USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 5 THR OG1 : rot -100:sc= -1.96 USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.0191 (180deg=-0.302) USER MOD Single : A 7 TYR OH : rot -30:sc= -0.213 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.21) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0729 USER MOD Single : A 29 TYR OH : rot 152:sc= 0.537 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= -1.18 (180deg=-1.35!) USER MOD Single : A 32 ASN : amide:sc= -0.0845 X(o=-0.085,f=-0.097) USER MOD Single : A 34 SER OG : rot 12:sc= 0.161 USER MOD Single : A 37 LYS NZ :NH3+ 150:sc= 0.00076 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0987 USER MOD Single : A 64 SER OG : rot 63:sc= 0.075 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.57) USER MOD Single : A 70 ASN : amide:sc= -0.447 K(o=-0.45,f=-1.5) USER MOD Single : A 74 LYS NZ :NH3+ 153:sc= -0.158 (180deg=-0.933) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.199 -0.726 -19.757 1.00 0.00 N ATOM 44 CA VAL A 4 -11.016 -0.499 -18.296 1.00 0.00 C ATOM 45 C VAL A 4 -10.475 0.912 -18.063 1.00 0.00 C ATOM 46 O VAL A 4 -10.426 1.726 -18.964 1.00 0.00 O ATOM 47 CB VAL A 4 -10.025 -1.524 -17.742 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.743 -2.855 -17.507 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.889 -1.728 -18.746 1.00 0.00 C ATOM 0 HA VAL A 4 -11.974 -0.608 -17.788 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.617 -1.161 -16.799 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.036 -3.585 -17.112 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.553 -2.710 -16.792 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.152 -3.219 -18.449 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.182 -2.458 -18.352 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.298 -2.091 -19.689 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.377 -0.781 -18.913 1.00 0.00 H new ATOM 59 N THR A 5 -10.066 1.210 -16.860 1.00 0.00 N ATOM 60 CA THR A 5 -9.528 2.569 -16.570 1.00 0.00 C ATOM 61 C THR A 5 -8.171 2.444 -15.874 1.00 0.00 C ATOM 62 O THR A 5 -7.958 1.565 -15.064 1.00 0.00 O ATOM 63 CB THR A 5 -10.502 3.320 -15.659 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.771 2.683 -15.699 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.641 4.766 -16.139 1.00 0.00 C ATOM 0 H THR A 5 -10.081 0.571 -16.065 1.00 0.00 H new ATOM 0 HA THR A 5 -9.407 3.118 -17.504 1.00 0.00 H new ATOM 0 HB THR A 5 -10.123 3.313 -14.637 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.366 3.176 -16.302 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.335 5.300 -15.490 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.667 5.255 -16.109 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.020 4.775 -17.161 1.00 0.00 H new ATOM 73 N LYS A 6 -7.252 3.317 -16.184 1.00 0.00 N ATOM 74 CA LYS A 6 -5.911 3.247 -15.538 1.00 0.00 C ATOM 75 C LYS A 6 -5.814 4.314 -14.447 1.00 0.00 C ATOM 76 O LYS A 6 -6.139 5.466 -14.661 1.00 0.00 O ATOM 77 CB LYS A 6 -4.826 3.491 -16.590 1.00 0.00 C ATOM 78 CG LYS A 6 -4.925 2.426 -17.684 1.00 0.00 C ATOM 79 CD LYS A 6 -4.441 3.012 -19.012 1.00 0.00 C ATOM 80 CE LYS A 6 -4.663 1.992 -20.131 1.00 0.00 C ATOM 81 NZ LYS A 6 -6.121 1.882 -20.420 1.00 0.00 N ATOM 0 H LYS A 6 -7.372 4.075 -16.856 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.772 2.261 -15.094 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.942 4.484 -17.024 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.841 3.459 -16.125 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.323 1.558 -17.417 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.955 2.082 -17.780 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.980 3.933 -19.233 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.384 3.269 -18.944 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.125 2.298 -21.029 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.265 1.021 -19.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.258 1.458 -21.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.573 1.282 -19.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.551 2.829 -20.402 1.00 0.00 H new ATOM 95 N TYR A 7 -5.368 3.943 -13.278 1.00 0.00 N ATOM 96 CA TYR A 7 -5.251 4.937 -12.175 1.00 0.00 C ATOM 97 C TYR A 7 -3.797 5.401 -12.059 1.00 0.00 C ATOM 98 O TYR A 7 -2.910 4.624 -11.762 1.00 0.00 O ATOM 99 CB TYR A 7 -5.687 4.292 -10.858 1.00 0.00 C ATOM 100 CG TYR A 7 -7.067 4.781 -10.490 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.069 4.848 -11.467 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.345 5.168 -9.174 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.349 5.302 -11.125 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.625 5.622 -8.834 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.627 5.689 -9.809 1.00 0.00 C ATOM 106 OH TYR A 7 -10.889 6.136 -9.474 1.00 0.00 O ATOM 0 H TYR A 7 -5.080 2.994 -13.040 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.890 5.794 -12.389 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.688 3.206 -10.955 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.979 4.540 -10.067 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.855 4.550 -12.483 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.572 5.116 -8.421 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.122 5.354 -11.877 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.839 5.921 -7.819 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.299 6.570 -10.251 1.00 0.00 H new ATOM 116 N PHE A 8 -3.545 6.660 -12.290 1.00 0.00 N ATOM 117 CA PHE A 8 -2.150 7.171 -12.193 1.00 0.00 C ATOM 118 C PHE A 8 -1.888 7.672 -10.771 1.00 0.00 C ATOM 119 O PHE A 8 -2.751 8.244 -10.136 1.00 0.00 O ATOM 120 CB PHE A 8 -1.958 8.322 -13.183 1.00 0.00 C ATOM 121 CG PHE A 8 -2.153 7.814 -14.591 1.00 0.00 C ATOM 122 CD1 PHE A 8 -3.428 7.432 -15.027 1.00 0.00 C ATOM 123 CD2 PHE A 8 -1.060 7.722 -15.460 1.00 0.00 C ATOM 124 CE1 PHE A 8 -3.609 6.960 -16.333 1.00 0.00 C ATOM 125 CE2 PHE A 8 -1.240 7.251 -16.766 1.00 0.00 C ATOM 126 CZ PHE A 8 -2.516 6.870 -17.203 1.00 0.00 C ATOM 0 H PHE A 8 -4.246 7.357 -12.542 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.452 6.368 -12.430 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.670 9.120 -12.971 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.960 8.747 -13.073 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.271 7.501 -14.356 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.077 8.015 -15.123 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.592 6.665 -16.669 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.396 7.181 -17.436 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.656 6.507 -18.211 1.00 0.00 H new ATOM 136 N TYR A 9 -0.703 7.462 -10.267 1.00 0.00 N ATOM 137 CA TYR A 9 -0.387 7.927 -8.887 1.00 0.00 C ATOM 138 C TYR A 9 0.957 8.657 -8.889 1.00 0.00 C ATOM 139 O TYR A 9 2.007 8.044 -8.921 1.00 0.00 O ATOM 140 CB TYR A 9 -0.312 6.722 -7.947 1.00 0.00 C ATOM 141 CG TYR A 9 0.033 7.191 -6.554 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.862 8.002 -5.847 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.248 6.814 -5.970 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.542 8.437 -4.555 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.569 7.249 -4.678 1.00 0.00 C ATOM 146 CZ TYR A 9 0.674 8.060 -3.971 1.00 0.00 C ATOM 147 OH TYR A 9 0.989 8.489 -2.697 1.00 0.00 O ATOM 0 H TYR A 9 0.060 6.989 -10.751 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.168 8.606 -8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.265 6.194 -7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.440 6.017 -8.302 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.799 8.292 -6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.938 6.188 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.232 9.063 -4.009 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.507 6.959 -4.228 1.00 0.00 H new ATOM 0 HH TYR A 9 1.867 8.137 -2.441 1.00 0.00 H new ATOM 157 N LYS A 10 0.935 9.960 -8.857 1.00 0.00 N ATOM 158 CA LYS A 10 2.213 10.727 -8.858 1.00 0.00 C ATOM 159 C LYS A 10 2.783 10.770 -7.439 1.00 0.00 C ATOM 160 O LYS A 10 2.446 11.627 -6.648 1.00 0.00 O ATOM 161 CB LYS A 10 1.951 12.155 -9.344 1.00 0.00 C ATOM 162 CG LYS A 10 3.056 12.575 -10.314 1.00 0.00 C ATOM 163 CD LYS A 10 3.028 14.094 -10.494 1.00 0.00 C ATOM 164 CE LYS A 10 3.092 14.434 -11.984 1.00 0.00 C ATOM 165 NZ LYS A 10 3.109 15.915 -12.155 1.00 0.00 N ATOM 0 H LYS A 10 0.088 10.528 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 10 2.927 10.241 -9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.980 12.210 -9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.918 12.839 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.028 12.261 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.917 12.082 -11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.119 14.506 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.869 14.548 -9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.985 13.995 -12.430 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.234 14.007 -12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.153 16.147 -13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.245 16.322 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.941 16.311 -11.673 1.00 0.00 H new ATOM 179 N GLY A 11 3.646 9.847 -7.109 1.00 0.00 N ATOM 180 CA GLY A 11 4.238 9.835 -5.741 1.00 0.00 C ATOM 181 C GLY A 11 5.336 10.895 -5.649 1.00 0.00 C ATOM 182 O GLY A 11 5.352 11.853 -6.396 