USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 SER OG : rot 120:sc= -0.145 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= -2.36 USER MOD Set 2.1: A 8 MET CE :methyl 166:sc= -0.0383 (180deg=-0.439) USER MOD Set 2.2: A 78 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 36:sc= 0.247 USER MOD Single : A 5 SER OG : rot 46:sc= 0.0288 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.146 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -64:sc= 0.0858 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -4.76! C(o=-4.8!,f=-17!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 37 ASN : amide:sc= 0.605 K(o=0.61,f=-0.97) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.117 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.2) USER MOD Single : A 54 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.54) USER MOD Single : A 56 MET CE :methyl -156:sc= -4.86 (180deg=-6.61!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -7.71! C(o=-7.7!,f=-8.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -3.37! C(o=-3.4!,f=-4!) USER MOD Single : A 70 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.71!) USER MOD Single : A 75 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.4!) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.201 USER MOD Single : A 83 CYS SG : rot -70:sc= -2.82 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -1.04 (180deg=-1.26) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 56:sc= 0.805 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.340 -15.432 8.735 1.00 0.00 N ATOM 2 CA GLY A 1 -24.865 -14.175 8.228 1.00 0.00 C ATOM 3 C GLY A 1 -23.735 -13.265 7.742 1.00 0.00 C ATOM 4 O GLY A 1 -22.855 -12.894 8.517 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.126 -16.031 9.058 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.820 -15.921 7.979 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.698 -15.244 9.531 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.557 -14.370 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.431 -13.671 9.011 1.00 0.00 H new ATOM 8 N SER A 2 -23.797 -12.932 6.461 1.00 0.00 N ATOM 9 CA SER A 2 -22.790 -12.072 5.863 1.00 0.00 C ATOM 10 C SER A 2 -23.439 -11.143 4.835 1.00 0.00 C ATOM 11 O SER A 2 -24.435 -11.503 4.210 1.00 0.00 O ATOM 12 CB SER A 2 -21.681 -12.897 5.207 1.00 0.00 C ATOM 13 OG SER A 2 -22.111 -13.495 3.987 1.00 0.00 O ATOM 0 H SER A 2 -24.528 -13.242 5.821 1.00 0.00 H new ATOM 0 HA SER A 2 -22.340 -11.471 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.820 -12.258 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.352 -13.675 5.896 1.00 0.00 H new ATOM 0 HG SER A 2 -21.374 -14.011 3.598 1.00 0.00 H new ATOM 19 N SER A 3 -22.847 -9.966 4.692 1.00 0.00 N ATOM 20 CA SER A 3 -23.356 -8.982 3.751 1.00 0.00 C ATOM 21 C SER A 3 -22.241 -8.012 3.356 1.00 0.00 C ATOM 22 O SER A 3 -21.879 -7.921 2.184 1.00 0.00 O ATOM 23 CB SER A 3 -24.542 -8.217 4.341 1.00 0.00 C ATOM 24 OG SER A 3 -25.788 -8.818 3.999 1.00 0.00 O ATOM 0 H SER A 3 -22.020 -9.672 5.212 1.00 0.00 H new ATOM 0 HA SER A 3 -23.705 -9.507 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.444 -8.177 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.525 -7.188 3.981 1.00 0.00 H new ATOM 0 HG SER A 3 -25.686 -9.792 3.976 1.00 0.00 H new ATOM 30 N GLY A 4 -21.728 -7.310 4.356 1.00 0.00 N ATOM 31 CA GLY A 4 -20.663 -6.350 4.127 1.00 0.00 C ATOM 32 C GLY A 4 -19.375 -7.052 3.692 1.00 0.00 C ATOM 33 O GLY A 4 -19.234 -8.262 3.867 1.00 0.00 O ATOM 0 H GLY A 4 -22.031 -7.387 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.969 -5.638 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.481 -5.780 5.038 1.00 0.00 H new ATOM 37 N SER A 5 -18.468 -6.264 3.135 1.00 0.00 N ATOM 38 CA SER A 5 -17.196 -6.796 2.674 1.00 0.00 C ATOM 39 C SER A 5 -16.183 -5.661 2.510 1.00 0.00 C ATOM 40 O SER A 5 -15.098 -5.705 3.088 1.00 0.00 O ATOM 41 CB SER A 5 -17.362 -7.553 1.355 1.00 0.00 C ATOM 42 OG SER A 5 -17.286 -8.964 1.537 1.00 0.00 O ATOM 0 H SER A 5 -18.588 -5.261 2.992 1.00 0.00 H new ATOM 0 HA SER A 5 -16.828 -7.498 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.322 -7.296 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.589 -7.235 0.655 1.00 0.00 H new ATOM 0 HG SER A 5 -17.831 -9.224 2.308 1.00 0.00 H new ATOM 48 N SER A 6 -16.574 -4.671 1.720 1.00 0.00 N ATOM 49 CA SER A 6 -15.713 -3.527 