USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 560 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 Single : A 1 GLY N :NH3+ 133:sc= 0.0137 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= -0.016 (180deg=-0.152) USER MOD Single : A 5 GLN : amide:sc= -0.241 K(o=-0.24,f=-1) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 1.29 (180deg=1.05) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0432) USER MOD Single : A 17 ASN :FLIP amide:sc= -1.9! C(o=-2.6!,f=-1.9!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.205 K(o=-0.2,f=-1.5) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0069 F(o=-1,f=-0.0069) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0206) USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= 0.25 (180deg=-0.135) USER MOD Single : B 1 GLY N :NH3+ 132:sc= 0.016 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -178:sc= 0 (180deg=-0.00157) USER MOD Single : B 4 LYS NZ :NH3+ -169:sc= -0.0252 (180deg=-0.171) USER MOD Single : B 5 GLN : amide:sc= -0.239 K(o=-0.24,f=-1) USER MOD Single : B 9 LYS NZ :NH3+ -160:sc= 1.3 (180deg=1.05) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.038) USER MOD Single : B 17 ASN :FLIP amide:sc= -1.28! C(o=-2.3!,f=-1.3!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-1.5) USER MOD Single : B 22 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.029) USER MOD Single : B 29 LYS NZ :NH3+ -118:sc= 0.252 (180deg=-0.139) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.406 -3.857 -5.252 1.00 0.00 N ATOM 2 CA GLY A 1 19.917 -2.459 -5.320 1.00 0.00 C ATOM 3 C GLY A 1 20.785 -1.516 -4.518 1.00 0.00 C ATOM 4 O GLY A 1 21.277 -1.881 -3.451 1.00 0.00 O ATOM 0 H1 GLY A 1 19.609 -4.494 -5.053 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.840 -4.118 -6.161 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.113 -3.941 -4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.893 -2.134 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.893 -2.414 -4.948 1.00 0.00 H new ATOM 10 N SER A 2 20.982 -0.309 -5.030 1.00 0.00 N ATOM 11 CA SER A 2 21.786 0.689 -4.341 1.00 0.00 C ATOM 12 C SER A 2 21.026 1.255 -3.143 1.00 0.00 C ATOM 13 O SER A 2 19.795 1.207 -3.115 1.00 0.00 O ATOM 14 CB SER A 2 22.167 1.806 -5.310 1.00 0.00 C ATOM 15 OG SER A 2 22.837 1.282 -6.444 1.00 0.00 O ATOM 0 H SER A 2 20.595 0.002 -5.921 1.00 0.00 H new ATOM 0 HA SER A 2 22.696 0.216 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.271 2.341 -5.626 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.808 2.529 -4.805 1.00 0.00 H new ATOM 0 HG SER A 2 23.071 2.014 -7.053 1.00 0.00 H new ATOM 21 N MET A 3 21.748 1.794 -2.165 1.00 0.00 N ATOM 22 CA MET A 3 21.130 2.241 -0.917 1.00 0.00 C ATOM 23 C MET A 3 20.047 3.284 -1.164 1.00 0.00 C ATOM 24 O MET A 3 18.881 3.055 -0.840 1.00 0.00 O ATOM 25 CB MET A 3 22.182 2.804 0.041 1.00 0.00 C ATOM 26 CG MET A 3 23.115 1.752 0.612 1.00 0.00 C ATOM 27 SD MET A 3 24.319 2.446 1.761 1.00 0.00 S ATOM 28 CE MET A 3 25.155 0.957 2.298 1.00 0.00 C ATOM 0 H MET A 3 22.758 1.932 -2.210 1.00 0.00 H new ATOM 0 HA MET A 3 20.663 1.368 -0.462 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.773 3.555 -0.484 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.677 3.313 0.862 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.528 0.989 1.123 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.641 1.256 -0.204 1.00 0.00 H new ATOM 0 HE1 MET A 3 25.934 1.216 3.016 1.00 0.00 H new ATOM 0 HE2 MET A 3 24.436 0.286 2.768 1.00 0.00 H new ATOM 0 HE3 MET A 3 25.605 0.462 1.437 1.00 0.00 H new ATOM 38 N LYS A 4 20.415 4.408 -1.772 1.00 0.00 N ATOM 39 CA LYS A 4 19.448 5.475 -2.020 1.00 0.00 C ATOM 40 C LYS A 4 18.360 5.012 -2.993 1.00 0.00 C ATOM 41 O LYS A 4 17.240 5.516 -2.973 1.00 0.00 O ATOM 42 CB LYS A 4 20.146 6.751 -2.528 1.00 0.00 C ATOM 43 CG LYS A 4 20.332 6.850 -4.041 1.00 0.00 C ATOM 44 CD LYS A 4 21.265 5.786 -4.595 1.00 0.00 C ATOM 45 CE LYS A 4 21.567 6.026 -6.067 1.00 0.00 C ATOM 46 NZ LYS A 4 20.331 6.167 -6.884 1.00 0.00 N ATOM 0 H LYS A 4 21.361 4.603 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 4 18.967 5.718 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.570 7.614 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.126 6.819 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.361 6.763 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.725 7.836 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.195 5.784 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.813 4.802 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.171 6.927 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.162 5.198 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.576 6.125 -7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.673 5.395 -6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.879 7.080 -6.675 1.00 0.00 H new ATOM 60 N GLN A 5 18.691 4.019 -3.813 1.00 0.00 N ATOM 61 CA GLN A 5 17.755 3.468 -4.781 1.00 0.00 C ATOM 62 C GLN A 5 16.639 2.720 -4.070 1.00 0.00 C ATOM 63 O GLN A 5 15.459 2.944 -4.339 1.00 0.00 O ATOM 64 CB GLN A 5 18.493 2.529 -5.734 1.00 0.00 C ATOM 65 CG GLN A 5 17.584 1.790 -6.702 1.00 0.00 C ATOM 66 CD GLN A 5 18.353 0.828 -7.581 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.551 -0.332 -7.224 1.00 0.00 O ATOM 68 NE2 GLN A 5 18.793 1.301 -8.732 1.00 0.00 N ATOM 0 H GLN A 5 19.610 3.577 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 5 17.315 4.285 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.221 3.106 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 5 19.052 1.800 -5.148 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.827 1.242 -6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.058 2.511 -7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.607 2.270 -8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 5 19.319 0.697 -9.364 1.00 0.00 H new ATOM 77 N LEU A 6 17.024 1.843 -3.155 1.00 0.00 N ATOM 78 CA LEU A 6 16.061 1.067 -2.390 1.00 0.00 C ATOM 79 C LEU A 6 15.320 1.973 -1.420 1.00 0.00 C ATOM 80 O LEU A 6 14.126 1.799 -1.180 1.00 0.00 O ATOM 81 CB LEU A 6 16.763 -0.067 -1.636 1.00 0.00 C ATOM 82 CG LEU A 6 17.388 -1.151 -2.523 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.225 -2.102 -1.689 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.306 -1.914 -3.272 1.00 0.00 C ATOM 0 H LEU A 6 17.999 1.651 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 6 15.341 0.624 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.545 0.363 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.043 -0.538 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 6 18.038 -0.667 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.661 -2.865 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.022 -1.547 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.595 -2.579 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.767 -2.679 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.632 -2.386 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.743 -1.224 -3.900 1.00 0.00 H new ATOM 96 N GLU A 7 16.039 2.953 -0.884 1.00 0.00 N ATOM 97 CA GLU A 7 15.467 3.935 0.022 1.00 0.00 C ATOM 98 C GLU A 7 14.299 4.665 -0.638 1.00 0.00 C ATOM 99 O GLU A 7 13.250 4.858 -0.021 1.00 0.00 O ATOM 100 CB GLU A 7 16.545 4.935 0.442 1.00 0.00 C ATOM 101 CG GLU A 7 16.104 5.911 1.515 1.00 0.00 C ATOM 102 CD GLU A 7 17.157 6.950 1.817 1.00 0.00 C ATOM 103 OE1 GLU A 7 18.077 6.662 2.610 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.072 8.069 1.270 1.00 0.00 O ATOM 0 H GLU A 7 17.034 3.087 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 7 15.090 3.419 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.414 4.385 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.865 5.497 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.188 6.408 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.867 5.362 2.426 1.00 0.00 H new ATOM 111 N ASP A 8 14.489 5.063 -1.896 1.00 0.00 N ATOM 112 CA ASP A 8 13.437 5.729 -2.663 1.00 0.00 C ATOM 113 C ASP A 8 12.203 4.845 -2.782 1.00 0.00 C ATOM 114 O ASP A 8 11.078 5.320 -2.655 1.00 0.00 O ATOM 115 CB ASP A 8 13.926 6.109 -4.065 1.00 0.00 C ATOM 116 CG ASP A 8 14.577 7.476 -4.111 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.873 8.479 -3.875 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.789 7.561 -4.401 1.00 0.00 O ATOM 0 H ASP A 8 15.363 4.935 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 