1.00 0.00 O ATOM 0 H GLY A 11 3.966 9.102 -7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.465 10.031 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.650 8.850 -5.520 1.00 0.00 H new ATOM 186 N GLU A 12 6.256 10.731 -4.738 1.00 0.00 N ATOM 187 CA GLU A 12 7.353 11.731 -4.598 1.00 0.00 C ATOM 188 C GLU A 12 7.926 12.056 -5.978 1.00 0.00 C ATOM 189 O GLU A 12 7.545 13.021 -6.608 1.00 0.00 O ATOM 190 CB GLU A 12 8.457 11.154 -3.709 1.00 0.00 C ATOM 191 CG GLU A 12 7.950 11.046 -2.269 1.00 0.00 C ATOM 192 CD GLU A 12 8.633 9.868 -1.574 1.00 0.00 C ATOM 193 OE1 GLU A 12 9.842 9.916 -1.422 1.00 0.00 O ATOM 194 OE2 GLU A 12 7.936 8.937 -1.205 1.00 0.00 O ATOM 0 H GLU A 12 6.296 9.948 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 12 6.960 12.641 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.757 10.172 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.340 11.792 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.157 11.970 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.869 10.908 -2.262 1.00 0.00 H new ATOM 201 N ASN A 13 8.841 11.256 -6.454 1.00 0.00 N ATOM 202 CA ASN A 13 9.438 11.520 -7.793 1.00 0.00 C ATOM 203 C ASN A 13 9.156 10.336 -8.721 1.00 0.00 C ATOM 204 O ASN A 13 9.322 10.422 -9.921 1.00 0.00 O ATOM 205 CB ASN A 13 10.950 11.706 -7.650 1.00 0.00 C ATOM 206 CG ASN A 13 11.388 12.950 -8.426 1.00 0.00 C ATOM 207 OD1 ASN A 13 12.390 13.558 -8.106 1.00 0.00 O ATOM 208 ND2 ASN A 13 10.674 13.357 -9.439 1.00 0.00 N ATOM 0 H ASN A 13 9.200 10.431 -5.973 1.00 0.00 H new ATOM 0 HA ASN A 13 8.998 12.424 -8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.216 11.808 -6.598 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.472 10.827 -8.027 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.957 14.186 -9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.833 12.847 -9.708 1.00 0.00 H new ATOM 215 N THR A 14 8.729 9.230 -8.174 1.00 0.00 N ATOM 216 CA THR A 14 8.436 8.043 -9.025 1.00 0.00 C ATOM 217 C THR A 14 6.970 8.077 -9.461 1.00 0.00 C ATOM 218 O THR A 14 6.110 8.545 -8.742 1.00 0.00 O ATOM 219 CB THR A 14 8.703 6.765 -8.227 1.00 0.00 C ATOM 220 OG1 THR A 14 9.477 7.079 -7.077 1.00 0.00 O ATOM 221 CG2 THR A 14 9.464 5.765 -9.099 1.00 0.00 C ATOM 0 H THR A 14 8.571 9.098 -7.175 1.00 0.00 H new ATOM 0 HA THR A 14 9.077 8.061 -9.907 1.00 0.00 H new ATOM 0 HB THR A 14 7.755 6.325 -7.918 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.647 6.261 -6.564 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.653 4.855 -8.529 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.869 5.524 -9.980 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.413 6.202 -9.410 1.00 0.00 H new ATOM 229 N ASP A 15 6.679 7.582 -10.632 1.00 0.00 N ATOM 230 CA ASP A 15 5.267 7.585 -11.112 1.00 0.00 C ATOM 231 C ASP A 15 4.792 6.144 -11.306 1.00 0.00 C ATOM 232 O ASP A 15 5.302 5.417 -12.136 1.00 0.00 O ATOM 233 CB ASP A 15 5.184 8.333 -12.445 1.00 0.00 C ATOM 234 CG ASP A 15 3.746 8.799 -12.679 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.057 9.043 -11.702 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.358 8.905 -13.830 1.00 0.00 O ATOM 0 H ASP A 15 7.356 7.176 -11.277 1.00 0.00 H new ATOM 0 HA ASP A 15 4.633 8.081 -10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.858 9.189 -12.436 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.504 7.683 -13.259 1.00 0.00 H new ATOM 241 N LEU A 16 3.818 5.723 -10.546 1.00 0.00 N ATOM 242 CA LEU A 16 3.310 4.329 -10.687 1.00 0.00 C ATOM 243 C LEU A 16 1.919 4.354 -11.321 1.00 0.00 C ATOM 244 O LEU A 16 1.184 5.314 -11.192 1.00 0.00 O ATOM 245 CB LEU A 16 3.231 3.673 -9.307 1.00 0.00 C ATOM 246 CG LEU A 16 4.628 3.613 -8.688 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.514 3.663 -7.163 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.313 2.310 -9.104 1.00 0.00 C ATOM 0 H LEU A 16 3.352 6.284 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 16 3.987 3.758 -11.322 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.560 4.240 -8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.817 2.668 -9.394 1.00 0.00 H new ATOM 0 HG LEU A 16 5.216 4.462 -9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.510 3.620 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.025 4.590 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.926 2.814 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.309 2.266 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.724 1.462 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.395 2.273 -10.190 1.00 0.00 H new ATOM 260 N ILE A 17 1.550 3.307 -12.005 1.00 0.00 N ATOM 261 CA ILE A 17 0.206 3.271 -12.647 1.00 0.00 C ATOM 262 C ILE A 17 -0.419 1.889 -12.444 1.00 0.00 C ATOM 263 O ILE A 17 0.067 0.897 -12.949 1.00 0.00 O ATOM 264 CB ILE A 17 0.347 3.551 -14.145 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.236 4.780 -14.350 1.00 0.00 C ATOM 266 CG2 ILE A 17 -1.034 3.815 -14.747 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.447 5.012 -15.848 1.00 0.00 C ATOM 0 H ILE A 17 2.121 2.474 -12.147 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.433 4.030 -12.194 1.00 0.00 H new ATOM 0 HB ILE A 17 0.798 2.689 -14.636 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.773 5.657 -13.897 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.196 4.635 -13.855 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.934 4.014 -15.814 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.668 2.941 -14.599 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.485 4.678 -14.257 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.080 5.887 -15.995 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.928 4.138 -16.287 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.483 5.176 -16.330 1.00 0.00 H new ATOM 279 N VAL A 18 -1.493 1.816 -11.706 1.00 0.00 N ATOM 280 CA VAL A 18 -2.148 0.498 -11.471 1.00 0.00 C ATOM 281 C VAL A 18 -3.314 0.327 -12.446 1.00 0.00 C ATOM 282 O VAL A 18 -3.513 1.126 -13.338 1.00 0.00 O ATOM 283 CB VAL A 18 -2.669 0.437 -10.034 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.535 0.020 -9.096 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.189 1.817 -9.623 1.00 0.00 C ATOM 0 H VAL A 18 -1.945 2.612 -11.256 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.424 -0.301 -11.628 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.478 -0.291 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.907 -0.023 -8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.163 -0.962 -9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.726 0.748 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.561 1.776 -8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.380 2.544 -9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.997 2.115 -10.291 1.00 0.00 H new ATOM 295 N PHE A 19 -4.089 -0.711 -12.281 1.00 0.00 N ATOM 296 CA PHE A 19 -5.241 -0.933 -13.198 1.00 0.00 C ATOM 297 C PHE A 19 -6.542 -0.564 -12.481 1.00 0.00 C ATOM 298 O PHE A 19 -6.561 -0.338 -11.288 1.00 0.00 O ATOM 299 CB PHE A 19 -5.288 -2.406 -13.612 1.00 0.00 C ATOM 300 CG PHE A 19 -4.480 -2.600 -14.873 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.151 -2.163 -14.927 1.00 0.00 C ATOM 302 CD2 PHE A 19 -5.060 -3.219 -15.987 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.402 -2.344 -16.095 1.00 0.00 C ATOM 304 CE2 PHE A 19 -4.310 -3.399 -17.156 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.982 -2.962 -17.210 1.00 0.00 C ATOM 0 H PHE A 19 -3.973 -1.414 -11.551 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.124 -0.310 -14.085 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.891 -3.032 -12.813 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.320 -2.716 -13.777 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.704 -1.686 -14.067 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.085 -3.557 -15.945 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.377 -2.007 -16.137 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.757 -3.875 -18.016 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.404 -3.101 -18.112 1.00 0.00 H new ATOM 315 N ALA A 20 -7.629 -0.500 -13.200 1.00 0.00 N ATOM 316 CA ALA A 20 -8.926 -0.146 -12.558 1.00 0.00 C ATOM 317 C ALA A 20 -10.072 -0.425 -13.534 1.00 0.00 C ATOM 318 O ALA A 20 -9.912 -0.337 -14.736 1.00 0.00 O ATOM 319 CB ALA A 20 -8.923 1.338 -12.187 1.00 0.00 C ATOM 0 H ALA A 20 -7.675 -0.677 -14.203 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.061 -0.746 -11.658 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.872 1.598 -11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.107 1.538 -11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.788 1.938 -13.087 1.00 0.00 H new ATOM 325 N ALA A 21 -11.226 -0.760 -13.028 1.00 0.00 N ATOM 326 CA ALA A 21 -12.380 -1.044 -13.927 1.00 0.00 C ATOM 327 C ALA A 21 -13.048 0.272 -14.331 1.00 0.00 C ATOM 328 O ALA A 21 -13.134 0.604 -15.497 1.00 0.00 O ATOM 329 CB ALA A 21 -13.393 -1.925 -13.194 1.00 0.00 C ATOM 0 H ALA A 21 -11.420 -0.850 -12.031 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.026 -1.561 -14.819 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.237 -2.133 -13.851 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.918 -2.863 -12.906 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.747 -1.408 -12.302 1.00 0.00 H new ATOM 335 N SER A 22 -13.522 1.025 -13.376 1.00 0.00 N ATOM 336 CA SER A 22 -14.184 2.319 -13.706 1.00 0.00 C ATOM 337 C SER A 22 -14.106 3.254 -12.497 1.00 0.00 C ATOM 338 O SER A 22 -14.214 2.830 -11.364 1.00 0.00 O ATOM 339 CB SER A 