135 1.689 9.329 -3.821 1.00 0.00 C ATOM 1705 O GLU B 135 2.725 9.964 -3.998 1.00 0.00 O ATOM 1706 CB GLU B 135 1.478 8.405 -1.495 1.00 0.00 C ATOM 1707 CG GLU B 135 0.760 8.399 -0.147 1.00 0.00 C ATOM 1708 CD GLU B 135 0.812 9.736 0.564 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -0.004 10.617 0.227 1.00 0.00 O ATOM 1710 OE2 GLU B 135 1.664 9.896 1.462 1.00 0.00 O ATOM 0 H GLU B 135 -0.888 8.405 -2.235 1.00 0.00 H new ATOM 0 HA GLU B 135 1.056 10.426 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.411 7.409 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.536 8.610 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -0.282 8.116 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU B 135 1.207 7.638 0.492 1.00 0.00 H new ATOM 1717 N ALA B 136 1.147 8.541 -4.755 1.00 0.00 N ATOM 1718 CA ALA B 136 1.738 8.352 -6.069 1.00 0.00 C ATOM 1719 C ALA B 136 1.485 9.564 -6.948 1.00 0.00 C ATOM 1720 O ALA B 136 2.413 10.130 -7.524 1.00 0.00 O ATOM 1721 CB ALA B 136 1.171 7.098 -6.715 1.00 0.00 C ATOM 0 H ALA B 136 0.283 8.018 -4.613 1.00 0.00 H new ATOM 0 HA ALA B 136 2.816 8.234 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.618 6.962 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.397 6.233 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.091 7.198 -6.818 1.00 0.00 H new ATOM 1727 N ARG B 137 0.222 9.977 -7.021 1.00 0.00 N ATOM 1728 CA ARG B 137 -0.162 11.147 -7.799 1.00 0.00 C ATOM 1729 C ARG B 137 0.706 12.314 -7.414 1.00 0.00 C ATOM 1730 O ARG B 137 1.239 13.036 -8.257 1.00 0.00 O ATOM 1731 CB ARG B 137 -1.592 11.542 -7.487 1.00 0.00 C ATOM 1732 CG ARG B 137 -2.554 11.351 -8.639 1.00 0.00 C ATOM 1733 CD ARG B 137 -2.209 12.257 -9.808 1.00 0.00 C ATOM 1734 NE ARG B 137 -2.604 11.661 -11.085 1.00 0.00 N ATOM 1735 CZ ARG B 137 -1.987 11.872 -12.241 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -0.940 12.675 -12.313 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -2.425 11.273 -13.330 1.00 0.00 N ATOM 0 H ARG B 137 -0.554 9.515 -6.548 1.00 0.00 H new ATOM 0 HA ARG B 137 -0.053 10.900 -8.855 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.941 10.957 -6.636 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -1.610 12.589 -7.183 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -2.532 10.311 -8.964 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -3.570 11.558 -8.304 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -2.708 13.218 -9.684 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -1.137 12.453 -9.813 1.00 0.00 H new ATOM 0 HE ARG B 137 -3.412 11.038 -11.087 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -0.596 13.142 -11.474 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -0.475 12.828 -13.208 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -3.233 10.652 -13.281 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -1.956 11.430 -14.222 1.00 0.00 H new ATOM 1751 N ARG B 138 0.792 12.501 -6.108 1.00 0.00 N ATOM 1752 CA ARG B 138 1.545 13.593 -5.540 1.00 0.00 C ATOM 1753 C ARG B 138 3.072 13.437 -5.706 1.00 0.00 C ATOM 1754 O ARG B 138 3.793 14.412 -5.524 1.00 0.00 O ATOM 1755 CB ARG B 138 1.189 13.776 -4.061 1.00 0.00 C ATOM 1756 CG ARG B 138 0.102 14.816 -3.825 1.00 0.00 C ATOM 1757 CD ARG B 138 0.534 16.198 -4.297 1.00 0.00 C ATOM 1758 NE ARG B 138 -0.610 17.021 -4.707 1.00 0.00 N ATOM 1759 CZ ARG B 138 -0.512 18.202 -5.307 1.00 0.00 C ATOM 1760 NH1 ARG B 138 0.671 18.717 -5.594 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -1.609 18.864 -5.614 1.00 0.00 N ATOM 0 H ARG B 138 0.342 11.899 -5.418 1.00 0.00 H new ATOM 0 HA ARG B 138 1.262 14.484 -6.100 1.00 0.00 H new ATOM 0 HB2 ARG B 138 0.862 12.820 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.085 14.067 -3.513 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -0.806 14.519 -4.350 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -0.142 14.854 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG B 138 1.075 16.702 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG B 138 1.225 16.096 -5.133 1.00 0.00 H new ATOM 0 HE ARG B 138 -1.545 16.661 -4.518 1.00 0.00 H new ATOM 0 HH11 ARG B 138 1.521 18.207 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG B 138 0.734 19.625 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -2.522 18.469 -5.391 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -1.545 19.772 -6.075 1.00 0.00 H new