8 13.174 6.638 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.639 5.361 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.083 6.090 -4.756 1.00 0.00 H new ATOM 123 N LYS A 9 12.426 3.562 -3.034 1.00 0.00 N ATOM 124 CA LYS A 9 11.314 2.590 -3.137 1.00 0.00 C ATOM 125 C LYS A 9 10.543 2.506 -1.832 1.00 0.00 C ATOM 126 O LYS A 9 9.313 2.467 -1.833 1.00 0.00 O ATOM 127 CB LYS A 9 11.791 1.175 -3.473 1.00 0.00 C ATOM 128 CG LYS A 9 12.889 1.099 -4.531 1.00 0.00 C ATOM 129 CD LYS A 9 12.481 1.769 -5.842 1.00 0.00 C ATOM 130 CE LYS A 9 11.141 1.262 -6.355 1.00 0.00 C ATOM 131 NZ LYS A 9 10.658 2.064 -7.506 1.00 0.00 N ATOM 0 H LYS A 9 13.353 3.160 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 9 10.682 2.958 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.154 0.704 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.936 0.591 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.792 1.575 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.135 0.054 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.427 2.848 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.248 1.588 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.236 0.218 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.406 1.298 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.635 1.918 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.846 3.072 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.154 1.765 -8.370 1.00 0.00 H new ATOM 145 N VAL A 10 11.284 2.462 -0.727 1.00 0.00 N ATOM 146 CA VAL A 10 10.692 2.396 0.606 1.00 0.00 C ATOM 147 C VAL A 10 9.751 3.576 0.775 1.00 0.00 C ATOM 148 O VAL A 10 8.682 3.477 1.376 1.00 0.00 O ATOM 149 CB VAL A 10 11.776 2.433 1.707 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.151 2.391 3.094 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.752 1.279 1.531 1.00 0.00 C ATOM 0 H VAL A 10 12.304 2.471 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 10 10.150 1.455 0.705 1.00 0.00 H new ATOM 0 HB VAL A 10 12.321 3.372 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.937 2.418 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.494 3.251 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.573 1.473 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.509 1.320 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.213 0.334 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.234 1.356 0.556 1.00 0.00 H new ATOM 161 N GLU A 11 10.157 4.683 0.180 1.00 0.00 N ATOM 162 CA GLU A 11 9.358 5.905 0.193 1.00 0.00 C ATOM 163 C GLU A 11 8.156 5.801 -0.755 1.00 0.00 C ATOM 164 O GLU A 11 7.021 6.062 -0.346 1.00 0.00 O ATOM 165 CB GLU A 11 10.213 7.117 -0.181 1.00 0.00 C ATOM 166 CG GLU A 11 11.328 7.411 0.811 1.00 0.00 C ATOM 167 CD GLU A 11 10.816 7.656 2.218 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.217 8.725 2.466 1.00 0.00 O ATOM 169 OE2 GLU A 11 11.025 6.791 3.090 1.00 0.00 O ATOM 0 H GLU A 11 11.041 4.765 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 11 8.982 6.036 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.650 6.952 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.570 7.993 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.026 6.574 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.885 8.285 0.475 1.00 0.00 H new ATOM 176 N GLU A 12 8.409 5.425 -2.015 1.00 0.00 N ATOM 177 CA GLU A 12 7.349 5.323 -3.025 1.00 0.00 C ATOM 178 C GLU A 12 6.222 4.402 -2.562 1.00 0.00 C ATOM 179 O GLU A 12 5.072 4.822 -2.425 1.00 0.00 O ATOM 180 CB GLU A 12 7.911 4.784 -4.344 1.00 0.00 C ATOM 181 CG GLU A 12 8.976 5.657 -4.983 1.00 0.00 C ATOM 182 CD GLU A 12 9.441 5.101 -6.313 1.00 0.00 C ATOM 183 OE1 GLU A 12 10.524 4.486 -6.366 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.707 5.250 -7.311 1.00 0.00 O ATOM 0 H GLU A 12 9.339 5.186 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 12 6.951 6.327 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.330 3.794 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.090 4.661 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.582 6.663 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.828 5.743 -4.308 1.00 0.00 H new ATOM 191 N LEU A 13 6.572 3.143 -2.334 1.00 0.00 N ATOM 192 CA LEU A 13 5.621 2.120 -1.912 1.00 0.00 C ATOM 193 C LEU A 13 4.844 2.531 -0.665 1.00 0.00 C ATOM 194 O LEU A 13 3.655 2.246 -0.558 1.00 0.00 O ATOM 195 CB LEU A 13 6.349 0.800 -1.656 1.00 0.00 C ATOM 196 CG LEU A 13 7.001 0.170 -2.888 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.796 -1.062 -2.495 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.948 -0.184 -3.927 1.00 0.00 C ATOM 0 H LEU A 13 7.527 2.800 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 13 4.901 1.995 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.118 0.967 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.640 0.087 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 13 7.685 0.897 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.253 -1.498 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.575 -0.781 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.131 -1.792 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.430 -0.631 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.240 -0.894 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.418 0.719 -4.230 1.00 0.00 H new ATOM 210 N LEU A 14 5.510 3.190 0.277 1.00 0.00 N ATOM 211 CA LEU A 14 4.847 3.656 1.486 1.00 0.00 C ATOM 212 C LEU A 14 3.849 4.763 1.155 1.00 0.00 C ATOM 213 O LEU A 14 2.740 4.779 1.686 1.00 0.00 O ATOM 214 CB LEU A 14 5.870 4.138 2.524 1.00 0.00 C ATOM 215 CG LEU A 14 5.283 4.615 3.856 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.577 3.478 4.580 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.375 5.206 4.733 1.00 0.00 C ATOM 0 H LEU A 14 6.504 3.412 0.226 1.00 0.00 H new ATOM 0 HA LEU A 14 4.301 2.818 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.568 3.325 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.447 4.954 2.088 1.00 0.00 H new ATOM 0 HG LEU A 14 4.546 5.389 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.170 3.844 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.767 3.098 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.288 2.676 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.943 5.541 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.133 4.448 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.833 6.053 4.223 1.00 0.00 H new ATOM 229 N SER A 15 4.235 5.677 0.264 1.00 0.00 N ATOM 230 CA SER A 15 3.331 6.727 -0.183 1.00 0.00 C ATOM 231 C SER A 15 2.104 6.111 -0.855 1.00 0.00 C ATOM 232 O SER A 15 0.968 6.535 -0.617 1.00 0.00 O ATOM 233 CB SER A 15 4.059 7.668 -1.150 1.00 0.00 C ATOM 234 OG SER A 15 3.257 8.785 -1.492 1.00 0.00 O ATOM 0 H SER A 15 5.163 5.708 -0.158 1.00 0.00 H new ATOM 0 HA SER A 15 3.000 7.304 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.988 8.012 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.330 7.123 -2.054 1.00 0.00 H new ATOM 0 HG SER A 15 3.751 9.366 -2.108 1.00 0.00 H new ATOM 240 N LYS A 16 2.338 5.096 -1.680 1.00 0.00 N ATOM 241 CA LYS A 16 1.256 4.382 -2.344 1.00 0.00 C ATOM 242 C LYS A 16 0.424 3.609 -1.323 1.00 0.00 C ATOM 243 O LYS A 16 -0.799 3.609 -1.385 1.00 0.00 O ATOM 244 CB LYS A 16 1.815 3.424 -3.401 1.00 0.00 C ATOM 245 CG LYS A 16 0.742 2.668 -4.173 1.00 0.00 C ATOM 246 CD LYS A 16 1.349 1.630 -5.105 1.00 0.00 C ATOM 247 CE LYS A 16 0.278 0.778 -5.774 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.618 1.581 -6.648 1.00 0.00 N ATOM 0 H LYS A 16 3.271 4.749 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 16 0.615 5.112 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.425 3.990 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.474 2.705 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.066 2.178 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.145 3.373 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.945 2.131 -5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.026 0.987 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.755 -0.003 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.316 0.279 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.287 0.949 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.146 2.265 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.049 2.091 -7.354 1.00 0.00 H new ATOM 262 N ASN A 17 1.101 2.954 -0.385 1.00 0.00 N ATOM 263 CA ASN A 17 0.437 2.185 0.666 1.00 0.00 C ATOM 264 C ASN A 17 -0.570 3.048 1.421 1.00 0.00 C ATOM 265 O ASN A 17 -1.688 2.612 1.698 1.00 0.00 O ATOM 266 CB ASN A 17 1.479 1.616 1.638 1.00 0.00 C ATOM 267 CG ASN A 17 0.880 0.678 2.677 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.878 -0.622 2.405 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 0.445 1.116 3.737 1.00 0.00 N flip ATOM 0 H ASN A 17 2.119 2.940 -0.330 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.104 1.362 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.241 1.081 1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.980 2.440 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.459 2.120 3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.069 0.477 4.437 1.00 0.00 H new ATOM 276 N TYR A 18 -0.176 4.283 1.714 1.00 0.00 N ATOM 277 CA TYR A 18 -1.048 5.218 2.424 1.00 0.00 C ATOM 278 C TYR A 18 -2.318 5.482 1.624 1.00 0.00 C ATOM 279 O TYR A 18 -3.407 5.589 2.193 1.00 0.00 O ATOM 280 CB TYR A 18 -0.339 6.548 2.716 1.00 0.00 C ATOM 281 CG TYR A 18 0.684 6.486 3.835 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.414 5.804 5.018 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.917 7.122 3.717 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.338 5.753 6.040 1.00 0.00 C ATOM 285 CE2 TYR A 18 2.845 7.072 4.737 1.00 0.00 C ATOM 286 CZ TYR A 18 2.552 6.386 5.894 1.00 0.00 C ATOM 287 OH TYR A 18 3.477 6.335 6.912 1.00 0.00 O ATOM 0 H TYR A 18 0.740 4.661 1.472 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.309 4.754 3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.157 6.888 1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.090 7.297 2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.537 5.306 5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.151 7.663 2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.111 5.219 6.951 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.798 7.569 4.628 1.00 0.00 H new ATOM 0 HH TYR A 18 4.280 6.831 6.649 1.00 0.00 H new ATOM 297 N HIS A 19 -2.168 5.576 0.303 1.00 0.00 N ATOM 298 CA HIS A 19 -3.302 5.792 -0.593 1.00 0.00 C ATOM 299 C HIS A 19 -4.366 4.729 -0.375 1.00 0.00 C ATOM 300 O HIS A 19 -5.539 5.040 -0.164 1.00 0.00 O ATOM 301 CB HIS A 19 -2.846 5.759 -2.060 1.00 0.00 C ATOM 302 CG HIS A 19 -3.960 5.965 -3.046 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.317 7.198 -3.541 1.00 0.00 N ATOM 304 CD2 HIS A 19 -4.810 5.076 -3.614 1.00 0.00 C ATOM 305 CE1 HIS A 19 -5.340 7.058 -4.365 1.00 0.00 C ATOM 306 NE2 HIS A 19 -5.660 5.778 -4.428 1.00 0.00 N ATOM 0 H HIS A 19 -1.268 5.505 -0.171 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.723 6.772 -0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.091 6.530 -2.213 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.368 4.800 -2.261 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.817 4.008 -3.454 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.833 7.857 -4.899 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.413 5.379 -4.988 1.00 0.00 H new ATOM 315 N LEU A 20 -3.948 3.475 -0.417 1.00 0.00 N ATOM 316 CA LEU A 20 -4.878 2.366 -0.319 1.00 0.00 C ATOM 317 C LEU A 20 -5.485 2.297 1.076 1.00 0.00 C ATOM 318 O LEU A 20 -6.681 2.054 1.216 1.00 0.00 O ATOM 319 CB LEU A 20 -4.207 1.033 -0.663 1.00 0.00 C ATOM 320 CG LEU A 20 -3.828 0.799 -2.136 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.054 0.891 -3.022 1.00 0.00 C ATOM 322 CD2 LEU A 20 -2.757 1.759 -2.615 1.00 0.00 C ATOM 0 H LEU A 20 -2.971 3.201 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.671 2.542 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.302 0.945 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.874 0.229 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.413 -0.207 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.766 0.723 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.779 0.135 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.500 1.881 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.525 1.553 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.117 2.783 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.858 1.632 -2.012 1.00 0.00 H new ATOM 334 N GLU A 21 -4.665 2.530 2.104 1.00 0.00 N ATOM 335 CA GLU A 21 -5.152 2.511 3.485 1.00 0.00 C ATOM 336 C GLU A 21 -6.316 3.481 3.659 1.00 0.00 C ATOM 337 O GLU A 21 -7.313 3.164 4.312 1.00 0.00 O ATOM 338 CB GLU A 21 -4.048 2.890 4.478 1.00 0.00 C ATOM 339 CG GLU A 21 -2.900 1.898 4.583 1.00 0.00 C ATOM 340 CD GLU A 21 -1.971 2.235 5.727 1.00 0.00 C ATOM 341 OE1 GLU A 21 -1.860 1.418 6.666 1.00 0.00 O ATOM 342 OE2 GLU A 21 -1.370 3.332 5.713 1.00 0.00 O ATOM 0 H GLU A 21 -3.670 2.732 2.008 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.481 1.492 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.643 3.861 4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.495 3.009 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.299 0.893 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.339 1.891 3.649 1.00 0.00 H new ATOM 349 N ASN A 22 -6.177 4.665 3.073 1.00 0.00 N ATOM 350 CA ASN A 22 -7.201 5.699 3.176 1.00 0.00 C ATOM 351 C ASN A 22 -8.494 5.249 2.512 1.00 0.00 C ATOM 352 O ASN A 22 -9.578 5.408 3.076 1.00 0.00 O ATOM 353 CB ASN A 22 -6.720 7.008 2.543 1.00 0.00 C ATOM 354 CG ASN A 22 -5.534 7.628 3.266 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.464 7.455 4.577 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 -4.691 8.276 2.646 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.363 4.933 2.520 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.392 5.871 4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.446 6.822 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.543 7.722 2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.776 8.389 1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.907 8.700 3.142 1.00 0.00 H new ATOM 363 N GLU A 23 -8.379 4.672 1.320 1.00 0.00 N ATOM 364 CA GLU A 23 -9.554 4.225 0.585 1.00 0.00 C ATOM 365 C GLU A 23 -10.204 3.029 1.272 1.00 0.00 C ATOM 366 O GLU A 23 -11.428 2.963 1.362 1.00 0.00 O ATOM 367 CB GLU A 23 -9.210 3.892 -0.869 1.00 0.00 C ATOM 368 CG GLU A 23 -8.657 5.080 -1.638 1.00 0.00 C ATOM 369 CD GLU A 23 -8.850 4.954 -3.134 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.889 5.424 -3.642 1.00 0.00 O ATOM 371 OE2 GLU A 23 -7.964 4.395 -3.812 1.00 0.00 O ATOM 0 H GLU A 23 -7.491 4.504 0.847 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.270 5.047 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.479 3.083 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.104 3.525 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.144 5.991 -1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.594 5.184 -1.421 1.00 0.00 H new ATOM 378 N VAL A 24 -9.388 2.099 1.771 1.00 0.00 N ATOM 379 CA VAL A 24 -9.905 0.950 2.514 1.00 0.00 C ATOM 380 C VAL A 24 -10.794 1.423 3.668 1.00 0.00 C ATOM 381 O VAL A 24 -11.936 0.986 3.813 1.00 0.00 O ATOM 382 CB VAL A 24 -8.772 0.062 3.086 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.323 -0.965 4.066 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.032 -0.642 1.966 1.00 0.00 C ATOM 0 H VAL A 24 -8.373 2.119 1.675 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.483 0.353 1.809 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.078 0.711 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.506 -1.575 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.815 -0.452 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.043 -1.605 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.240 -1.261 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.727 -1.271 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.596 0.099 1.296 1.00 0.00 H new ATOM 394 N ALA A 25 -10.256 2.337 4.473 1.00 0.00 N ATOM 395 CA ALA A 25 -10.976 2.878 5.624 1.00 0.00 C ATOM 396 C ALA A 25 -12.272 3.576 5.212 1.00 0.00 C ATOM 397 O ALA A 25 -13.304 3.420 5.868 1.00 0.00 O ATOM 398 CB ALA A 25 -10.086 3.841 6.390 1.00 0.00 C ATOM 0 H ALA A 25 -9.319 2.720 4.348 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.245 2.040 6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.632 4.239 7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.197 3.316 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.790 4.661 5.736 1.00 0.00 H new ATOM 404 N ARG A 26 -12.214 4.352 