1.474 1.00 0.00 C ATOM 50 C SER A 6 -14.434 -3.977 0.765 1.00 0.00 C ATOM 51 O SER A 6 -13.561 -4.587 1.380 1.00 0.00 O ATOM 52 CB SER A 6 -15.370 -2.804 2.778 1.00 0.00 C ATOM 53 OG SER A 6 -16.481 -2.072 3.290 1.00 0.00 O ATOM 0 H SER A 6 -17.475 -4.638 1.243 1.00 0.00 H new ATOM 0 HA SER A 6 -16.250 -2.828 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.042 -3.531 3.520 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.535 -2.124 2.607 1.00 0.00 H new ATOM 0 HG SER A 6 -16.223 -1.626 4.124 1.00 0.00 H new ATOM 59 N GLY A 7 -14.364 -3.659 -0.519 1.00 0.00 N ATOM 60 CA GLY A 7 -13.206 -4.023 -1.318 1.00 0.00 C ATOM 61 C GLY A 7 -11.963 -3.256 -0.864 1.00 0.00 C ATOM 62 O GLY A 7 -12.034 -2.060 -0.585 1.00 0.00 O ATOM 0 H GLY A 7 -15.090 -3.153 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.026 -5.095 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.404 -3.812 -2.369 1.00 0.00 H new ATOM 66 N MET A 8 -10.852 -3.976 -0.803 1.00 0.00 N ATOM 67 CA MET A 8 -9.595 -3.379 -0.386 1.00 0.00 C ATOM 68 C MET A 8 -8.959 -2.587 -1.531 1.00 0.00 C ATOM 69 O MET A 8 -9.275 -2.814 -2.698 1.00 0.00 O ATOM 70 CB MET A 8 -8.634 -4.478 0.071 1.00 0.00 C ATOM 71 CG MET A 8 -9.068 -5.060 1.417 1.00 0.00 C ATOM 72 SD MET A 8 -7.874 -6.265 1.975 1.00 0.00 S ATOM 73 CE MET A 8 -7.421 -5.548 3.546 1.00 0.00 C ATOM 0 H MET A 8 -10.797 -4.968 -1.036 1.00 0.00 H new ATOM 0 HA MET A 8 -9.795 -2.694 0.438 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.599 -5.270 -0.677 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.625 -4.073 0.154 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.163 -4.262 2.154 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.049 -5.525 1.322 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.878 -6.284 4.139 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.787 -4.677 3.379 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.321 -5.244 4.080 1.00 0.00 H new ATOM 83 N VAL A 9 -8.073 -1.676 -1.156 1.00 0.00 N ATOM 84 CA VAL A 9 -7.390 -0.849 -2.137 1.00 0.00 C ATOM 85 C VAL A 9 -6.069 -0.351 -1.546 1.00 0.00 C ATOM 86 O VAL A 9 -6.067 0.423 -0.590 1.00 0.00 O ATOM 87 CB VAL A 9 -8.307 0.287 -2.595 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.492 1.495 -3.059 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.260 -0.187 -3.694 1.00 0.00 C ATOM 0 H VAL A 9 -7.812 -1.492 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.149 -1.431 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.909 0.597 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.167 2.288 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.874 1.855 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.853 1.204 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.901 0.640 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.683 -0.537 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.876 -1.002 -3.315 1.00 0.00 H new ATOM 99 N ILE A 10 -4.979 -0.814 -2.139 1.00 0.00 N ATOM 100 CA ILE A 10 -3.656 -0.425 -1.683 1.00 0.00 C ATOM 101 C ILE A 10 -3.344 0.987 -2.183 1.00 0.00 C ATOM 102 O ILE A 10 -2.671 1.155 -3.199 1.00 0.00 O ATOM 103 CB ILE A 10 -2.617 -1.468 -2.100 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.935 -2.834 -1.487 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.202 -1.000 -1.756 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.113 -2.726 0.029 1.00 0.00 C ATOM 0 H ILE A 10 -4.985 -1.455 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.623 -0.393 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.663 -1.583 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.844 -3.236 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.131 -3.534 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.483 -1.760 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.990 -0.067 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.123 -0.839 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.338 -3.710 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.194 -2.347 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.933 -2.044 0.251 1.00 0.00 H new ATOM 118 N ARG A 11 -3.848 1.966 -1.446 1.00 0.00 N ATOM 119 CA ARG A 11 -3.632 3.358 -1.802 1.00 0.00 C ATOM 120 C ARG A 11 -2.138 3.685 -1.780 1.00 0.00 C ATOM 121 O ARG A 11 -1.580 3.986 -0.726 1.00 0.00 O ATOM 122 CB ARG A 11 -4.366 4.293 -0.839 1.00 0.00 C ATOM 123 CG ARG A 