22 -15.648 2.066 -14.061 1.00 0.00 C ATOM 340 OG SER A 22 -16.417 2.001 -12.868 1.00 0.00 O ATOM 0 H SER A 22 -13.479 0.800 -12.382 1.00 0.00 H new ATOM 0 HA SER A 22 -13.679 2.780 -14.555 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.021 2.863 -14.704 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.743 1.135 -14.619 1.00 0.00 H new ATOM 0 HG SER A 22 -17.357 1.840 -13.093 1.00 0.00 H new ATOM 346 N GLU A 23 -13.919 4.525 -12.729 1.00 0.00 N ATOM 347 CA GLU A 23 -13.836 5.485 -11.593 1.00 0.00 C ATOM 348 C GLU A 23 -15.070 5.332 -10.704 1.00 0.00 C ATOM 349 O GLU A 23 -15.004 5.490 -9.501 1.00 0.00 O ATOM 350 CB GLU A 23 -13.774 6.915 -12.138 1.00 0.00 C ATOM 351 CG GLU A 23 -15.175 7.364 -12.553 1.00 0.00 C ATOM 352 CD GLU A 23 -15.070 8.582 -13.472 1.00 0.00 C ATOM 353 OE1 GLU A 23 -14.426 9.542 -13.081 1.00 0.00 O ATOM 354 OE2 GLU A 23 -15.635 8.535 -14.553 1.00 0.00 O ATOM 0 H GLU A 23 -13.820 4.939 -13.656 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.940 5.279 -11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.375 7.588 -11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.098 6.961 -12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.692 6.552 -13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.765 7.611 -11.671 1.00 0.00 H new ATOM 361 N GLU A 24 -16.198 5.025 -11.285 1.00 0.00 N ATOM 362 CA GLU A 24 -17.435 4.863 -10.471 1.00 0.00 C ATOM 363 C GLU A 24 -17.186 3.838 -9.362 1.00 0.00 C ATOM 364 O GLU A 24 -17.226 4.156 -8.191 1.00 0.00 O ATOM 365 CB GLU A 24 -18.575 4.375 -11.369 1.00 0.00 C ATOM 366 CG GLU A 24 -19.628 3.664 -10.517 1.00 0.00 C ATOM 367 CD GLU A 24 -20.919 3.509 -11.323 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.048 4.184 -12.331 1.00 0.00 O ATOM 369 OE2 GLU A 24 -21.756 2.719 -10.919 1.00 0.00 O ATOM 0 H GLU A 24 -16.316 4.880 -12.288 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.706 5.821 -10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.025 5.218 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.188 3.696 -12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.260 2.686 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -19.821 4.234 -9.608 1.00 0.00 H new ATOM 376 N LEU A 25 -16.929 2.610 -9.722 1.00 0.00 N ATOM 377 CA LEU A 25 -16.677 1.568 -8.688 1.00 0.00 C ATOM 378 C LEU A 25 -15.734 2.124 -7.620 1.00 0.00 C ATOM 379 O LEU A 25 -16.058 2.165 -6.449 1.00 0.00 O ATOM 380 CB LEU A 25 -16.038 0.342 -9.344 1.00 0.00 C ATOM 381 CG LEU A 25 -17.133 -0.620 -9.807 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.576 -1.548 -10.888 1.00 0.00 C ATOM 383 CD2 LEU A 25 -17.611 -1.455 -8.616 1.00 0.00 C ATOM 0 H LEU A 25 -16.883 2.284 -10.687 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.621 1.282 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.426 0.648 -10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.376 -0.158 -8.637 1.00 0.00 H new ATOM 0 HG LEU A 25 -17.969 -0.051 -10.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.357 -2.233 -11.217 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.233 -0.955 -11.736 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.740 -2.118 -10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.392 -2.142 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.774 -2.024 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.008 -0.795 -7.845 1.00 0.00 H new ATOM 395 N VAL A 26 -14.566 2.554 -8.013 1.00 0.00 N ATOM 396 CA VAL A 26 -13.602 3.108 -7.021 1.00 0.00 C ATOM 397 C VAL A 26 -14.353 3.970 -6.004 1.00 0.00 C ATOM 398 O VAL A 26 -14.138 3.871 -4.813 1.00 0.00 O ATOM 399 CB VAL A 26 -12.560 3.963 -7.744 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.596 4.567 -6.722 1.00 0.00 C ATOM 401 CG2 VAL A 26 -11.778 3.089 -8.728 1.00 0.00 C ATOM 0 H VAL A 26 -14.238 2.545 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.103 2.288 -6.504 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.061 4.764 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.854 5.176 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.152 5.189 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.094 3.767 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.035 3.697 -9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.277 2.288 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.464 2.659 -9.457 1.00 0.00 H new ATOM 411 N ASP A 27 -15.231 4.818 -6.466 1.00 0.00 N ATOM 412 CA ASP A 27 -15.994 5.686 -5.524 1.00 0.00 C ATOM 413 C ASP A 27 -16.807 4.812 -4.567 1.00 0.00 C ATOM 414 O ASP A 27 -16.967 5.131 -3.406 1.00 0.00 O ATOM 415 CB ASP A 27 -16.941 6.589 -6.318 1.00 0.00 C ATOM 416 CG ASP A 27 -17.108 7.922 -5.586 1.00 0.00 C ATOM 417 OD1 ASP A 27 -17.844 7.952 -4.612 1.00 0.00 O ATOM 418 OD2 ASP A 27 -16.499 8.890 -6.010 1.00 0.00 O ATOM 0 H ASP A 27 -15.453 4.947 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.298 6.300 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.545 6.759 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.910 6.103 -6.437 1.00 0.00 H new ATOM 423 N GLU A 28 -17.320 3.712 -5.043 1.00 0.00 N ATOM 424 CA GLU A 28 -18.120 2.819 -4.159 1.00 0.00 C ATOM 425 C GLU A 28 -17.210 2.202 -3.096 1.00 0.00 C ATOM 426 O GLU A 28 -17.657 1.791 -2.043 1.00 0.00 O ATOM 427 CB GLU A 28 -18.754 1.705 -4.996 1.00 0.00 C ATOM 428 CG GLU A 28 -20.211 2.058 -5.297 1.00 0.00 C ATOM 429 CD GLU A 28 -20.621 1.441 -6.635 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.117 0.376 -6.953 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.431 2.044 -7.320 1.00 0.00 O ATOM 0 H GLU A 28 -17.220 3.393 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.904 3.400 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.201 1.575 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.702 0.758 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.857 1.688 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.334 3.140 -5.331 1.00 0.00 H new ATOM 438 N TYR A 29 -15.934 2.133 -3.362 1.00 0.00 N ATOM 439 CA TYR A 29 -14.996 1.542 -2.367 1.00 0.00 C ATOM 440 C TYR A 29 -14.576 2.615 -1.360 1.00 0.00 C ATOM 441 O TYR A 29 -14.269 2.324 -0.220 1.00 0.00 O ATOM 442 CB TYR A 29 -13.757 1.008 -3.089 1.00 0.00 C ATOM 443 CG TYR A 29 -12.861 0.306 -2.098 1.00 0.00 C ATOM 444 CD1 TYR A 29 -13.216 -0.954 -1.601 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.672 0.914 -1.676 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.385 -1.605 -0.682 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.840 0.264 -0.757 1.00 0.00 C ATOM 448 CZ TYR A 29 -11.197 -0.995 -0.260 1.00 0.00 C ATOM 449 OH TYR A 29 -10.377 -1.637 0.646 1.00 0.00 O ATOM 0 H TYR A 29 -15.501 2.460 -4.226 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.492 0.725 -1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.053 0.319 -3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.219 1.828 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -14.132 -1.424 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.397 1.885 -2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.660 -2.577 -0.299 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.923 0.733 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.450 -1.351 0.508 1.00 0.00 H new ATOM 459 N LEU A 30 -14.560 3.853 -1.770 1.00 0.00 N ATOM 460 CA LEU A 30 -14.159 4.943 -0.837 1.00 0.00 C ATOM 461 C LEU A 30 -15.138 4.996 0.339 1.00 0.00 C ATOM 462 O LEU A 30 -14.751 5.189 1.473 1.00 0.00 O ATOM 463 CB LEU A 30 -14.179 6.282 -1.577 1.00 0.00 C ATOM 464 CG LEU A 30 -12.831 6.505 -2.266 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.941 7.681 -3.237 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.766 6.814 -1.211 1.00 0.00 C ATOM 0 H LEU A 30 -14.807 4.157 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.153 4.749 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.982 6.290 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.380 7.093 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.551 5.606 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.980 7.839 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.700 7.463 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.221 8.581 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.805 6.973 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.047 7.713 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.686 5.976 -0.518 1.00 0.00 H new ATOM 478 N LYS A 31 -16.405 4.827 0.075 1.00 0.00 N ATOM 479 CA LYS A 31 -17.407 4.870 1.177 1.00 0.00 C ATOM 480 C LYS A 31 -17.324 3.579 1.996 1.00 0.00 C ATOM 481 O LYS A 31 -17.548 3.575 3.190 1.00 0.00 O ATOM 482 CB LYS A 31 -18.811 5.007 0.585 1.00 0.00 C ATOM 483 CG LYS A 31 -19.759 5.578 1.642 1.00 0.00 C ATOM 484 CD LYS A 31 -21.117 5.874 1.004 1.00 0.00 C ATOM 485 CE LYS A 31 -22.003 6.614 2.008 1.00 0.00 C ATOM 486 NZ LYS A 31 -21.368 6.574 3.356 1.00 0.00 N ATOM 0 H LYS A 31 -16.789 4.661 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.199 5.723 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.787 5.660 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.170 4.035 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.877 4.868 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.339 6.489 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.985 6.477 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.596 4.945 0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.145 7.647 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.991 6.154 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.009 7.002 