4.136 1.00 0.00 N ATOM 405 CA ARG A 26 -13.385 5.065 3.641 1.00 0.00 C ATOM 406 C ARG A 26 -14.453 4.084 3.180 1.00 0.00 C ATOM 407 O ARG A 26 -15.601 4.148 3.621 1.00 0.00 O ATOM 408 CB ARG A 26 -12.999 5.987 2.485 1.00 0.00 C ATOM 409 CG ARG A 26 -14.168 6.779 1.925 1.00 0.00 C ATOM 410 CD ARG A 26 -13.765 7.568 0.694 1.00 0.00 C ATOM 411 NE ARG A 26 -14.878 8.340 0.154 1.00 0.00 N ATOM 412 CZ ARG A 26 -14.894 8.868 -1.068 1.00 0.00 C ATOM 413 NH1 ARG A 26 -13.860 8.695 -1.885 1.00 0.00 N ATOM 414 NH2 ARG A 26 -15.946 9.563 -1.476 1.00 0.00 N ATOM 0 H ARG A 26 -11.367 4.504 3.589 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.786 5.666 4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.230 6.681 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.559 5.390 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.982 6.099 1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.546 7.460 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.945 8.241 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.393 6.885 -0.069 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.694 8.484 0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.051 8.156 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.876 9.101 -2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.744 9.693 -0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.958 9.967 -2.412 1.00 0.00 H new ATOM 428 N LEU A 27 -14.058 3.170 2.301 1.00 0.00 N ATOM 429 CA LEU A 27 -14.976 2.181 1.750 1.00 0.00 C ATOM 430 C LEU A 27 -15.559 1.289 2.847 1.00 0.00 C ATOM 431 O LEU A 27 -16.661 0.763 2.704 1.00 0.00 O ATOM 432 CB LEU A 27 -14.262 1.325 0.699 1.00 0.00 C ATOM 433 CG LEU A 27 -13.702 2.093 -0.499 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.882 1.174 -1.384 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.824 2.737 -1.298 1.00 0.00 C ATOM 0 H LEU A 27 -13.102 3.094 1.953 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.800 2.716 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.443 0.793 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.960 0.572 0.333 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.052 2.883 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.492 1.738 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.053 0.761 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.512 0.362 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.403 3.278 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.502 1.965 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.373 3.431 -0.661 1.00 0.00 H new ATOM 447 N LYS A 28 -14.828 1.144 3.949 1.00 0.00 N ATOM 448 CA LYS A 28 -15.265 0.300 5.050 1.00 0.00 C ATOM 449 C LYS A 28 -16.495 0.915 5.709 1.00 0.00 C ATOM 450 O LYS A 28 -17.493 0.233 5.950 1.00 0.00 O ATOM 451 CB LYS A 28 -14.143 0.143 6.080 1.00 0.00 C ATOM 452 CG LYS A 28 -14.023 -1.258 6.663 1.00 0.00 C ATOM 453 CD LYS A 28 -13.516 -2.246 5.622 1.00 0.00 C ATOM 454 CE LYS A 28 -13.300 -3.631 6.210 1.00 0.00 C ATOM 455 NZ LYS A 28 -14.573 -4.264 6.644 1.00 0.00 N ATOM 0 H LYS A 28 -13.929 1.602 4.100 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.519 -0.686 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.196 0.412 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.310 0.850 6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.344 -1.243 7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.994 -1.584 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.231 -2.308 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.579 -1.881 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.815 -4.266 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.623 -3.560 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.387 -5.237 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.982 -3.718 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.242 -4.280 5.848 1.00 0.00 H new ATOM 469 N LYS A 29 -16.415 2.212 5.992 1.00 0.00 N ATOM 470 CA LYS A 29 -17.545 2.951 6.538 1.00 0.00 C ATOM 471 C LYS A 29 -18.731 2.929 5.574 1.00 0.00 C ATOM 472 O LYS A 29 -19.883 2.923 6.005 1.00 0.00 O ATOM 473 CB LYS A 29 -17.139 4.403 6.823 1.00 0.00 C ATOM 474 CG LYS A 29 -15.902 4.550 7.702 1.00 0.00 C ATOM 475 CD LYS A 29 -15.460 5.999 7.797 1.00 0.00 C ATOM 476 CE LYS A 29 -14.240 6.155 8.692 1.00 0.00 C ATOM 477 NZ LYS A 29 -13.054 5.439 8.155 1.00 0.00 N ATOM 0 H LYS A 29 -15.575 2.773 5.851 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.845 2.469 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.958 4.910 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.974 4.913 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.115 4.167 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.091 3.946 7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.231 6.376 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.278 6.605 8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.004 7.214 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.471 5.776 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.779 4.681 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.287 5.027 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.264 6.107 8.048 1.00 0.00 H new ATOM 491 N LEU A 30 -18.439 2.903 4.275 1.00 0.00 N ATOM 492 CA LEU A 30 -19.479 2.949 3.248 1.00 0.00 C ATOM 493 C LEU A 30 -20.226 1.622 3.140 1.00 0.00 C ATOM 494 O LEU A 30 -21.452 1.603 3.055 1.00 0.00 O ATOM 495 CB LEU A 30 -18.877 3.324 1.893 1.00 0.00 C ATOM 496 CG LEU A 30 -18.167 4.678 1.848 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.678 4.979 0.441 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.090 5.783 2.338 1.00 0.00 C ATOM 0 H LEU A 30 -17.489 2.850 3.908 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.197 3.714 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.167 2.550 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.672 3.324 1.148 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.303 4.633 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.176 5.946 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.980 4.204 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.527 5.003 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.567 6.738 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.974 5.827 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.391 5.577 3.365 1.00 0.00 H new ATOM 510 N VAL A 31 -19.490 0.515 3.112 1.00 0.00 N ATOM 511 CA VAL A 31 -20.111 -0.807 3.138 1.00 0.00 C ATOM 512 C VAL A 31 -20.825 -1.050 4.473 1.00 0.00 C ATOM 513 O VAL A 31 -21.821 -1.775 4.533 1.00 0.00 O ATOM 514 CB VAL A 31 -19.071 -1.926 2.902 1.00 0.00 C ATOM 515 CG1 VAL A 31 -19.744 -3.288 2.845 1.00 0.00 C ATOM 516 CG2 VAL A 31 -18.288 -1.671 1.625 1.00 0.00 C ATOM 0 H VAL A 31 -18.471 0.505 3.072 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.841 -0.833 2.329 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.376 -1.921 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.992 -4.059 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.257 -3.480 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.466 -3.303 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.562 -2.470 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -18.973 -1.643 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.767 -0.717 1.702 1.00 0.00 H new ATOM 526 N GLY A 32 -20.315 -0.442 5.540 1.00 0.00 N ATOM 527 CA GLY A 32 -20.953 -0.557 6.834 1.00 0.00 C ATOM 528 C GLY A 32 -22.255 0.215 6.895 1.00 0.00 C ATOM 529 O GLY A 32 -23.330 -0.372 6.782 1.00 0.00 O ATOM 0 H GLY A 32 -19.470 0.129 5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.144 -1.608 7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.277 -0.189 7.606 1.00 0.00 H new ATOM 533 N GLU A 33 -22.144 1.534 7.053 1.00 0.00 N ATOM 534 CA GLU A 33 -23.303 2.421 7.148 1.00 0.00 C ATOM 535 C GLU A 33 -24.307 1.916 8.177 1.00 0.00 C ATOM 536 O GLU A 33 -24.042 2.084 9.387 1.00 0.00 O ATOM 537 CB GLU A 33 -23.966 2.582 5.774 1.00 0.00 C ATOM 538 CG GLU A 33 -23.167 3.454 4.819 1.00 0.00 C ATOM 539 CD GLU A 33 -23.123 4.904 5.253 1.00 0.00 C ATOM 540 OE1 GLU A 33 -23.880 5.719 4.689 1.00 0.00 O ATOM 541 OE2 GLU A 33 -22.338 5.239 6.166 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.351 1.355 7.781 1.00 0.00 O ATOM 0 H GLU A 33 -21.248 2.017 7.119 1.00 0.00 H new ATOM 0 HA GLU A 33 -22.953 3.398 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -24.104 