11 -5.872 4.025 -0.855 1.00 0.00 C ATOM 124 CD ARG A 11 -6.639 5.163 -0.180 1.00 0.00 C ATOM 125 NE ARG A 11 -6.024 5.483 1.128 1.00 0.00 N ATOM 126 CZ ARG A 11 -6.271 6.603 1.820 1.00 0.00 C ATOM 127 NH1 ARG A 11 -7.121 7.517 1.335 1.00 0.00 N ATOM 128 NH2 ARG A 11 -5.667 6.809 2.999 1.00 0.00 N ATOM 0 H ARG A 11 -4.405 1.823 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.026 3.508 -2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.980 4.157 0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.175 5.330 -1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.214 3.912 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.083 3.086 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.633 6.046 -0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.682 4.877 -0.041 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.371 4.808 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.581 7.361 0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.309 8.370 1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.020 6.113 3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.855 7.662 3.526 1.00 0.00 H new ATOM 142 N VAL A 12 -1.532 3.615 -2.956 1.00 0.00 N ATOM 143 CA VAL A 12 -0.113 3.900 -3.086 1.00 0.00 C ATOM 144 C VAL A 12 0.081 5.396 -3.343 1.00 0.00 C ATOM 145 O VAL A 12 -0.226 5.887 -4.428 1.00 0.00 O ATOM 146 CB VAL A 12 0.501 3.021 -4.177 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.934 3.455 -4.490 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.448 1.543 -3.785 1.00 0.00 C ATOM 0 H VAL A 12 -1.998 3.365 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 12 0.411 3.658 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.092 3.148 -5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.347 2.814 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.934 4.489 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.544 3.372 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.891 0.940 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.005 1.392 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.589 1.243 -3.637 1.00 0.00 H new ATOM 158 N PHE A 13 0.590 6.078 -2.328 1.00 0.00 N ATOM 159 CA PHE A 13 0.828 7.508 -2.431 1.00 0.00 C ATOM 160 C PHE A 13 2.083 7.796 -3.258 1.00 0.00 C ATOM 161 O PHE A 13 3.161 7.287 -2.954 1.00 0.00 O ATOM 162 CB PHE A 13 1.038 8.030 -1.008 1.00 0.00 C ATOM 163 CG PHE A 13 -0.261 8.287 -0.242 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.359 7.524 -0.490 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.317 9.278 0.688 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.565 7.763 0.222 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.523 9.516 1.400 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.621 8.754 1.152 1.00 0.00 C ATOM 0 H PHE A 13 0.844 5.667 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.017 7.992 -2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.639 7.310 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.611 8.956 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.314 6.737 -1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.555 9.884 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.437 7.158 0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.568 10.303 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.538 8.935 1.693 1.00 0.00 H new ATOM 178 N ILE A 14 1.900 8.611 -4.286 1.00 0.00 N ATOM 179 CA ILE A 14 3.004 8.973 -5.159 1.00 0.00 C ATOM 180 C ILE A 14 3.005 10.489 -5.371 1.00 0.00 C ATOM 181 O ILE A 14 1.952 11.124 -5.339 1.00 0.00 O ATOM 182 CB ILE A 14 2.945 8.170 -6.460 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.706 8.542 -7.277 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.017 6.668 -6.180 1.00 0.00 C ATOM 185 CD1 ILE A 14 2.099 9.219 -8.592 1.00 0.00 C ATOM 0 H ILE A 14 1.004 9.031 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 14 3.956 8.715 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 14 3.817 8.428 -7.061 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.121 7.646 -7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.070 9.210 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.973 6.120 -7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.952 6.438 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.177 6.375 -5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.200 9.473 -9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.663 10.127 -8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.715 8.539 -9.181 1.00 0.00 H new ATOM 197 N ALA A 15 4.198 11.024 -5.584 1.00 0.00 N ATOM 198 CA ALA A 15 4.350 12.452 -5.801 1.00 0.00 C ATOM 199 C ALA A 15 5.084 12.687 -7.123 1.00 0.00 C ATOM 200 O ALA A 15 6.309 12.801 -7.144 1.00 0.00 O ATOM 201 CB ALA A 15 5.079 13.076 -4.610 1.00 0.00 C ATOM 0 H ALA A 15 5.069 10.494 -5.611 1.00 0.00 H new ATOM 0 HA ALA A 15 3.375 12.935 -5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.193 14.148 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.502 12.907 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.063 12.619 -4.505 1.00 0.00 H new ATOM 207 N SER A 16 4.305 12.753 -8.192 1.00 0.00 N ATOM 208 CA SER A 16 4.867 12.973 -9.514 1.00 0.00 C ATOM 209 C SER A 16 6.031 13.962 -9.431 1.00 0.00 C ATOM 210 O SER A 16 7.191 13.558 -9.378 1.00 0.00 O ATOM 211 CB SER A 16 3.802 13.487 -10.486 1.00 0.00 C ATOM 212 OG SER A 16 4.379 14.151 -11.607 1.00 0.00 O ATOM 0 H SER A 16 3.290 12.658 -8.170 1.00 0.00 H new ATOM 0 HA SER A 16 5.236 12.019 -9.892 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.194 12.651 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.134 14.172 -9.963 1.00 0.00 H new ATOM 0 HG SER A 16 3.667 14.463 -12.204 1.00 0.00 H new ATOM 218 N SER A 17 5.680 15.240 -9.422 1.00 0.00 N ATOM 219 CA SER A 17 6.681 16.290 -9.346 1.00 0.00 C ATOM 220 C SER A 17 7.433 16.202 -8.016 1.00 0.00 C ATOM 221 O SER A 17 7.170 16.977 -7.098 1.00 0.00 O ATOM 222 CB SER A 17 6.044 17.672 -9.505 1.00 0.00 C ATOM 223 OG SER A 17 6.208 18.187 -10.823 1.00 0.00 O ATOM 0 H SER A 17 4.716 15.572 -9.466 1.00 0.00 H new ATOM 0 HA SER A 17 7.386 16.149 -10.165 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.982 17.611 -9.269 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.490 18.361 -8.788 1.00 0.00 H new ATOM 0 HG SER A 17 5.786 19.070 -10.884 1.00 0.00 H new ATOM 229 N SER A 18 8.352 15.250 -7.955 1.00 0.00 N ATOM 230 CA SER A 18 9.143 15.050 -6.753 1.00 0.00 C ATOM 231 C SER A 18 10.598 15.445 -7.012 1.00 0.00 C ATOM 232 O SER A 18 11.190 16.193 -6.235 1.00 0.00 O ATOM 233 CB SER A 18 9.064 13.598 -6.276 1.00 0.00 C ATOM 234 OG SER A 18 9.426 12.679 -7.303 1.00 0.00 O ATOM 0 H SER A 18 8.567 14.609 -8.719 1.00 0.00 H new ATOM 0 HA SER A 18 8.735 15.685 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.723 13.462 -5.419 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.051 13.382 -5.937 1.00 0.00 H new ATOM 0 HG SER A 18 8.779 12.737 -8.037 1.00 0.00 H new ATOM 240 N GLY A 19 11.133 14.925 -8.107 1.00 0.00 N ATOM 241 CA GLY A 19 12.508 15.214 -8.478 1.00 0.00 C ATOM 242 C GLY A 19 13.377 13.958 -8.385 1.00 0.00 C ATOM 243 O GLY A 19 13.912 13.493 -9.390 1.00 0.00 O ATOM 0 H GLY A 19 10.639 14.305 -8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.539 15.608 -9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.910 15.988 -7.824 1.00 0.00 H new ATOM 247 N PHE A 20 13.490 13.445 -7.169 1.00 0.00 N ATOM 248 CA PHE A 20 14.285 12.252 -6.931 1.00 0.00 C ATOM 249 C PHE A 20 13.776 11.078 -7.770 1.00 0.00 C ATOM 250 O PHE A 20 12.941 10.299 -7.312 1.00 0.00 O ATOM 251 CB PHE A 20 14.138 11.905 -5.448 1.00 0.00 C ATOM 252 CG PHE A 20 14.905 12.841 -4.511 1.00 0.00 C ATOM 253 CD1 PHE A 20 16.148 13.274 -4.851 1.00 0.00 C ATOM 254 CD2 PHE A 20 14.342 13.239 -3.339 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.859 14.143 -3.982 1.00 0.00 C ATOM 256 CE2 PHE A 20 15.054 14.108 -2.470 1.00 0.00 C ATOM 257 CZ PHE A 20 16.297 14.541 -2.809 1.00 0.00 C ATOM 0 H PHE A 20 13.044 13.833 -6.338 1.00 0.00 H new ATOM 0 HA PHE A 20 15.324 12.436 -7.205 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.081 11.928 -5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.484 10.884 -5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.595 12.957 -5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.355 12.895 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.846 14.488 -4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.607 14.425 -1.539 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.838 15.201 -2.147 1.00 0.00 H new ATOM 267 N VAL A 21 14.300 10.988 -8.984 1.00 0.00 N ATOM 268 CA VAL A 21 13.909 9.923 -9.891 1.00 0.00 C ATOM 269 C VAL A 21 13.867 8.598 -9.126 1.00 0.00 C ATOM 270 O VAL A 21 