4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.177 5.587 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.474 7.105 3.335 1.00 0.00 H new ATOM 500 N ASN A 32 -17.003 2.484 1.364 1.00 0.00 N ATOM 501 CA ASN A 32 -16.907 1.196 2.107 1.00 0.00 C ATOM 502 C ASN A 32 -15.525 0.578 1.885 1.00 0.00 C ATOM 503 O ASN A 32 -15.377 -0.390 1.164 1.00 0.00 O ATOM 504 CB ASN A 32 -17.984 0.234 1.601 1.00 0.00 C ATOM 505 CG ASN A 32 -18.009 -1.015 2.484 1.00 0.00 C ATOM 506 OD1 ASN A 32 -18.707 -1.057 3.477 1.00 0.00 O ATOM 507 ND2 ASN A 32 -17.271 -2.043 2.161 1.00 0.00 N ATOM 0 H ASN A 32 -16.803 2.425 0.366 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.054 1.380 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.958 0.722 1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.782 -0.043 0.566 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.281 -2.881 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.685 -2.008 1.327 1.00 0.00 H new ATOM 514 N PRO A 33 -14.521 1.140 2.502 1.00 0.00 N ATOM 515 CA PRO A 33 -13.120 0.646 2.379 1.00 0.00 C ATOM 516 C PRO A 33 -12.880 -0.628 3.193 1.00 0.00 C ATOM 517 O PRO A 33 -12.939 -0.621 4.408 1.00 0.00 O ATOM 518 CB PRO A 33 -12.282 1.800 2.931 1.00 0.00 C ATOM 519 CG PRO A 33 -13.180 2.524 3.879 1.00 0.00 C ATOM 520 CD PRO A 33 -14.614 2.311 3.387 1.00 0.00 C ATOM 0 HA PRO A 33 -12.872 0.379 1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.391 1.431 3.438 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.944 2.458 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.059 2.142 4.893 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.936 3.586 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.297 2.130 4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.986 3.185 2.853 1.00 0.00 H new ATOM 528 N SER A 34 -12.610 -1.723 2.536 1.00 0.00 N ATOM 529 CA SER A 34 -12.367 -2.994 3.274 1.00 0.00 C ATOM 530 C SER A 34 -11.292 -3.807 2.549 1.00 0.00 C ATOM 531 O SER A 34 -10.140 -3.423 2.497 1.00 0.00 O ATOM 532 CB SER A 34 -13.663 -3.803 3.334 1.00 0.00 C ATOM 533 OG SER A 34 -14.504 -3.267 4.349 1.00 0.00 O ATOM 0 H SER A 34 -12.547 -1.792 1.520 1.00 0.00 H new ATOM 0 HA SER A 34 -12.031 -2.769 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.171 -3.771 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.443 -4.850 3.543 1.00 0.00 H new ATOM 0 HG SER A 34 -14.150 -2.402 4.645 1.00 0.00 H new ATOM 539 N ILE A 35 -11.659 -4.927 1.990 1.00 0.00 N ATOM 540 CA ILE A 35 -10.657 -5.764 1.270 1.00 0.00 C ATOM 541 C ILE A 35 -11.381 -6.759 0.362 1.00 0.00 C ATOM 542 O ILE A 35 -10.787 -7.366 -0.507 1.00 0.00 O ATOM 543 CB ILE A 35 -9.805 -6.527 2.286 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.803 -7.414 1.546 1.00 0.00 C ATOM 545 CG2 ILE A 35 -10.710 -7.399 3.159 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.426 -7.287 2.200 1.00 0.00 C ATOM 0 H ILE A 35 -12.609 -5.299 2.000 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.015 -5.123 0.666 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.268 -5.817 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.134 -8.452 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.747 -7.121 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.103 -7.943 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.425 -6.767 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.248 -8.109 2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.713 -7.920 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.095 -6.249 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.488 -7.601 3.242 1.00 0.00 H new ATOM 558 N GLY A 36 -12.659 -6.930 0.555 1.00 0.00 N ATOM 559 CA GLY A 36 -13.420 -7.887 -0.299 1.00 0.00 C ATOM 560 C GLY A 36 -13.774 -7.216 -1.628 1.00 0.00 C ATOM 561 O GLY A 36 -13.505 -7.741 -2.690 1.00 0.00 O ATOM 0 H GLY A 36 -13.210 -6.449 1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.825 -8.783 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.328 -8.205 0.213 1.00 0.00 H new ATOM 565 N LYS A 37 -14.377 -6.060 -1.578 1.00 0.00 N ATOM 566 CA LYS A 37 -14.748 -5.358 -2.839 1.00 0.00 C ATOM 567 C LYS A 37 -13.477 -4.961 -3.594 1.00 0.00 C ATOM 568 O LYS A 37 -13.529 -4.511 -4.720 1.00 0.00 O ATOM 569 CB LYS A 37 -15.556 -4.103 -2.505 1.00 0.00 C ATOM 570 CG LYS A 37 -15.904 -3.360 -3.796 1.00 0.00 C ATOM 571 CD LYS A 37 -17.209 -2.584 -3.604 1.00 0.00 C ATOM 572 CE LYS A 37 -17.701 -2.071 -4.957 1.00 0.00 C ATOM 573 NZ LYS A 37 -19.169 -2.305 -5.072 1.00 0.00 N ATOM 0 H LYS A 37 -14.629 -5.571 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.348 -6.021 -3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.468 -4.376 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.983 -3.454 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.098 -2.676 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.007 -4.068 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.963 -3.227 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.051 -1.749 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.482 -1.008 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.176 -2.581 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.592 -1.570 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.339 -3.240 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.601 -2.268 -4.127 1.00 0.00 H new ATOM 587 N LEU A 38 -12.336 -5.124 -2.982 1.00 0.00 N ATOM 588 CA LEU A 38 -11.065 -4.756 -3.665 1.00 0.00 C ATOM 589 C LEU A 38 -10.854 -5.667 -4.876 1.00 0.00 C ATOM 590 O LEU A 38 -10.667 -5.208 -5.985 1.00 0.00 O ATOM 591 CB LEU A 38 -9.896 -4.922 -2.691 1.00 0.00 C ATOM 592 CG LEU A 38 -8.813 -3.892 -3.013 1.00 0.00 C ATOM 593 CD1 LEU A 38 -9.296 -2.498 -2.609 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.539 -4.234 -2.237 1.00 0.00 C ATOM 0 H LEU A 38 -12.230 -5.496 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.117 -3.719 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.242 -4.793 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.488 -5.930 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.604 -3.907 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.523 -1.764 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.204 -2.254 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.505 -2.481 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.766 -3.500 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.749 -4.218 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.193 -5.227 -2.524 1.00 0.00 H new ATOM 606 N SER A 39 -10.882 -6.956 -4.672 1.00 0.00 N ATOM 607 CA SER A 39 -10.684 -7.895 -5.811 1.00 0.00 C ATOM 608 C SER A 39 -11.590 -7.486 -6.974 1.00 0.00 C ATOM 609 O SER A 39 -11.364 -7.854 -8.110 1.00 0.00 O ATOM 610 CB SER A 39 -11.033 -9.316 -5.368 1.00 0.00 C ATOM 611 OG SER A 39 -12.445 -9.480 -5.388 1.00 0.00 O ATOM 0 H SER A 39 -11.033 -7.399 -3.766 1.00 0.00 H new ATOM 0 HA SER A 39 -9.643 -7.860 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.561 -10.042 -6.030 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.648 -9.502 -4.365 1.00 0.00 H new ATOM 0 HG SER A 39 -12.673 -10.391 -5.106 1.00 0.00 H new ATOM 617 N GLU A 40 -12.616 -6.728 -6.701 1.00 0.00 N ATOM 618 CA GLU A 40 -13.536 -6.296 -7.791 1.00 0.00 C ATOM 619 C GLU A 40 -12.964 -5.056 -8.480 1.00 0.00 C ATOM 620 O GLU A 40 -12.962 -4.953 -9.691 1.00 0.00 O ATOM 621 CB GLU A 40 -14.908 -5.965 -7.199 1.00 0.00 C ATOM 622 CG GLU A 40 -15.385 -7.131 -6.331 1.00 0.00 C ATOM 623 CD GLU A 40 -16.118 -8.152 -7.203 1.00 0.00 C ATOM 624 OE1 GLU A 40 -15.775 -8.260 -8.369 1.00 0.00 O ATOM 625 OE2 GLU A 40 -17.009 -8.809 -6.690 1.00 0.00 O ATOM 0 H GLU A 40 -12.857 -6.389 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.639 -7.100 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.848 -5.055 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.625 -5.776 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.535 -7.602 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.047 -6.766 -5.546 1.00 0.00 H new ATOM 632 N VAL A 41 -12.479 -4.113 -7.719 1.00 0.00 N ATOM 633 CA VAL A 41 -11.907 -2.882 -8.332 1.00 0.00 C ATOM 634 C VAL A 41 -10.638 -3.240 -9.108 1.00 0.00 C ATOM 635 O VAL A 41 -10.614 -3.216 -10.323 1.00 0.00 O ATOM 636 CB VAL A 41 -11.565 -1.876 -7.232 1.00 0.00 C ATOM 637 CG1 VAL A 41 -10.961 -0.618 -7.860 1.00 0.00 C ATOM 638 CG2 VAL A 41 -12.838 -1.503 -6.469 1.00 0.00 C ATOM 0 H VAL A 41 -12.454 -4.142 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.637 -2.443 -9.012 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.845 -2.320 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.717 0.099 -7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.055 -0.882 -8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.680 -0.173 -8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.595 -0.786 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.557 -1.059 -7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.269 -2.398 -6.021 1.00 0.00 H new ATOM 648 N VAL A 42 -9.583 -3.574 -8.417 1.00 0.00 N ATOM 649 CA VAL A 42 -8.318 -3.933 -9.115 1.00 0.00 C ATOM 650 C VAL A 42 -8.507 -5.255 -9.863 1.00 0.00 C ATOM 651 O VAL A 42 -8.969 -6.232 -9.308 1.00 0.00 O ATOM 652 CB VAL A 42 -7.193 -4.084 -8.089 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.840 -3.932 -8.786 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.337 -3.002 -7.016 1.00 0.00 C ATOM 0 H VAL A 42 -9.543 -3.614 -7.399 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.059 -3.147 -9.824 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.253 -5.069 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.040 -4.040 -8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.737 -4.700 -9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.778 -2.947 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.537 -3.107 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.276 -2.018 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.301 -3.109 -6.518 1.00 0.00 H new ATOM 664 N GLU A 43 -8.153 -5.293 -11.118 1.00 0.00 N ATOM 665 CA GLU A 43 -8.314 -6.551 -11.900 1.00 0.00 C ATOM 666 C GLU A 43 -7.043 -7.395 -11.776 1.00 0.00 C ATOM 667 O GLU A 43 -7.095 -8.607 -11.715 1.00 0.00 O ATOM 668 CB GLU A 43 -8.559 -6.211 -13.372 1.00 0.00 C ATOM 669 CG GLU A 43 -9.762 -7.003 -13.886 1.00 0.00 C ATOM 670 CD GLU A 43 -11.051 -6.388 -13.336 1.00 0.00 C ATOM 671 OE1 GLU A 43 -10.954 -5.431 -12.586 1.00 0.00 O ATOM 672 OE2 GLU A 43 -12.112 -6.885 -13.675 1.00 0.00 O ATOM 0 H GLU A 43 -7.759 -4.507 -11.636 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.163 -7.113 -11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.739 -5.142 -13.484 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.675 -6.449 -13.963 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.778 -6.994 -14.976 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.683 -8.045 -13.577 1.00 0.00 H new ATOM 679 N LEU A 44 -5.902 -6.764 -11.737 1.00 0.00 N ATOM 680 CA LEU A 44 -4.630 -7.531 -11.618 1.00 0.00 C ATOM 681 C LEU A 44 -3.853 -7.044 -10.393 1.00 0.00 C ATOM 682 O LEU A 44 -3.376 -5.928 -10.352 1.00 0.00 O ATOM 683 CB LEU A 44 -3.786 -7.317 -12.875 1.00 0.00 C ATOM 684 CG LEU A 44 -4.692 -7.326 -14.107 1.00 0.00 C ATOM 685 CD1 LEU A 44 -4.974 -5.888 -14.545 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.997 -8.077 -15.245 1.00 0.00 C ATOM 0 H LEU A 44 -5.795 -5.751 -11.782 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.855 -8.592 -11.507 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.252 -6.369 -12.810 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.034 -8.101 -12.958 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.631 -7.822 -13.863 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.620 -5.895 -15.423 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.468 -5.351 -13.735 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.035 -5.391 -14.789 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.642 -8.084 -16.124 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.058 -7.580 -15.488 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.796 -9.102 -14.935 1.00 0.00 H new ATOM 698 N PHE A 45 -3.722 -7.874 -9.394 1.00 0.00 N ATOM 699 CA PHE A 45 -2.977 -7.458 -8.173 1.00 0.00 C ATOM 700 C PHE A 45 -1.505 -7.234 -8.526 1.00 0.00 C ATOM 701 O PHE A 45 -0.665 -8.081 -8.295 1.00 0.00 O ATOM 702 CB PHE A 45 -3.084 -8.554 -7.110 1.00 0.00 C ATOM 703 CG PHE A 45 -4.338 -8.343 -6.296 1.00 0.00 C ATOM 704 CD1 PHE A 45 -5.460 -7.743 -6.879 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.379 -8.750 -4.957 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.623 -7.549 -6.124 1.00 0.00 C ATOM 707 CE2 PHE A 45 -5.542 -8.555 -4.202 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.664 -7.955 -4.784 1.00 0.00 C ATOM 0 H PHE A 45 -4.099 -8.822 -9.371 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.404 -6.533 -7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.106 -9.535 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.208 -8.533 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.429 -7.429 -7.912 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.514 -9.214 -4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.489 -7.086 -6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.573 -8.868 -3.169 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.561 -7.805 -4.201 1.00 0.00 H new ATOM 718 N GLU A 46 -1.185 -6.099 -9.086 1.00 0.00 N ATOM 719 CA GLU A 46 0.232 -5.823 -9.453 1.00 0.00 C ATOM 720 C GLU A 46 0.402 -4.330 -9.743 1.00 0.00 C ATOM 721 O GLU A 46 -0.545 -3.639 -10.063 1.00 0.00 O ATOM 722 CB GLU A 46 0.603 -6.630 -10.698 1.00 0.00 C ATOM 723 CG GLU A 46 2.100 -6.948 -10.675 1.00 0.00 C ATOM 724 CD GLU A 46 2.356 -8.130 -9.738 1.00 0.00 C ATOM 725 OE1 GLU A 46 1.763 -9.173 -9.957 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.140 -7.971 -8.818 1.00 0.00 O ATOM 0 H GLU A 46 -1.844 -5.352 -9.305 1.00 0.00 H new ATOM 0 HA GLU A 46 0.884 -6.109 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.025 -7.554 -10.731 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.354 -6.066 -11.597 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.448 -7.185 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.663 -6.076 -10.340 1.00 0.00 H new ATOM 733 N VAL A 47 1.601 -3.827 -9.634 1.00 0.00 N ATOM 734 CA VAL A 47 1.828 -2.380 -9.904 1.00 0.00 C ATOM 735 C VAL A 47 2.684 -2.223 -11.163 1.00 0.00 C ATOM 736 O VAL A 47 3.724 -2.835 -11.299 1.00 0.00 O ATOM 737 CB VAL A 47 2.553 -1.747 -8.714 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.562 -0.225 -8.872 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.827 -2.120 -7.420 1.00 0.00 C ATOM 0 H VAL A 47 2.432 -4.355 -9.370 1.00 0.00 H new ATOM 0 HA VAL A 47 0.869 -1.884 -10.052 1.00 0.00 H new ATOM 0 HB VAL A 47 3.579 -2.114 -8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.078 0.226 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.077 0.042 -9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.537 0.143 -8.910 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.342 -1.670 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.802 -1.752 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.819 -3.204 -7.307 1.00 0.00 H new ATOM 749 N PHE A 48 2.254 -1.405 -12.085 1.00 0.00 N ATOM 750 CA PHE A 48 3.042 -1.209 -13.334 1.00 0.00 C ATOM 751 C PHE A 48 3.609 0.212 -13.360 1.00 0.00 C ATOM 752 O PHE A 48 3.129 1.094 -12.676 1.00 0.00 O ATOM 753 CB PHE A 48 2.136 -1.420 -14.548 1.00 0.00 C ATOM 754 CG PHE A 48 1.438 -2.754 -14.431 1.00 0.00 C ATOM 755 CD1 PHE A 48 2.115 -3.930 -14.773 1.00 0.00 C ATOM 756 CD2 PHE A 48 0.114 -2.814 -13.980 1.00 0.00 C ATOM 757 CE1 PHE A 48 1.469 -5.167 -14.665 1.00 0.00 C ATOM 758 CE2 PHE A 48 -0.532 -4.052 -13.871 1.00 0.00 C ATOM 759 CZ PHE A 48 0.145 -5.227 -14.214 1.00 0.00 C ATOM 0 H PHE A 48 1.391 -0.864 -12.027 1.00 0.00 H new ATOM 0 HA PHE A 48 3.861 -1.928 -13.364 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.401 -0.617 -14.610 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.725 -1.385 -15.465 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.137 -3.883 -15.120 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.409 -1.906 -13.716 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.992 -6.074 -14.929 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.553 -4.099 -13.522 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.354 -6.181 -14.131 1.00 0.00 H new ATOM 769 N THR A 49 4.626 0.441 -14.145 1.00 0.00 N ATOM 770 CA THR A 49 5.220 1.807 -14.212 1.00 0.00 C ATOM 771 C THR A 49 5.508 2.166 -15.671 1.00 0.00 C ATOM 772 O THR A 49 5.453 1.327 -16.548 1.00 0.00 O ATOM 773 CB THR A 49 6.525 1.834 -13.413 1.00 0.00 C ATOM 774 OG1 THR A 49 7.620 2.004 -14.302 1.00 0.00 O ATOM 775 CG2 THR A 49 6.686 0.520 -12.648 1.00 0.00 C ATOM 0 H THR A 49 5.071 -0.257 -14.742 1.00 0.00 H new ATOM 0 HA THR A 49 4.521 2.529 -13.791 1.00 0.00 H new ATOM 0 HB THR A 49 6.499 2.662 -12.705 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.456 2.023 -13.791 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.616 0.541 -12.080 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.846 0.391 -11.965 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.711 -0.311 -13.353 1.00 0.00 H new ATOM 783 N PRO A 50 5.815 3.409 -15.923 1.00 0.00 N ATOM 784 CA PRO A 50 6.121 3.904 -17.296 1.00 0.00 C ATOM 785 C PRO A 50 7.101 2.989 -18.037 1.00 0.00 C ATOM 786 O PRO A 50 7.801 2.198 -17.436 1.00 0.00 O ATOM 787 CB PRO A 50 6.747 5.277 -17.055 1.00 0.00 C ATOM 788 CG PRO A 50 6.205 5.738 -15.743 1.00 0.00 C ATOM 789 CD PRO A 50 5.904 4.482 -14.921 1.00 0.00 C ATOM 0 HA PRO A 50 5.230 3.936 -17.923 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.835 5.213 -17.030 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.487 5.972 -17.853 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.927 6.373 -15.228 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.302 6.332 -15.885 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.691 4.284 -14.194 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.973 4.584 -14.363 1.00 0.00 H new ATOM 911 N LEU A 60 4.609 -2.871 -21.006 1.00 0.00 N ATOM 912 CA LEU A 60 5.012 -1.909 -19.942 1.00 0.00 C ATOM 913 C LEU A 60 6.056 -2.561 -19.032 1.00 0.00 C ATOM 914 O LEU A 60 6.583 -3.614 -19.332 1.00 0.00 O ATOM 915 CB LEU A 60 3.786 -1.521 -19.113 1.00 0.00 C ATOM 916 CG LEU A 60 2.752 -0.847 -20.016 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.408 -0.777 -19.289 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.221 0.569 -20.357 1.00 0.00 C ATOM 0 HA LEU A 60 5.437 -1.017 -20.402 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.355 -2.406 -18.646 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.077 -0.846 -18.308 1.00 0.00 H new ATOM 0 HG LEU A 60 2.639 -1.424 -20.934 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.671 -0.297 -19.932 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.074 -1.785 -19.044 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.520 -0.199 -18.372 