1.597 5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.958 3.014 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.150 3.069 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -23.604 3.390 3.822 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 20.411 3.695 5.464 1.00 0.00 N ATOM 551 CA GLY B 1 19.932 2.298 5.567 1.00 0.00 C ATOM 552 C GLY B 1 20.795 1.349 4.765 1.00 0.00 C ATOM 553 O GLY B 1 21.268 1.701 3.685 1.00 0.00 O ATOM 0 H1 GLY B 1 19.609 4.322 5.251 1.00 0.00 H new ATOM 0 H2 GLY B 1 20.844 3.981 6.365 1.00 0.00 H new ATOM 0 H3 GLY B 1 21.117 3.765 4.703 1.00 0.00 H new ATOM 0 HA2 GLY B 1 19.929 1.991 6.613 1.00 0.00 H new ATOM 0 HA3 GLY B 1 18.902 2.240 5.214 1.00 0.00 H new ATOM 559 N SER B 2 21.012 0.153 5.294 1.00 0.00 N ATOM 560 CA SER B 2 21.817 -0.850 4.611 1.00 0.00 C ATOM 561 C SER B 2 21.046 -1.445 3.432 1.00 0.00 C ATOM 562 O SER B 2 19.814 -1.409 3.420 1.00 0.00 O ATOM 563 CB SER B 2 22.225 -1.944 5.597 1.00 0.00 C ATOM 564 OG SER B 2 22.891 -1.382 6.716 1.00 0.00 O ATOM 0 H SER B 2 20.641 -0.147 6.196 1.00 0.00 H new ATOM 0 HA SER B 2 22.717 -0.376 4.220 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.342 -2.490 5.929 1.00 0.00 H new ATOM 0 HB3 SER B 2 22.877 -2.663 5.102 1.00 0.00 H new ATOM 0 HG SER B 2 23.144 -2.095 7.338 1.00 0.00 H new ATOM 570 N MET B 3 21.761 -1.991 2.453 1.00 0.00 N ATOM 571 CA MET B 3 21.132 -2.464 1.219 1.00 0.00 C ATOM 572 C MET B 3 20.064 -3.515 1.496 1.00 0.00 C ATOM 573 O MET B 3 18.890 -3.306 1.183 1.00 0.00 O ATOM 574 CB MET B 3 22.177 -3.033 0.255 1.00 0.00 C ATOM 575 CG MET B 3 23.093 -1.981 -0.345 1.00 0.00 C ATOM 576 SD MET B 3 24.290 -2.680 -1.498 1.00 0.00 S ATOM 577 CE MET B 3 25.105 -1.195 -2.077 1.00 0.00 C ATOM 0 H MET B 3 22.773 -2.118 2.487 1.00 0.00 H new ATOM 0 HA MET B 3 20.651 -1.602 0.757 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.782 -3.770 0.783 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.666 -3.559 -0.551 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.492 -1.232 -0.861 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.623 -1.467 0.456 1.00 0.00 H new ATOM 0 HE1 MET B 3 25.851 -1.458 -2.826 1.00 0.00 H new ATOM 0 HE2 MET B 3 24.368 -0.524 -2.519 1.00 0.00 H new ATOM 0 HE3 MET B 3 25.592 -0.697 -1.239 1.00 0.00 H new ATOM 587 N LYS B 4 20.453 -4.623 2.119 1.00 0.00 N ATOM 588 CA LYS B 4 19.503 -5.696 2.400 1.00 0.00 C ATOM 589 C LYS B 4 18.426 -5.228 3.383 1.00 0.00 C ATOM 590 O LYS B 4 17.312 -5.747 3.392 1.00 0.00 O ATOM 591 CB LYS B 4 20.222 -6.954 2.920 1.00 0.00 C ATOM 592 CG LYS B 4 20.431 -7.024 4.431 1.00 0.00 C ATOM 593 CD LYS B 4 21.367 -5.944 4.951 1.00 0.00 C ATOM 594 CE LYS B 4 21.691 -6.156 6.425 1.00 0.00 C ATOM 595 NZ LYS B 4 20.465 -6.290 7.260 1.00 0.00 N ATOM 0 H LYS B 4 21.406 -4.801 2.436 1.00 0.00 H new ATOM 0 HA LYS B 4 19.011 -5.961 1.464 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.651 -7.830 2.610 1.00 0.00 H new ATOM 0 HB3 LYS B 4 21.196 -7.020 2.434 1.00 0.00 H new ATOM 0 HG2 LYS B 4 19.466 -6.933 4.930 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.834 -8.003 4.692 1.00 0.00 H new ATOM 0 HD2 LYS B 4 22.289 -5.948 4.369 1.00 0.00 H new ATOM 0 HD3 LYS B 4 20.908 -4.965 4.814 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.302 -7.052 6.535 1.00 0.00 H new ATOM 0 HE3 LYS B 4 22.285 -5.318 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 20.724 -6.245 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 19.807 -5.516 7.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 20.007 -7.202 7.061 1.00 0.00 H new ATOM 609 N GLN B 5 18.760 -4.218 4.181 1.00 0.00 N ATOM 610 CA GLN B 5 17.834 -3.663 5.154 1.00 0.00 C ATOM 611 C GLN B 5 16.696 -2.943 4.448 1.00 0.00 C ATOM 612 O GLN B 5 15.523 -3.186 4.731 1.00 0.00 O ATOM 613 CB GLN B 5 18.572 -2.697 6.080 1.00 0.00 C ATOM 614 CG GLN B 5 17.668 -1.954 7.047 1.00 0.00 C ATOM 615 CD GLN B 5 18.434 -0.966 7.897 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.609 0.190 7.517 1.00 0.00 O ATOM 617 NE2 GLN B 5 18.901 -1.416 9.049 1.00 0.00 N ATOM 0 H GLN B 5 19.674 -3.766 4.169 1.00 0.00 H new ATOM 0 HA GLN B 5 17.416 -4.476 5.747 1.00 0.00 H new ATOM 0 HB2 GLN B 5 19.316 -3.254 6.650 1.00 0.00 H new ATOM 0 HB3 GLN B 5 19.113 -1.970 5.473 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.895 -1.427 6.488 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.162 -2.671 7.693 1.00 0.00 H new ATOM 0 HE21 GLN B 5 18.732 -2.383 9.325 1.00 0.00 H new ATOM 0 HE22 GLN B 5 19.430 -0.796 9.662 1.00 0.00 H new ATOM 626 N LEU B 6 17.057 -2.075 3.513 1.00 0.00 N ATOM 627 CA LEU B 6 16.075 -1.321 2.750 1.00 0.00 C ATOM 628 C LEU B 6 15.329 -2.251 1.806 1.00 0.00 C ATOM 629 O LEU B 6 14.128 -2.096 1.585 1.00 0.00 O ATOM 630 CB LEU B 6 16.754 -0.193 1.968 1.00 0.00 C ATOM 631 CG LEU B 6 17.378 0.913 2.829 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.199 1.859 1.971 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.298 1.679 3.578 1.00 0.00 C ATOM 0 H LEU B 6 18.026 -1.876 3.265 1.00 0.00 H new ATOM 0 HA LEU B 6 15.360 -0.873 3.441 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.533 -0.625 1.340 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.020 0.258 1.301 1.00 0.00 H new ATOM 0 HG LEU B 6 18.040 0.446 3.558 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.633 2.636 2.600 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.997 1.303 1.478 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.557 2.317 1.219 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.759 2.459 4.183 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.611 2.132 2.863 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.749 0.995 4.225 1.00 0.00 H new ATOM 645 N GLU B 7 16.050 -3.234 1.273 1.00 0.00 N ATOM 646 CA GLU B 7 15.474 -4.234 0.393 1.00 0.00 C ATOM 647 C GLU B 7 14.326 -4.969 1.083 1.00 0.00 C ATOM 648 O GLU B 7 13.271 -5.187 0.482 1.00 0.00 O ATOM 649 CB GLU B 7 16.558 -5.230 -0.028 1.00 0.00 C ATOM 650 CG GLU B 7 16.113 -6.230 -1.076 1.00 0.00 C ATOM 651 CD GLU B 7 17.172 -7.270 -1.352 1.00 0.00 C ATOM 652 OE1 GLU B 7 18.070 -7.006 -2.175 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.117 -8.357 -0.737 1.00 0.00 O ATOM 0 H GLU B 7 17.049 -3.355 1.442 1.00 0.00 H new ATOM 0 HA GLU B 7 15.075 -3.735 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.415 -4.676 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.899 -5.773 0.854 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.200 -6.722 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.872 -5.704 -2.000 1.00 0.00 H new ATOM 660 N ASP B 8 14.537 -5.342 2.346 1.00 0.00 N ATOM 661 CA ASP B 8 13.503 -6.010 3.136 1.00 0.00 C ATOM 662 C ASP B 8 12.263 -5.135 3.258 1.00 0.00 C ATOM 663 O ASP B 8 11.141 -5.618 3.147 1.00 0.00 O ATOM 664 CB ASP B 8 14.017 -6.366 4.535 1.00 0.00 C ATOM 665 CG ASP B 8 14.698 -7.718 4.590 1.00 0.00 C ATOM 666 OD1 ASP B 8 14.015 -8.743 4.380 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.916 -7.769 4.867 1.00 0.00 O ATOM 0 H ASP B 8 15.415 -5.193 2.843 1.00 0.00 H new ATOM 0 HA ASP B 8 13.241 -6.930 2.614 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.718 -5.599 4.864 1.00 0.00 H new ATOM 0 HB3 ASP B 8 13.182 -6.357 5.236 1.00 0.00 H new ATOM 672 N LYS B 9 12.477 -3.846 3.487 1.00 0.00 N ATOM 673 CA LYS B 9 11.357 -2.884 3.592 1.00 0.00 C ATOM 674 C LYS B 9 10.565 -2.829 2.299 1.00 0.00 C ATOM 675 O LYS B 9 9.334 -2.807 2.317 1.00 0.00 O ATOM 676 CB LYS B 9 11.824 -1.458 3.899 1.00 0.00 C ATOM 677 CG LYS B 9 12.936 -1.354 4.940 1.00 0.00 C ATOM 678 CD LYS B 9 12.556 -2.008 6.266 1.00 0.00 C ATOM 679 CE LYS B 9 11.218 -1.503 6.789 1.00 0.00 C ATOM 680 NZ LYS B 9 10.747 -2.294 7.954 1.00 0.00 N ATOM 0 H LYS B 9 13.402 -3.433 3.605 1.00 0.00 H new ATOM 0 HA LYS B 9 10.742 -3.246 4.416 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.169 -0.997 2.973 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.968 -0.878 4.244 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.839 -1.825 4.551 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.173 -0.304 5.111 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.510 -3.089 6.137 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.333 -1.808 7.004 1.00 0.00 H new ATOM 0 HE2 LYS B 9 11.312 -0.455 7.075 1.00 0.00 H new ATOM 0 HE3 LYS B 9 10.475 -1.551 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.722 -2.163 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 10.952 -3.301 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 11.237 -1.972 8.813 1.00 0.00 H new ATOM 694 N VAL B 10 11.289 -2.794 1.183 1.00 0.00 N ATOM 695 CA VAL B 10 10.679 -2.758 -0.143 1.00 0.00 C ATOM 696 C VAL B 10 9.749 -3.952 -0.280 1.00 0.00 C ATOM 697 O VAL B 10 8.676 -3.877 -0.877 1.00 0.00 O ATOM 698 CB VAL B 10 11.747 -2.800 -1.259 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.102 -2.785 -2.636 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.713 -1.633 -1.116 1.00 0.00 C ATOM 0 H VAL B 10 12.309 -2.790 1.172 1.00 0.00 H new ATOM 0 HA VAL B 10 10.125 -1.825 -0.250 1.00 0.00 H new ATOM 0 HB VAL B 10 12.304 -3.731 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.877 -2.815 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.452 -3.654 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.513 -1.875 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.458 -1.678 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL B 10 12.163 -0.695 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.211 -1.689 -0.148 1.00 0.00 H new ATOM 710 N GLU B 11 10.176 -5.043 0.327 1.00 0.00 N ATOM 711 CA GLU B 11 9.391 -6.274 0.348 1.00 0.00 C ATOM 712 C GLU B 11 8.201 -6.165 1.309 1.00 0.00 C ATOM 713 O GLU B 11 7.063 -6.437 0.917 1.00 0.00 O ATOM 714 CB GLU B 11 10.264 -7.468 0.732 1.00 0.00 C ATOM 715 CG GLU B 11 11.369 -7.765 -0.267 1.00 0.00 C ATOM 716 CD GLU B 11 10.837 -8.043 -1.659 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.268 -9.132 -1.875 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.999 -7.183 -2.548 1.00 0.00 O ATOM 0 H GLU B 11 11.068 -5.107 0.817 1.00 0.00 H new ATOM 0 HA GLU B 11 9.003 -6.429 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.710 -7.281 1.709 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.632 -8.350 0.834 1.00 0.00 H new ATOM 0 HG2 GLU B 11 12.055 -6.919 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.943 -8.625 0.077 1.00 0.00 H new ATOM 725 N GLU B 12 8.467 -5.768 2.560 1.00 0.00 N ATOM 726 CA GLU B 12 7.422 -5.660 3.583 1.00 0.00 C ATOM 727 C GLU B 12 6.277 -4.760 3.122 1.00 0.00 C ATOM 728 O GLU B 12 5.129 -5.197 3.009 1.00 0.00 O ATOM 729 CB GLU B 12 7.999 -5.095 4.883 1.00 0.00 C ATOM 730 CG GLU B 12 9.087 -5.946 5.516 1.00 0.00 C ATOM 731 CD GLU B 12 9.564 -5.369 6.833 1.00 0.00 C ATOM 732 OE1 GLU B 12 10.640 -4.737 6.866 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.851 -5.531 7.845 1.00 0.00 O ATOM 0 H GLU B 12 9.400 -5.516 2.887 1.00 0.00 H new ATOM 0 HA GLU B 12 7.036 -6.665 3.753 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.402 -4.102 4.684 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.188 -4.972 5.601 1.00 0.00 H new ATOM 0 HG2 GLU B 12 8.709 -6.956 5.678 1.00 0.00 H new ATOM 0 HG3 GLU B 12 9.930 -6.027 4.829 1.00 0.00 H new ATOM 740 N LEU B 13 6.610 -3.502 2.868 1.00 0.00 N ATOM 741 CA LEU B 13 5.641 -2.498 2.442 1.00 0.00 C ATOM 742 C LEU B 13 4.852 -2.939 1.214 1.00 0.00 C ATOM 743 O LEU B 13 3.659 -2.668 1.119 1.00 0.00 O ATOM 744 CB LEU B 13 6.349 -1.174 2.155 1.00 0.00 C ATOM 745 CG LEU B 13 7.015 -0.517 3.366 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.791 0.717 2.941 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.977 -0.157 4.418 1.00 0.00 C ATOM 0 H LEU B 13 7.562 -3.147 2.951 1.00 0.00 H new ATOM 0 HA LEU B 13 4.931 -2.368 3.259 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.107 -1.344 1.391 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.624 -0.476 1.736 1.00 0.00 H new ATOM 0 HG LEU B 13 7.713 -1.231 3.803 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.258 1.172 3.815 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.561 0.433 2.224 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.111 1.433 2.479 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.470 0.309 5.271 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.254 0.539 3.992 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.462 -1.060 4.745 1.00 0.00 H new ATOM 759 N LEU B 14 5.512 -3.606 0.274 1.00 0.00 N ATOM 760 CA LEU B 14 4.837 -4.099 -0.919 1.00 0.00 C ATOM 761 C LEU B 14 3.856 -5.211 -0.556 1.00 0.00 C ATOM 762 O LEU B 14 2.739 -5.248 -1.070 1.00 0.00 O ATOM 763 CB LEU B 14 5.851 -4.586 -1.963 1.00 0.00 C ATOM 764 CG LEU B 14 5.250 -5.093 -3.277 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.521 -3.975 -4.009 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.335 -5.688 -4.162 1.00 0.00 C ATOM 0 H LEU B 14 6.509 -3.817 0.315 1.00 0.00 H new ATOM 0 HA LEU B 14 4.276 -3.274 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.536 -3.768 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.445 -5.387 -1.522 1.00 0.00 H new ATOM 0 HG LEU B 14 4.526 -5.872 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.103 -4.361 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.716 -3.593 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.221 -3.170 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU B 14 5.892 -6.044 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.082 -4.926 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU B 14 6.810 -6.521 -3.645 1.00 0.00 H new ATOM 778 N SER B 15 4.264 -6.105 0.344 1.00 0.00 N ATOM 779 CA SER B 15 3.379 -7.157 0.823 1.00 0.00 C ATOM 780 C SER B 15 2.151 -6.542 1.502 1.00 0.00 C ATOM 781 O SER B 15 1.017 -6.977 1.280 1.00 0.00 O ATOM 782 CB SER B 15 4.129 -8.073 1.795 1.00 0.00 C ATOM 783 OG SER B 15 3.336 -9.185 2.180 1.00 0.00 O ATOM 0 H SER B 15 5.198 -6.119 0.753 1.00 0.00 H new ATOM 0 HA SER B 15 3.044 -7.753 -0.026 1.00 0.00 H new ATOM 0 HB2 SER B 15 5.049 -8.425 1.328 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.418 -7.507 2.681 1.00 0.00 H new ATOM 0 HG SER B 15 3.844 -9.750 2.799 1.00 0.00 H new ATOM 789 N LYS B 16 2.388 -5.514 2.310 1.00 0.00 N ATOM 790 CA LYS B 16 1.308 -4.801 2.978 1.00 0.00 C ATOM 791 C LYS B 16 0.453 -4.053 1.955 1.00 0.00 C ATOM 792 O LYS B 16 -0.770 -4.066 2.035 1.00 0.00 O ATOM 793 CB LYS B 16 1.872 -3.819 4.011 1.00 0.00 C ATOM 794 CG LYS B 16 0.800 -3.061 4.786 1.00 0.00 C ATOM 795 CD LYS B 16 1.408 -1.999 5.692 1.00 0.00 C ATOM 796 CE LYS B 16 0.338 -1.144 6.361 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.538 -1.939 7.261 1.00 0.00 N ATOM 0 H LYS B 16 3.320 -5.156 2.518 1.00 0.00 H new ATOM 0 HA LYS B 16 0.682 -5.529 3.494 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.498 -4.367 4.715 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.516 -3.101 3.503 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.109 -2.591 4.087 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.219 -3.762 5.385 1.00 0.00 H new ATOM 0 HD2 LYS B 16 2.019 -2.480 6.456 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.071 -1.360 5.109 1.00 0.00 H new ATOM 0 HE2 LYS B 16 0.816 -0.349 6.933 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.271 -0.664 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.206 -1.305 7.744 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.067 -2.638 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.045 -2.431 7.967 1.00 0.00 H new ATOM 811 N ASN B 17 1.109 -3.407 0.995 1.00 0.00 N ATOM 812 CA ASN B 17 0.420 -2.662 -0.059 1.00 0.00 C ATOM 813 C ASN B 17 -0.589 -3.547 -0.785 1.00 0.00 C ATOM 814 O ASN B 17 -1.715 -3.126 -1.053 1.00 0.00 O ATOM 815 CB ASN B 17 1.442 -2.096 -1.054 1.00 0.00 C ATOM 816 CG ASN B 17 0.819 -1.180 -2.099 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.807 0.125 -1.847 1.00 0.00 O flip ATOM 818 ND2 ASN B 17 0.375 -1.636 -3.147 1.00 0.00 N flip ATOM 0 H ASN B 17 2.126 -3.384 0.924 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.124 -1.838 0.403 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.206 -1.544 -0.506 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.945 -2.922 -1.558 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.396 -2.642 -3.315 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.016 -1.010 -3.851 1.00 0.00 H new ATOM 825 N TYR B 18 -0.187 -4.784 -1.064 1.00 0.00 N ATOM 826 CA TYR B 18 -1.060 -5.742 -1.744 1.00 0.00 C ATOM 827 C TYR B 18 -2.314 -6.006 -0.918 1.00 0.00 C ATOM 828 O TYR B 18 -3.412 -6.130 -1.463 1.00 0.00 O ATOM 829 CB TYR B 18 -0.338 -7.070 -2.022 1.00 0.00 C ATOM 830 CG TYR B 18 0.665 -7.017 -3.158 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.364 -6.363 -4.349 