13.027 7.744 -9.404 1.00 0.00 O ATOM 271 CB VAL A 21 14.853 9.888 -11.095 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.259 9.450 -10.677 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.302 8.982 -12.198 1.00 0.00 C ATOM 0 H VAL A 21 14.992 11.636 -9.360 1.00 0.00 H new ATOM 0 HA VAL A 21 12.909 10.104 -10.284 1.00 0.00 H new ATOM 0 HB VAL A 21 14.922 10.899 -11.496 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.910 9.434 -11.551 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.655 10.151 -9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.214 8.453 -10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.992 8.975 -13.042 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.189 7.968 -11.814 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.332 9.356 -12.526 1.00 0.00 H new ATOM 283 N ALA A 22 14.783 8.469 -8.178 1.00 0.00 N ATOM 284 CA ALA A 22 14.861 7.263 -7.372 1.00 0.00 C ATOM 285 C ALA A 22 13.458 6.882 -6.894 1.00 0.00 C ATOM 286 O ALA A 22 13.052 5.727 -7.007 1.00 0.00 O ATOM 287 CB ALA A 22 15.831 7.487 -6.210 1.00 0.00 C ATOM 0 H ALA A 22 15.478 9.180 -7.950 1.00 0.00 H new ATOM 0 HA ALA A 22 15.246 6.432 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.889 6.582 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.820 7.726 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.476 8.313 -5.594 1.00 0.00 H new ATOM 293 N ILE A 23 12.756 7.877 -6.372 1.00 0.00 N ATOM 294 CA ILE A 23 11.407 7.661 -5.877 1.00 0.00 C ATOM 295 C ILE A 23 10.556 7.034 -6.984 1.00 0.00 C ATOM 296 O ILE A 23 9.928 5.997 -6.777 1.00 0.00 O ATOM 297 CB ILE A 23 10.827 8.962 -5.318 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.649 9.462 -4.128 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.348 8.795 -4.963 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.056 10.751 -3.555 1.00 0.00 C ATOM 0 H ILE A 23 13.096 8.834 -6.281 1.00 0.00 H new ATOM 0 HA ILE A 23 11.415 6.958 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 23 10.888 9.724 -6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.678 8.695 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.678 9.639 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.960 9.734 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.788 8.519 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.240 8.013 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.659 11.085 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.051 11.523 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.035 10.565 -3.221 1.00 0.00 H new ATOM 312 N LYS A 24 10.564 7.690 -8.135 1.00 0.00 N ATOM 313 CA LYS A 24 9.801 7.210 -9.274 1.00 0.00 C ATOM 314 C LYS A 24 9.977 5.696 -9.399 1.00 0.00 C ATOM 315 O LYS A 24 9.029 4.938 -9.199 1.00 0.00 O ATOM 316 CB LYS A 24 10.186 7.980 -10.539 1.00 0.00 C ATOM 317 CG LYS A 24 9.202 9.121 -10.807 1.00 0.00 C ATOM 318 CD LYS A 24 9.777 10.114 -11.819 1.00 0.00 C ATOM 319 CE LYS A 24 9.598 9.603 -13.250 1.00 0.00 C ATOM 320 NZ LYS A 24 8.523 10.353 -13.938 1.00 0.00 N ATOM 0 H LYS A 24 11.087 8.550 -8.303 1.00 0.00 H new ATOM 0 HA LYS A 24 8.737 7.396 -9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.194 8.382 -10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.202 7.301 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.263 8.715 -11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.975 9.637 -9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.282 11.079 -11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.836 10.274 -11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.533 9.709 -13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.356 8.540 -13.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.415 9.993 -14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.629 10.230 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.769 11.363 -13.969 1.00 0.00 H new ATOM 334 N LYS A 25 11.197 5.299 -9.729 1.00 0.00 N ATOM 335 CA LYS A 25 11.510 3.888 -9.883 1.00 0.00 C ATOM 336 C LYS A 25 10.797 3.090 -8.789 1.00 0.00 C ATOM 337 O LYS A 25 10.171 2.070 -9.069 1.00 0.00 O ATOM 338 CB LYS A 25 13.025 3.675 -9.912 1.00 0.00 C ATOM 339 CG LYS A 25 13.620 4.148 -11.240 1.00 0.00 C ATOM 340 CD LYS A 25 14.449 3.041 -11.894 1.00 0.00 C ATOM 341 CE LYS A 25 15.848 3.544 -12.254 1.00 0.00 C ATOM 342 NZ LYS A 25 16.873 2.548 -11.866 1.00 0.00 N ATOM 0 H LYS A 