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.485 1.051 -21.001 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.333 1.146 -19.439 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.179 0.520 -20.875 1.00 0.00 H new ATOM 930 N GLY A 61 6.360 -1.943 -17.923 1.00 0.00 N ATOM 931 CA GLY A 61 7.369 -2.529 -16.996 1.00 0.00 C ATOM 932 C GLY A 61 6.712 -2.828 -15.648 1.00 0.00 C ATOM 933 O GLY A 61 5.541 -2.574 -15.447 1.00 0.00 O ATOM 0 H GLY A 61 5.953 -1.058 -17.619 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.782 -3.444 -17.422 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.200 -1.837 -16.862 1.00 0.00 H new ATOM 937 N ALA A 62 7.455 -3.367 -14.722 1.00 0.00 N ATOM 938 CA ALA A 62 6.872 -3.683 -13.387 1.00 0.00 C ATOM 939 C ALA A 62 7.701 -3.003 -12.295 1.00 0.00 C ATOM 940 O ALA A 62 8.895 -2.821 -12.431 1.00 0.00 O ATOM 941 CB ALA A 62 6.885 -5.197 -13.169 1.00 0.00 C ATOM 0 H ALA A 62 8.441 -3.603 -14.831 1.00 0.00 H new ATOM 0 HA ALA A 62 5.845 -3.319 -13.344 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.459 -5.428 -12.193 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.295 -5.682 -13.947 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.911 -5.562 -13.212 1.00 0.00 H new ATOM 947 N ALA A 63 7.078 -2.627 -11.211 1.00 0.00 N ATOM 948 CA ALA A 63 7.830 -1.961 -10.112 1.00 0.00 C ATOM 949 C ALA A 63 8.338 -3.018 -9.127 1.00 0.00 C ATOM 950 O ALA A 63 7.736 -4.060 -8.957 1.00 0.00 O ATOM 951 CB ALA A 63 6.908 -0.982 -9.383 1.00 0.00 C ATOM 0 H ALA A 63 6.080 -2.753 -11.040 1.00 0.00 H new ATOM 0 HA ALA A 63 8.678 -1.418 -10.529 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.458 -0.494 -8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.549 -0.229 -10.085 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.059 -1.524 -8.966 1.00 0.00 H new ATOM 957 N SER A 64 9.440 -2.758 -8.480 1.00 0.00 N ATOM 958 CA SER A 64 9.984 -3.749 -7.508 1.00 0.00 C ATOM 959 C SER A 64 9.580 -3.344 -6.088 1.00 0.00 C ATOM 960 O SER A 64 8.999 -2.300 -5.872 1.00 0.00 O ATOM 961 CB SER A 64 11.509 -3.782 -7.614 1.00 0.00 C ATOM 962 OG SER A 64 11.964 -2.581 -8.221 1.00 0.00 O ATOM 0 H SER A 64 9.987 -1.903 -8.582 1.00 0.00 H new ATOM 0 HA SER A 64 9.583 -4.737 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.951 -3.893 -6.624 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.825 -4.643 -8.203 1.00 0.00 H new ATOM 0 HG SER A 64 11.730 -1.818 -7.652 1.00 0.00 H new ATOM 968 N LYS A 65 9.884 -4.165 -5.119 1.00 0.00 N ATOM 969 CA LYS A 65 9.518 -3.827 -3.715 1.00 0.00 C ATOM 970 C LYS A 65 10.390 -2.670 -3.224 1.00 0.00 C ATOM 971 O LYS A 65 9.970 -1.860 -2.422 1.00 0.00 O ATOM 972 CB LYS A 65 9.741 -5.049 -2.822 1.00 0.00 C ATOM 973 CG LYS A 65 8.498 -5.940 -2.856 1.00 0.00 C ATOM 974 CD LYS A 65 7.672 -5.714 -1.588 1.00 0.00 C ATOM 975 CE LYS A 65 6.367 -6.507 -1.680 1.00 0.00 C ATOM 976 NZ LYS A 65 6.600 -7.903 -1.217 1.00 0.00 N ATOM 0 H LYS A 65 10.369 -5.054 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 65 8.469 -3.533 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.612 -5.608 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.947 -4.733 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.899 -5.713 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.790 -6.987 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.239 -6.027 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.457 -4.652 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.598 -6.034 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.002 -6.509 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.713 -8.442 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.321 -8.352 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.929 -7.891 -0.231 1.00 0.00 H new ATOM 990 N ALA A 66 11.603 -2.587 -3.698 1.00 0.00 N ATOM 991 CA ALA A 66 12.501 -1.482 -3.257 1.00 0.00 C ATOM 992 C ALA A 66 11.947 -0.145 -3.753 1.00 0.00 C ATOM 993 O ALA A 66 11.923 0.832 -3.032 1.00 0.00 O ATOM 994 CB ALA A 66 13.900 -1.701 -3.838 1.00 0.00 C ATOM 0 H ALA A 66 12.011 -3.236 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 66 12.556 -1.471 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.558 -0.894 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.295 -2.654 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.844 -1.712 -4.927 1.00 0.00 H new ATOM 1000 N GLN A 67 11.502 -0.093 -4.979 1.00 0.00 N ATOM 1001 CA GLN A 67 10.950 1.181 -5.518 1.00 0.00 C ATOM 1002 C GLN A 67 9.712 1.581 -4.714 1.00 0.00 C ATOM 1003 O GLN A 67 9.610 2.688 -4.223 1.00 0.00 O ATOM 1004 CB GLN A 67 10.565 0.988 -6.986 1.00 0.00 C ATOM 1005 CG GLN A 67 10.586 2.340 -7.701 1.00 0.00 C ATOM 1006 CD GLN A 67 9.955 2.195 -9.087 1.00 0.00 C ATOM 1007 OE1 GLN A 67 8.801 2.523 -9.279 1.00 0.00 O ATOM 1008 NE2 GLN A 67 10.669 1.715 -10.068 1.00 0.00 N ATOM 0 H GLN A 67 11.497 -0.878 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 67 11.703 1.966 -5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.259 0.299 -7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.573 0.542 -7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.040 3.081 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.611 2.699 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.638 1.440 -9.907 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.258 1.615 -10.996 1.00 0.00 H new ATOM 1017 N VAL A 68 8.768 0.691 -4.574 1.00 0.00 N ATOM 1018 CA VAL A 68 7.539 1.022 -3.802 1.00 0.00 C ATOM 1019 C VAL A 68 7.919 1.382 -2.365 1.00 0.00 C ATOM 1020 O VAL A 68 7.396 2.316 -1.789 1.00 0.00 O ATOM 1021 CB VAL A 68 6.601 -0.187 -3.793 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.375 0.123 -2.934 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.155 -0.497 -5.224 1.00 0.00 C ATOM 0 H VAL A 68 8.796 -0.252 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 68 7.036 1.870 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 68 7.125 -1.049 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.707 -0.739 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.691 0.344 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.851 0.985 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.487 -1.358 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.632 0.366 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.028 -0.719 -5.837 1.00 0.00 H new ATOM 1033 N GLU A 69 8.827 0.649 -1.781 1.00 0.00 N ATOM 1034 CA GLU A 69 9.241 0.950 -0.381 1.00 0.00 C ATOM 1035 C GLU A 69 9.456 2.457 -0.224 1.00 0.00 C ATOM 1036 O GLU A 69 9.063 3.051 0.760 1.00 0.00 O ATOM 1037 CB GLU A 69 10.544 0.213 -0.064 1.00 0.00 C ATOM 1038 CG GLU A 69 10.228 -1.083 0.685 1.00 0.00 C ATOM 1039 CD GLU A 69 11.532 -1.812 1.017 1.00 0.00 C ATOM 1040 OE1 GLU A 69 12.565 -1.164 1.018 1.00 0.00 O ATOM 1041 OE2 GLU A 69 11.474 -3.005 1.266 1.00 0.00 O ATOM 0 H GLU A 69 9.300 -0.145 -2.212 1.00 0.00 H new ATOM 0 HA GLU A 69 8.461 0.621 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.082 -0.009 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.194 0.846 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.679 -0.862 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.587 -1.721 0.076 1.00 0.00 H new ATOM 1048 N ASN A 70 10.081 3.080 -1.186 1.00 0.00 N ATOM 1049 CA ASN A 70 10.322 4.548 -1.090 1.00 0.00 C ATOM 1050 C ASN A 70 8.994 5.294 -1.235 1.00 0.00 C ATOM 1051 O ASN A 70 8.834 6.396 -0.750 1.00 0.00 O ATOM 1052 CB ASN A 70 11.275 4.980 -2.205 1.00 0.00 C ATOM 1053 CG ASN A 70 11.687 6.438 -1.988 1.00 0.00 C ATOM 1054 OD1 ASN A 70 10.880 7.337 -2.128 1.00 0.00 O ATOM 1055 ND2 ASN A 70 12.916 6.713 -1.649 1.00 0.00 N ATOM 0 H ASN A 70 10.435 2.636 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 70 10.765 4.782 -0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.157 4.339 -2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.791 4.868 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.200 7.682 -1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.593 5.960 -1.531 1.00 0.00 H new ATOM 1062 N GLU A 71 8.040 4.703 -1.902 1.00 0.00 N ATOM 1063 CA GLU A 71 6.725 5.382 -2.079 1.00 0.00 C ATOM 1064 C GLU A 71 5.874 5.180 -0.822 1.00 0.00 C ATOM 1065 O GLU A 71 4.999 5.967 -0.521 1.00 0.00 O ATOM 1066 CB GLU A 71 6.000 4.783 -3.287 1.00 0.00 C ATOM 1067 CG GLU A 71 5.097 5.844 -3.917 1.00 0.00 C ATOM 1068 CD GLU A 71 5.913 6.701 -4.887 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.864 7.321 -4.442 1.00 0.00 O ATOM 1070 OE2 GLU A 71 5.574 6.720 -6.059 1.00 0.00 O ATOM 0 H GLU A 71 8.114 3.781 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 71 6.885 6.448 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.724 4.426 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.407 3.922 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.271 5.367 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.660 6.472 -3.141 1.00 0.00 H new ATOM 1077 N PHE A 72 6.123 4.131 -0.088 1.00 0.00 N ATOM 1078 CA PHE A 72 5.330 3.880 1.148 1.00 0.00 C ATOM 1079 C PHE A 72 6.264 3.421 2.270 1.00 0.00 C ATOM 1080 O PHE A 72 6.526 4.147 3.208 1.00 0.00 O ATOM 1081 CB PHE A 72 4.289 2.792 0.873 1.00 0.00 C ATOM 1082 CG PHE A 72 3.104 3.397 0.161 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.281 4.315 0.824 1.00 0.00 C ATOM 1084 CD2 PHE A 72 2.828 3.042 -1.166 1.00 0.00 C ATOM 1085 CE1 PHE A 72 1.182 4.876 0.163 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.729 3.603 -1.827 1.00 0.00 C ATOM 1087 CZ PHE A 72 0.906 4.520 -1.162 1.00 0.00 C ATOM 0 H PHE A 72 6.842 3.436 -0.291 1.00 0.00 H new ATOM 0 