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.911 -7.631 -3.048 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.271 -6.317 -5.387 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.821 -7.586 -4.087 1.00 0.00 C ATOM 835 CZ TYR B 18 2.496 -6.927 -5.251 1.00 0.00 C ATOM 836 OH TYR B 18 3.402 -6.876 -6.285 1.00 0.00 O ATOM 0 H TYR B 18 0.737 -5.148 -0.831 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.342 -5.299 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.177 -7.385 -1.115 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -1.083 -7.833 -2.248 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.597 -5.883 -4.462 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.169 -8.150 -2.137 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.020 -5.804 -6.303 1.00 0.00 H new ATOM 0 HE2 TYR B 18 3.783 -8.066 -3.986 1.00 0.00 H new ATOM 0 HH TYR B 18 4.218 -7.354 -6.029 1.00 0.00 H new ATOM 846 N HIS B 19 -2.141 -6.076 0.400 1.00 0.00 N ATOM 847 CA HIS B 19 -3.258 -6.290 1.316 1.00 0.00 C ATOM 848 C HIS B 19 -4.339 -5.244 1.094 1.00 0.00 C ATOM 849 O HIS B 19 -5.510 -5.574 0.904 1.00 0.00 O ATOM 850 CB HIS B 19 -2.783 -6.225 2.774 1.00 0.00 C ATOM 851 CG HIS B 19 -3.882 -6.425 3.779 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.222 -7.653 4.297 1.00 0.00 N ATOM 853 CD2 HIS B 19 -4.730 -5.535 4.348 1.00 0.00 C ATOM 854 CE1 HIS B 19 -5.233 -7.511 5.134 1.00 0.00 C ATOM 855 NE2 HIS B 19 -5.561 -6.233 5.183 1.00 0.00 N ATOM 0 H HIS B 19 -1.234 -5.987 0.858 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.668 -7.280 1.117 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.017 -6.984 2.931 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.313 -5.257 2.951 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -4.747 -4.469 4.175 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -5.711 -8.307 5.686 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -6.309 -5.832 5.749 1.00 0.00 H new ATOM 864 N LEU B 20 -3.934 -3.985 1.114 1.00 0.00 N ATOM 865 CA LEU B 20 -4.878 -2.888 1.008 1.00 0.00 C ATOM 866 C LEU B 20 -5.507 -2.850 -0.378 1.00 0.00 C ATOM 867 O LEU B 20 -6.707 -2.620 -0.504 1.00 0.00 O ATOM 868 CB LEU B 20 -4.217 -1.542 1.319 1.00 0.00 C ATOM 869 CG LEU B 20 -3.829 -1.276 2.781 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.039 -1.379 3.687 1.00 0.00 C ATOM 871 CD2 LEU B 20 -2.734 -2.202 3.263 1.00 0.00 C ATOM 0 H LEU B 20 -2.959 -3.699 1.203 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.659 -3.061 1.748 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.317 -1.458 0.709 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.894 -0.750 0.999 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.439 -0.259 2.823 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -4.740 -1.187 4.717 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.785 -0.645 3.383 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -5.464 -2.380 3.614 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.496 -1.974 4.302 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -3.072 -3.236 3.187 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.845 -2.065 2.648 1.00 0.00 H new ATOM 883 N GLU B 21 -4.702 -3.092 -1.415 1.00 0.00 N ATOM 884 CA GLU B 21 -5.210 -3.102 -2.787 1.00 0.00 C ATOM 885 C GLU B 21 -6.361 -4.091 -2.931 1.00 0.00 C ATOM 886 O GLU B 21 -7.373 -3.795 -3.573 1.00 0.00 O ATOM 887 CB GLU B 21 -4.116 -3.477 -3.793 1.00 0.00 C ATOM 888 CG GLU B 21 -2.982 -2.471 -3.923 1.00 0.00 C ATOM 889 CD GLU B 21 -2.063 -2.805 -5.078 1.00 0.00 C ATOM 890 OE1 GLU B 21 -2.016 -2.020 -6.049 1.00 0.00 O ATOM 891 OE2 GLU B 21 -1.411 -3.869 -5.044 1.00 0.00 O ATOM 0 H GLU B 21 -3.703 -3.282 -1.331 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.559 -2.091 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.695 -4.440 -3.505 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.576 -3.611 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.396 -1.473 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.408 -2.449 -2.997 1.00 0.00 H new ATOM 898 N ASN B 22 -6.197 -5.262 -2.331 1.00 0.00 N ATOM 899 CA ASN B 22 -7.212 -6.306 -2.400 1.00 0.00 C ATOM 900 C ASN B 22 -8.501 -5.860 -1.723 1.00 0.00 C ATOM 901 O ASN B 22 -9.593 -6.047 -2.268 1.00 0.00 O ATOM 902 CB ASN B 22 -6.710 -7.598 -1.751 1.00 0.00 C ATOM 903 CG ASN B 22 -5.527 -8.215 -2.477 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.469 -8.059 -3.790 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 -4.671 -8.844 -1.856 1.00 0.00 N flip ATOM 0 H ASN B 22 -5.370 -5.514 -1.790 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.417 -6.496 -3.454 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.427 -7.392 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.525 -8.321 -1.719 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.746 -8.945 -0.844 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -3.886 -9.264 -2.353 1.00 0.00 H new ATOM 912 N GLU B 23 -8.374 -5.258 -0.544 1.00 0.00 N ATOM 913 CA GLU B 23 -9.542 -4.811 0.202 1.00 0.00 C ATOM 914 C GLU B 23 -10.216 -3.634 -0.493 1.00 0.00 C ATOM 915 O GLU B 23 -11.441 -3.582 -0.565 1.00 0.00 O ATOM 916 CB GLU B 23 -9.178 -4.448 1.644 1.00 0.00 C ATOM 917 CG GLU B 23 -8.601 -5.614 2.430 1.00 0.00 C ATOM 918 CD GLU B 23 -8.772 -5.454 3.926 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.804 -5.915 4.458 1.00 0.00 O ATOM 920 OE2 GLU B 23 -7.878 -4.877 4.579 1.00 0.00 O ATOM 0 H GLU B 23 -7.481 -5.070 -0.089 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.248 -5.641 0.233 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.455 -3.632 1.635 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -10.068 -4.080 2.154 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -9.085 -6.537 2.110 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.540 -5.713 2.199 1.00 0.00 H new ATOM 927 N VAL B 24 -9.416 -2.703 -1.021 1.00 0.00 N ATOM 928 CA VAL B 24 -9.956 -1.572 -1.774 1.00 0.00 C ATOM 929 C VAL B 24 -10.857 -2.073 -2.907 1.00 0.00 C ATOM 930 O VAL B 24 -12.002 -1.645 -3.044 1.00 0.00 O ATOM 931 CB VAL B 24 -8.842 -0.681 -2.377 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.421 0.325 -3.365 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.094 0.051 -1.280 1.00 0.00 C ATOM 0 H VAL B 24 -8.399 -2.711 -0.941 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.530 -0.970 -1.070 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.148 -1.331 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.617 0.938 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.920 -0.207 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.141 0.964 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.315 0.672 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.788 0.681 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.640 -0.673 -0.604 1.00 0.00 H new ATOM 943 N ALA B 25 -10.321 -2.997 -3.704 1.00 0.00 N ATOM 944 CA ALA B 25 -11.051 -3.568 -4.833 1.00 0.00 C ATOM 945 C ALA B 25 -12.335 -4.273 -4.392 1.00 0.00 C ATOM 946 O ALA B 25 -13.376 -4.136 -5.036 1.00 0.00 O ATOM 947 CB ALA B 25 -10.161 -4.532 -5.597 1.00 0.00 C ATOM 0 H ALA B 25 -9.378 -3.367 -3.586 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.339 -2.744 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.715 -4.952 -6.436 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.285 -4.001 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.843 -5.336 -4.934 1.00 0.00 H new ATOM 953 N ARG B 26 -12.254 -5.030 -3.303 1.00 0.00 N ATOM 954 CA ARG B 26 -13.411 -5.746 -2.780 1.00 0.00 C ATOM 955 C ARG B 26 -14.482 -4.768 -2.319 1.00 0.00 C ATOM 956 O ARG B 26 -15.634 -4.847 -2.745 1.00 0.00 O ATOM 957 CB ARG B 26 -12.999 -6.644 -1.615 1.00 0.00 C ATOM 958 CG ARG B 26 -14.152 -7.441 -1.025 1.00 0.00 C ATOM 959 CD ARG B 26 -13.723 -8.205 0.215 1.00 0.00 C ATOM 960 NE ARG B 26 -14.821 -8.982 0.784 1.00 0.00 N ATOM 961 CZ ARG B 26 -14.813 -9.496 2.013 1.00 0.00 C ATOM 962 NH1 ARG B 26 -13.771 -9.300 2.814 1.00 0.00 N ATOM 963 NH2 ARG B 26 -15.853 -10.194 2.445 1.00 0.00 N ATOM 0 H ARG B 26 -11.398 -5.163 -2.765 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.818 -6.364 -3.580 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.227 -7.334 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.555 -6.029 -0.832 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -14.971 -6.767 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.532 -8.139 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.899 -8.872 -0.037 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.349 -7.504 0.962 1.00 0.00 H new ATOM 0 HE ARG B 26 -15.645 -9.141 0.204 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.973 -8.754 2.489 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -13.769 -9.695 3.754 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -16.659 -10.338 1.837 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -15.848 -10.588 3.386 1.00 0.00 H new ATOM 977 N LEU B 27 -14.084 -3.837 -1.461 1.00 0.00 N ATOM 978 CA LEU B 27 -15.001 -2.846 -0.913 1.00 0.00 C ATOM 979 C LEU B 27 -15.608 -1.978 -2.014 1.00 0.00 C ATOM 980 O LEU B 27 -16.711 -1.457 -1.863 1.00 0.00 O ATOM 981 CB LEU B 27 -14.278 -1.965 0.110 1.00 0.00 C ATOM 982 CG LEU B 27 -13.698 -2.706 1.314 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.877 -1.762 2.172 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.804 -3.348 2.139 1.00 0.00 C ATOM 0 H LEU B 27 -13.124 -3.748 -1.128 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.813 -3.380 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.469 -1.438 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.975 -1.208 0.471 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.046 -3.497 0.945 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.471 -2.306 3.025 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.059 -1.352 1.581 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.511 -0.949 2.528 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.367 -3.870 2.990 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.485 -2.576 2.497 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.353 -4.059 1.521 1.00 0.00 H new ATOM 996 N LYS B 28 -14.898 -1.847 -3.131 1.00 0.00 N ATOM 997 CA LYS B 28 -15.361 -1.026 -4.237 1.00 0.00 C ATOM 998 C LYS B 28 -16.594 -1.661 -4.865 1.00 0.00 C ATOM 999 O LYS B 28 -17.601 -0.991 -5.101 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.255 -0.875 -5.287 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.157 0.518 -5.893 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.649 1.527 -4.876 1.00 0.00 C ATOM 1003 CE LYS B 28 -13.457 2.904 -5.490 1.00 0.00 C ATOM 1004 NZ LYS B 28 -14.745 3.511 -5.919 1.00 0.00 N ATOM 0 H LYS B 28 -13.999 -2.301 -3.291 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.619 -0.036 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.298 -1.129 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.427 -1.596 -6.086 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.488 0.497 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.136 0.828 -6.258 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.354 1.594 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.703 1.179 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.972 3.559 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.789 2.828 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.580 4.487 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.147 2.955 -6.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.410 3.516 -5.119 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.507 -2.963 -5.131 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.639 -3.721 -5.650 1.00 0.00 C ATOM 1020 C LYS B 29 -18.811 -3.693 -4.667 1.00 0.00 C ATOM 1021 O LYS B 29 -19.968 -3.695 -5.077 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.222 -5.175 -5.914 1.00 0.00 C ATOM 1023 CG LYS B 29 -15.998 -5.326 -6.811 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.540 -6.773 -6.891 1.00 0.00 C ATOM 1025 CE LYS B 29 -14.331 -6.928 -7.800 1.00 0.00 C ATOM 1026 NZ LYS B 29 -13.145 -6.194 -7.286 1.00 0.00 N ATOM 0 H LYS B 29 -15.660 -3.515 -4.994 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.958 -3.259 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.020 -5.661 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.059 -5.703 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.232 -4.962 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.187 -4.707 -6.428 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.293 -7.133 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.356 -7.394 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.087 -7.986 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.579 -6.563 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.866 -5.463 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.381 -5.746 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.357 -6.859 -7.149 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.499 -3.651 -3.374 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.522 -3.689 -2.331 1.00 0.00 C ATOM 1042 C LEU B 30 -20.283 -2.368 -2.236 1.00 0.00 C ATOM 1043 O LEU B 30 -21.508 -2.358 -2.134 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.896 -4.034 -0.980 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.169 -5.378 -0.923 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.655 -5.650 0.480 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.087 -6.500 -1.381 1.00 0.00 C ATOM 0 H LEU B 30 -17.543 -3.590 -3.022 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.236 -4.466 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.192 -3.246 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.680 -4.031 -0.223 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.314 -5.334 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.141 -6.611 0.499 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.962 -4.862 0.773 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.493 -5.673 1.176 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.553 -7.449 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.961 -6.543 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.406 -6.314 -2.407 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.559 -1.253 -2.236 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.195 0.062 -2.276 1.00 0.00 C ATOM 1061 C VAL B 31 -20.929 0.273 -3.607 1.00 0.00 C ATOM 1062 O VAL B 31 -21.938 0.979 -3.666 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.165 1.197 -2.072 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -19.851 2.555 -2.030 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.359 0.972 -0.803 1.00 0.00 C ATOM 0 H VAL B 31 -18.540 -1.232 -2.209 1.00 0.00 H new ATOM 0 HA VAL B 31 -20.915 0.095 -1.458 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.483 1.185 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.104 3.336 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -20.378 2.726 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -20.563 2.577 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.641 1.783 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.031 0.949 0.055 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -17.827 0.023 -0.873 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.426 -0.346 -4.672 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.085 -0.258 -5.956 1.00 0.00 C ATOM 1077 C GLY B 32 -22.380 -1.045 -5.985 1.00 0.00 C ATOM 1078 O GLY B 32 -23.461 -0.466 -5.863 1.00 0.00 O ATOM 0 H GLY B 32 -19.574 -0.906 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.291 0.787 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.417 -0.630 -6.733 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.257 -2.364 -6.123 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.403 -3.270 -6.183 1.00 0.00 C ATOM 1084 C GLU B 33 -24.429 -2.807 -7.210 1.00 0.00 C ATOM 1085 O GLU B 33 -24.173 -2.979 -8.418 1.00 0.00 O ATOM 1086 CB GLU B 33 -24.045 -3.409 -4.798 1.00 0.00 C ATOM 1087 CG GLU B 33 -23.225 -4.253 -3.836 1.00 0.00 C ATOM 1088 CD GLU B 33 -23.170 -5.710 -4.242 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -23.941 -6.513 -3.676 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -22.370 -6.060 -5.135 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.493 -2.287 -6.810 1.00 0.00 O ATOM 0 H GLU B 33 -21.356 -2.836 -6.197 1.00 0.00 H new ATOM 0 HA GLU B 33 -23.041 -4.248 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -24.186 -2.417 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -25.034 -3.853 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -22.211 -3.856 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -23.651 -4.174 -2.836 1.00 0.00 H new TER 1098 GLU B 33