HA PHE A 72 4.826 4.798 1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.727 2.000 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.969 2.335 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.494 4.591 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.463 2.335 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.547 5.584 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.516 3.329 -2.850 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.058 4.953 -1.672 1.00 0.00 H new ATOM 1097 N GLY A 73 6.768 2.221 2.180 1.00 0.00 N ATOM 1098 CA GLY A 73 7.685 1.716 3.242 1.00 0.00 C ATOM 1099 C GLY A 73 7.728 0.188 3.198 1.00 0.00 C ATOM 1100 O GLY A 73 7.195 -0.431 2.298 1.00 0.00 O ATOM 0 H GLY A 73 6.585 1.568 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.686 2.122 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.344 2.052 4.221 1.00 0.00 H new ATOM 1104 N LYS A 74 8.358 -0.425 4.161 1.00 0.00 N ATOM 1105 CA LYS A 74 8.433 -1.913 4.174 1.00 0.00 C ATOM 1106 C LYS A 74 7.681 -2.452 5.392 1.00 0.00 C ATOM 1107 O LYS A 74 7.458 -1.749 6.357 1.00 0.00 O ATOM 1108 CB LYS A 74 9.899 -2.348 4.246 1.00 0.00 C ATOM 1109 CG LYS A 74 9.976 -3.875 4.310 1.00 0.00 C ATOM 1110 CD LYS A 74 11.439 -4.315 4.252 1.00 0.00 C ATOM 1111 CE LYS A 74 11.510 -5.837 4.118 1.00 0.00 C ATOM 1112 NZ LYS A 74 10.847 -6.256 2.850 1.00 0.00 N ATOM 0 H LYS A 74 8.824 0.040 4.940 1.00 0.00 H new ATOM 0 HA LYS A 74 7.980 -2.308 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.441 -1.982 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.376 -1.912 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.513 -4.235 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.420 -4.313 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.939 -3.841 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.962 -3.994 5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.549 -6.165 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.022 -6.311 4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.261 -7.152 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.829 -6.386 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.988 -5.523 2.126 1.00 0.00 H new ATOM 1126 N GLY A 75 7.286 -3.696 5.354 1.00 0.00 N ATOM 1127 CA GLY A 75 6.548 -4.278 6.511 1.00 0.00 C ATOM 1128 C GLY A 75 5.052 -4.325 6.191 1.00 0.00 C ATOM 1129 O GLY A 75 4.309 -5.093 6.768 1.00 0.00 O ATOM 0 H GLY A 75 7.442 -4.333 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.917 -5.281 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.721 -3.679 7.405 1.00 0.00 H new ATOM 1133 N LYS A 76 4.606 -3.509 5.276 1.00 0.00 N ATOM 1134 CA LYS A 76 3.159 -3.506 4.922 1.00 0.00 C ATOM 1135 C LYS A 76 2.858 -4.690 4.000 1.00 0.00 C ATOM 1136 O LYS A 76 3.673 -5.574 3.823 1.00 0.00 O ATOM 1137 CB LYS A 76 2.811 -2.201 4.205 1.00 0.00 C ATOM 1138 CG LYS A 76 3.570 -1.043 4.855 1.00 0.00 C ATOM 1139 CD LYS A 76 2.685 0.205 4.867 1.00 0.00 C ATOM 1140 CE LYS A 76 3.471 1.383 5.447 1.00 0.00 C ATOM 1141 NZ LYS A 76 2.527 2.342 6.089 1.00 0.00 N ATOM 0 H LYS A 76 5.181 -2.844 4.758 1.00 0.00 H new ATOM 0 HA LYS A 76 2.563 -3.591 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.072 -2.273 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.737 -2.020 4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.857 -1.308 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.490 -0.844 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.353 0.438 3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.790 0.023 5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.196 1.026 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.033 1.883 4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.061 3.143 6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.852 2.692 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.010 1.861 6.852 1.00 0.00 H new ATOM 1155 N LYS A 77 1.694 -4.716 3.410 1.00 0.00 N ATOM 1156 CA LYS A 77 1.343 -5.842 2.501 1.00 0.00 C ATOM 1157 C LYS A 77 0.940 -5.288 1.133 1.00 0.00 C ATOM 1158 O LYS A 77 0.232 -4.304 1.034 1.00 0.00 O ATOM 1159 CB LYS A 77 0.176 -6.633 3.096 1.00 0.00 C ATOM 1160 CG LYS A 77 0.590 -7.214 4.449 1.00 0.00 C ATOM 1161 CD LYS A 77 -0.603 -7.928 5.086 1.00 0.00 C ATOM 1162 CE LYS A 77 -0.262 -8.307 6.529 1.00 0.00 C ATOM 1163 NZ LYS A 77 -0.113 -9.787 6.631 1.00 0.00 N ATOM 0 H LYS A 77 0.971 -4.005 3.519 1.00 0.00 H new ATOM 0 HA LYS A 77 2.206 -6.498 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.692 -5.985 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.117 -7.435 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.417 -7.912 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.944 -6.419 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.480 -7.281 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.853 -8.821 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.661 -7.816 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.047 -7.962 7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.119 -10.046 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.004 -10.246 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.651 -10.103 6.000 1.00 0.00 H new ATOM 1177 N ILE A 78 1.386 -5.910 0.076 1.00 0.00 N ATOM 1178 CA ILE A 78 1.031 -5.418 -1.285 1.00 0.00 C ATOM 1179 C ILE A 78 -0.432 -4.961 -1.292 1.00 0.00 C ATOM 1180 O ILE A 78 -0.762 -3.911 -1.806 1.00 0.00 O ATOM 1181 CB ILE A 78 1.247 -6.550 -2.302 1.00 0.00 C ATOM 1182 CG1 ILE A 78 1.883 -5.979 -3.576 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.084 -7.229 -2.649 1.00 0.00 C ATOM 1184 CD1 ILE A 78 0.856 -5.140 -4.340 1.00 0.00 C ATOM 0 H ILE A 78 1.981 -6.738 0.096 1.00 0.00 H new ATOM 0 HA ILE A 78 1.664 -4.573 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 78 1.910 -7.294 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.747 -5.366 -3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.245 -6.790 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.092 -8.027 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.525 -7.648 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.766 -6.495 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.314 -4.738 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.006 -5.765 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.516 -4.319 -3.709 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.311 -5.740 -0.723 1.00 0.00 N ATOM 1197 CA GLU A 79 -2.749 -5.349 -0.699 1.00 0.00 C ATOM 1198 C GLU A 79 -2.918 -4.073 0.128 1.00 0.00 C ATOM 1199 O GLU A 79 -3.628 -3.164 -0.253 1.00 0.00 O ATOM 1200 CB GLU A 79 -3.574 -6.476 -0.073 1.00 0.00 C ATOM 1201 CG GLU A 79 -4.237 -7.298 -1.179 1.00 0.00 C ATOM 1202 CD GLU A 79 -4.997 -8.471 -0.557 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -4.347 -9.373 -0.053 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -6.215 -8.449 -0.595 1.00 0.00 O ATOM 0 H GLU A 79 -1.096 -6.630 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.093 -5.169 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.934 -7.115 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.333 -6.060 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.920 -6.672 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.483 -7.667 -1.874 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.273 -3.998 1.261 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.400 -2.780 2.111 1.00 0.00 C ATOM 1213 C GLU A 80 -1.934 -1.554 1.322 1.00 0.00 C ATOM 1214 O GLU A 80 -2.481 -0.477 1.452 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.534 -2.940 3.363 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.131 -2.116 4.505 1.00 0.00 C ATOM 1217 CD GLU A 80 -3.007 -3.013 5.380 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -2.645 -4.164 5.564 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -4.026 -2.535 5.850 1.00 0.00 O ATOM 0 H GLU A 80 -1.664 -4.727 1.634 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.442 -2.648 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.479 -3.991 3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.515 -2.612 3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.334 -1.674 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.722 -1.293 4.103 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.928 -1.709 0.506 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.430 -0.550 -0.289 1.00 0.00 C ATOM 1228 C VAL A 81 -1.458 -0.188 -1.363 1.00 0.00 C ATOM 1229 O VAL A 81 -1.976 0.910 -1.393 1.00 0.00 O ATOM 1230 CB VAL A 81 0.896 -0.923 -0.955 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.149 0.007 -2.144 1.00 0.00 C ATOM 1232 CG2 VAL A 81 2.033 -0.774 0.057 1.00 0.00 C ATOM 0 H VAL A 81 -0.430 -2.586 0.355 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.278 0.305 0.369 1.00 0.00 H new ATOM 0 HB VAL A 81 0.850 -1.955 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.094 -0.258 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.339 -0.096 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.195 1.039 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.978 -1.039 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.078 0.258 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.854 -1.435 0.905 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.754 -1.101 -2.246 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.748 -0.807 -3.318 1.00 0.00 C ATOM 1244 C ILE A 82 -3.900 0.014 -2.735 1.00 0.00 C ATOM 1245 O ILE A 82 -4.367 0.960 -3.337 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.292 -2.120 -3.883 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.178 -2.850 -4.636 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.446 -1.823 -4.842 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.641 -4.265 -4.987 1.00 0.00 C ATOM 0 H ILE A 82 -1.351 -2.038 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.266 -0.241 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.651 -2.747 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.920 -2.305 -5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.278 -2.892 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.834 -2.758 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.239 -1.302 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.088 -1.197 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.847 -4.785 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.877 -4.808 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.529 -4.212 -5.616 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.363 -0.341 -1.568 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.485 0.418 -0.949 1.00 0.00 C ATOM 1263 C ASP A 83 -5.098 1.894 -0.830 1.00 0.00 C ATOM 1264 O ASP A 83 -5.775 2.766 -1.340 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.776 -0.145 0.444 1.00 0.00 C ATOM 1266 CG ASP A 83 -7.265 0.016 0.759 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.637 1.074 1.242 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -8.008 -0.920 0.513 1.00 0.00 O ATOM 0 H ASP A 83 -4.012 -1.124 -1.017 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.374 0.323 -1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.496 -1.197 0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.177 0.376 1.191 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.015 2.181 -0.162 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.587 3.600 -0.011 1.00 0.00 C ATOM 1275 C LEU A 84 -3.470 4.248 -1.393 1.00 0.00 C ATOM 1276 O LEU A 84 -3.685 5.432 -1.555 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.230 3.653 0.693 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.381 3.158 2.132 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -1.006 2.807 2.700 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.019 4.258 2.983 1.00 0.00 C ATOM 0 H LEU A 84 -3.408 1.494 0.286 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.325 4.140 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.507 3.036 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.845 4.673 0.687 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.015 2.271 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.115 2.454 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.551 2.024 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.370 3.692 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.128 3.907 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.384 5.144 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.000 4.507 2.579 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.129 3.479 -2.391 1.00 0.00 N ATOM 1293 CA ILE A 85 -2.999 4.051 -3.761 1.00 0.00 C ATOM 1294 C ILE A 85 -4.380 4.456 -4.278 1.00 0.00 C ATOM 1295 O ILE A 85 -4.653 5.618 -4.504 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.390 3.003 -4.695 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -0.864 3.021 -4.555 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.775 3.317 -6.141 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.276 4.122 -5.443 1.00 0.00 C ATOM 0 H ILE A 85 -2.935 2.480 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.353 4.928 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.768 2.016 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.587 3.193 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.452 2.053 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.340 2.569 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.860 3.302 -6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.399 4.304 -6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.809 4.131 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.541 3.931 -6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.678 5.088 -5.138 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.255 3.506 -4.468 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.618 3.839 -4.970 1.00 0.00 C ATOM 1313 C LEU A 86 -7.163 5.047 -4.206 1.00 0.00 C ATOM 1314 O LEU A 86 -7.746 5.945 -4.780 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.546 2.640 -4.758 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.008 1.435 -5.530 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.282 0.156 -4.736 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.704 1.349 -6.890 1.00 0.00 C ATOM 0 H LEU A 86 -5.085 2.515 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.566 4.076 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.615 2.404 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.553 2.882 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.934 1.548 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.898 -0.703 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.787 0.216 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.356 0.042 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.321 0.490 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.778 1.236 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.509 2.260 -7.457 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.978 5.077 -2.914 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.485 6.229 -2.116 1.00 0.00 C ATOM 1332 C ARG A 87 -7.108 7.538 -2.812 1.00 0.00 C ATOM 1333 O ARG A 87 -7.946 8.378 -3.070 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.861 6.195 -0.719 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.452 7.322 0.131 1.00 0.00 C ATOM 1336 CD ARG A 87 -6.931 7.207 1.564 1.00 0.00 C ATOM 1337 NE ARG A 87 -7.729 6.189 2.304 1.00 0.00 N ATOM 1338 CZ ARG A 87 -7.288 5.710 3.435 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -6.148 6.122 3.917 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -7.986 4.818 4.082 1.00 0.00 N ATOM 0 H ARG A 87 -6.498 4.354 -2.377 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.570 6.163 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.052 5.231 -0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.779 6.307 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.180 8.290 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.541 7.266 0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.878 6.925 1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.999 8.172 2.065 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.620 5.867 1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.602 6.818 3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.803 5.748 4.801 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.877 4.495 3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.641 4.444 4.966 1.00 0.00 H new ATOM 1354 N ASN A 88 -5.853 7.718 -3.117 1.00 0.00 N ATOM 1355 CA ASN A 88 -5.424 8.973 -3.797 1.00 0.00 C ATOM 1356 C ASN A 88 -5.957 8.984 -5.231 1.00 0.00 C ATOM 1357 O ASN A 88 -6.976 9.578 -5.520 1.00 0.00 O ATOM 1358 CB ASN A 88 -3.895 9.043 -3.821 1.00 0.00 C ATOM 1359 CG ASN A 88 -3.385 9.535 -2.464 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -3.722 8.980 -1.438 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -2.580 10.561 -2.417 1.00 0.00 N ATOM 0 H ASN A 88 -5.106 7.051 -2.925 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.819 9.833 -3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.479 8.060 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.564 9.716 -4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.234 10.897 -1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.297 11.027 -3.279 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.276 8.330 -6.131 1.00 0.00 N ATOM 1369 CA GLY A 89 -5.745 8.303 -7.546 1.00 0.00 C ATOM 1370 C GLY A 89 -5.650 9.708 -8.144 1.00 0.00 C ATOM 1371 O GLY A 89 -6.265 10.639 -7.665 1.00 0.00 O ATOM 0 H GLY A 89 -4.416 7.813 -5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.140 7.608 -8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.774 7.946 -7.592 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.883 9.867 -9.187 1.00 0.00 N ATOM 1376 CA LYS A 90 -4.748 11.212 -9.816 1.00 0.00 C ATOM 1377 C LYS A 90 -5.007 11.100 -11.319 1.00 0.00 C ATOM 1378 O LYS A 90 -4.090 11.096 -12.117 1.00 0.00 O ATOM 1379 CB LYS A 90 -3.335 11.747 -9.578 1.00 0.00 C ATOM 1380 CG LYS A 90 -3.288 13.237 -9.920 1.00 0.00 C ATOM 1381 CD LYS A 90 -2.046 13.867 -9.287 1.00 0.00 C ATOM 1382 CE LYS A 90 -2.452 14.656 -8.040 1.00 0.00 C ATOM 1383 NZ LYS A 90 -1.231 15.170 -7.358 1.00 0.00 N ATOM 0 H LYS A 90 -4.344 9.124 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.473 11.895 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.047 11.593 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.620 11.200 -10.192 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.266 13.372 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.187 13.733 -9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.327 13.092 -9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.554 14.526 -10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.103 15.485 -8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.019 14.018 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.506 15.706 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.626 14.371 -7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.707 15.792 -8.006 1.00 0.00 H new