25 11.981 5.930 -9.894 1.00 0.00 H new ATOM 0 HA LYS A 25 11.142 3.518 -10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.488 4.218 -9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.250 2.619 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.819 4.454 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.246 5.024 -11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.527 2.191 -11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.944 2.686 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.907 3.737 -13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.042 4.490 -11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.817 2.905 -12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.827 2.384 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.696 1.654 -12.368 1.00 0.00 H new ATOM 356 N LYS A 26 10.918 3.586 -7.566 1.00 0.00 N ATOM 357 CA LYS A 26 10.293 2.932 -6.429 1.00 0.00 C ATOM 358 C LYS A 26 8.773 2.955 -6.604 1.00 0.00 C ATOM 359 O LYS A 26 8.120 1.916 -6.525 1.00 0.00 O ATOM 360 CB LYS A 26 10.770 3.563 -5.119 1.00 0.00 C ATOM 361 CG LYS A 26 12.288 3.437 -4.971 1.00 0.00 C ATOM 362 CD LYS A 26 12.793 4.261 -3.785 1.00 0.00 C ATOM 363 CE LYS A 26 14.274 3.984 -3.517 1.00 0.00 C ATOM 364 NZ LYS A 26 14.731 4.725 -2.320 1.00 0.00 N ATOM 0 H LYS A 26 11.439 4.433 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 26 10.593 1.885 -6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.484 4.615 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.277 3.078 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.558 2.390 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.775 3.773 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.648 5.322 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.208 4.023 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.430 2.915 -3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.868 4.278 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.738 4.526 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.600 5.745 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.176 4.425 -1.493 1.00 0.00 H new ATOM 378 N GLN A 27 8.255 4.151 -6.839 1.00 0.00 N ATOM 379 CA GLN A 27 6.824 4.323 -7.027 1.00 0.00 C ATOM 380 C GLN A 27 6.309 3.359 -8.097 1.00 0.00 C ATOM 381 O GLN A 27 5.148 2.955 -8.067 1.00 0.00 O ATOM 382 CB GLN A 27 6.488 5.772 -7.386 1.00 0.00 C ATOM 383 CG GLN A 27 6.875 6.722 -6.252 1.00 0.00 C ATOM 384 CD GLN A 27 6.373 8.141 -6.529 1.00 0.00 C ATOM 385 OE1 GLN A 27 5.852 8.823 -5.662 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.557 8.544 -7.783 1.00 0.00 N ATOM 0 H GLN A 27 8.800 5.011 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 27 6.324 4.091 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.013 6.056 -8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.421 5.861 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.457 6.362 -5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.959 6.732 -6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.000 7.922 -8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.255 9.475 -8.069 1.00 0.00 H new ATOM 395 N GLN A 28 7.199 3.018 -9.018 1.00 0.00 N ATOM 396 CA GLN A 28 6.849 2.109 -10.096 1.00 0.00 C ATOM 397 C GLN A 28 6.884 0.662 -9.602 1.00 0.00 C ATOM 398 O GLN A 28 5.873 -0.037 -9.645 1.00 0.00 O ATOM 399 CB GLN A 28 7.776 2.301 -11.298 1.00 0.00 C ATOM 400 CG GLN A 28 7.400 3.558 -12.086 1.00 0.00 C ATOM 401 CD GLN A 28 6.842 3.195 -13.463 1.00 0.00 C ATOM 402 OE1 GLN A 28 5.665 2.922 -13.632 1.00 0.00 O ATOM 403 NE2 GLN A 28 7.749 3.207 -14.435 1.00 0.00 N ATOM 0 H GLN A 28 8.161 3.355 -9.040 1.00 0.00 H new ATOM 0 HA GLN A 28 5.834 2.337 -10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.808 2.377 -10.957 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.718 1.429 -11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.660 4.133 -11.529 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.277 4.195 -12.201 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.718 3.445 -14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.475 2.979 -15.391 1.00 0.00 H new ATOM 412 N ASP A 29 8.058 0.254 -9.145 1.00 0.00 N ATOM 413 CA ASP A 29 8.239 -1.097 -8.643 1.00 0.00 C ATOM 414 C ASP A 29 7.009 -1.502 -7.828 1.00 0.00 C ATOM 415 O ASP A 29 6.657 -2.680 -7.771 1.00 0.00 O ATOM 416 CB ASP A 29 9.462 -1.187 -7.729 1.00 0.00 C ATOM 417 CG ASP A 29 10.370 -2.392 -7.980 1.00 0.00 C ATOM 418 OD1 ASP A 29 10.005 -3.205 -8.857 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.409 -2.474 -7.291 1.00 0.00 O ATOM 0 H ASP A 29 8.895 0.836 -9.112 1.00 0.00 H new ATOM 0 HA ASP A 29 8.379 -1.758 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.051 -0.277 -7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.122 -1.217 -6.694 1.00 0.00 H new ATOM 424 N VAL A 30 6.387 -0.504 -7.218 1.00 0.00 N ATOM 425 CA VAL A 30 5.204 -0.741 -6.409 1.00 0.00 C ATOM 426 C VAL A 30 4.057 -1.199 -7.312 1.00 0.00 C ATOM 427 O VAL A 30 3.878 -2.395 -7.536 1.00 0.00 O ATOM 428 CB VAL A 30 4.864 0.512 -5.599 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.526 0.350 -4.874 1.00 0.00 C ATOM 430 CG2 VAL A 30 5.984 0.848 -4.613 1.00 0.00 C ATOM 0 H VAL A 30 6.681 0.472 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 30 5.388 -1.538 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 30 4.769 1.345 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.308 1.254 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.735 0.181 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.581 -0.501 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.717 1.742 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.125 0.015 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.909 1.027 -5.161 1.00 0.00 H new ATOM 440 N VAL A 31 3.310 -0.223 -7.806 1.00 0.00 N ATOM 441 CA VAL A 31 2.185 -0.510 -8.680 1.00 0.00 C ATOM 442 C VAL A 31 2.561 -1.650 -9.629 1.00 0.00 C ATOM 443 O VAL A 31 1.861 -2.659 -9.700 1.00 0.00 O ATOM 444 CB VAL A 31 1.755 0.761 -9.414 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.924 1.739 -9.549 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.157 0.429 -10.783 1.00 0.00 C ATOM 0 H VAL A 31 3.462 0.768 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 31 1.324 -0.840 -8.099 1.00 0.00 H new ATOM 0 HB VAL A 31 0.981 1.245 -8.819 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.591 2.634 -10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.285 2.014 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.730 1.267 -10.111 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.860 1.351 -11.283 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.900 -0.089 -11.389 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.284 -0.211 -10.653 1.00 0.00 H new ATOM 456 N ARG A 32 3.665 -1.451 -10.334 1.00 0.00 N ATOM 457 CA ARG A 32 4.141 -2.450 -11.276 1.00 0.00 C ATOM 458 C ARG A 32 3.907 -3.856 -10.721 1.00 0.00 C ATOM 459 O ARG A 32 3.275 -4.687 -11.373 1.00 0.00 O ATOM 460 CB ARG A 32 5.632 -2.265 -11.567 1.00 0.00 C ATOM 461 CG ARG A 32 5.869 -1.054 -12.472 1.00 0.00 C ATOM 462 CD ARG A 32 6.186 -1.493 -13.903 1.00 0.00 C ATOM 463 NE ARG A 32 6.212 -0.316 -14.799 1.00 0.00 N ATOM 464 CZ ARG A 32 6.127 -0.387 -16.134 1.00 0.00 C ATOM 465 NH1 ARG A 32 6.009 -1.578 -16.736 1.00 0.00 N ATOM 466 NH2 ARG A 32 6.159 0.734 -16.868 1.00 0.00 N ATOM 0 H ARG A 32 4.243 -0.613 -10.272 1.00 0.00 H new ATOM 0 HA ARG A 32 3.583 -2.325 -12.204 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.175 -2.136 -10.631 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.027 -3.162 -12.043 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.985 -0.416 -12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.693 -0.458 -12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.149 -2.003 -13.931 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.437 -2.206 -14.248 1.00 0.00 H new ATOM 0 HE ARG A 32 6.300 0.607 -14.374 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.984 -2.431 -16.178 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.944 -1.631 -17.753 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.248 1.641 -16.410 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.094 0.680 -17.885 1.00 0.00 H new ATOM 480 N PHE A 33 4.430 -4.081 -9.525 1.00 0.00 N ATOM 481 CA PHE A 33 4.285 -5.372 -8.875 1.00 0.00 C ATOM 482 C PHE A 33 2.810 -5.745 -8.718 1.00 0.00 C ATOM 483 O PHE A 33 2.417 -6.874 -9.009 1.00 0.00 O ATOM 484 CB PHE A 33 4.918 -5.249 -7.488 1.00 0.00 C ATOM 485 CG PHE A 33 5.029 -6.576 -6.734 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.925 -7.126 -6.161 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.231 -7.204 -6.637 1.00 0.00 C ATOM 488 CE1 PHE A 33 4.028 -8.357 -5.461 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.334 -8.436 -5.937 1.00 0.00 C ATOM 490 CZ PHE A 33 5.230 -8.986 -5.364 1.00 0.00 C ATOM 0 H PHE A 33 4.955 -3.390 -8.989 1.00 0.00 H new ATOM 0 HA PHE A 33 4.766 -6.145 -9.474 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.914 -4.817 -7.591 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.329 -4.552 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.970 -6.627 -6.238 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.107 -6.766 -7.092 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.152 -8.794 -5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.288 -8.935 -5.860 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.308 -9.923 -4.832 1.00 0.00 H new ATOM 500 N LEU A 34 2.033 -4.776 -8.259 1.00 0.00 N ATOM 501 CA LEU A 34 0.609 -4.988 -8.060 1.00 0.00 C ATOM 502 C LEU A 34 -0.047 -5.309 -9.404 1.00 0.00 C ATOM 503 O LEU A 34 -0.776 -6.293 -9.524 1.00 0.00 O ATOM 504 CB LEU A 34 -0.016 -3.791 -7.341 1.00 0.00 C ATOM 505 CG LEU A 34 0.703 -3.318 -6.076 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.355 -1.862 -5.759 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.408 -4.248 -4.897 1.00 0.00 C ATOM 0 H LEU A 34 2.362 -3.841 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 34 0.439 -5.845 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.064 -2.957 -8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.042 -4.046 -7.078 1.00 0.00 H new ATOM 0 HG LEU A 34 1.777 -3.360 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.879 -1.551 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.658 -1.226 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.720 -1.770 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.931 -3.889 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.665 -4.262 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.747 -5.256 -5.135 1.00 0.00 H new ATOM 519 N GLU A 35 0.235 -4.461 -10.382 1.00 0.00 N ATOM 520 CA GLU A 35 -0.318 -4.642 -11.713 1.00 0.00 C ATOM 521 C GLU A 35 0.094 -6.002 -12.279 1.00 0.00 C ATOM 522 O GLU A 35 -0.747 -6.758 -12.764 1.00 0.00 O ATOM 523 CB GLU A 35 0.112 -3.507 -12.645 1.00 0.00 C ATOM 524 CG GLU A 35 -0.640 -2.215 -12.319 1.00 0.00 C ATOM 525 CD GLU A 35 -2.114 -2.323 -12.715 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.365 -2.482 -13.929 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.956 -2.245 -11.794 1.00 0.00 O ATOM 0 H GLU A 35 0.840 -3.646 -10.279 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.405 -4.615 -11.640 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.185 -3.341 -12.551 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.077 -3.791 -13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.561 -2.003 -11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.179 -1.379 -12.845 1.00 0.00 H new ATOM 534 N ALA A 36 1.388 -6.274 -12.197 1.00 0.00 N ATOM 535 CA ALA A 36 1.922 -7.530 -12.695 1.00 0.00 C ATOM 536 C ALA A 36 1.313 -8.688 -11.903 1.00 0.00 C ATOM 537 O ALA A 36 1.255 -9.816 -12.390 1.00 0.00 O ATOM 538 CB ALA A 36 3.450 -7.505 -12.610 1.00 0.00 C ATOM 0 H ALA A 36 2.083 -5.646 -11.793 1.00 0.00 H new ATOM 0 HA ALA A 36 1.656 -7.671 -13.743 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.851 -8.447 -12.984 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.835 -6.683 -13.213 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.754 -7.367 -11.572 1.00 0.00 H new ATOM 544 N ASN A 37 0.873 -8.369 -10.695 1.00 0.00 N ATOM 545 CA ASN A 37 0.269 -9.369 -9.830 1.00 0.00 C ATOM 546 C ASN A 37 -1.252 -9.210 -9.858 1.00 0.00 C ATOM 547 O ASN A 37 -1.964 -9.884 -9.115 1.00 0.00 O ATOM 548 CB ASN A 37 0.736 -9.200 -8.383 1.00 0.00 C ATOM 549 CG ASN A 37 2.065 -9.921 -8.148 1.00 0.00 C ATOM 550 OD1 ASN A 37 2.115 -11.066 -7.730 1.00 0.00 O ATOM 551 ND2 ASN A 37 3.137 -9.189 -8.440 1.00 0.00 N ATOM 0 H ASN A 37 0.922 -7.432 -10.294 1.00 0.00 H new ATOM 0 HA ASN A 37 0.567 -10.353 -10.192 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.848 -8.140 -8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.021 -9.594 -7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.071 -9.581 -8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.025 -8.236 -8.786 1.00 0.00 H new ATOM 558 N LYS A 38 -1.706 -8.314 -10.722 1.00 0.00 N ATOM 559 CA LYS A 38 -3.130 -8.057 -10.855 1.00 0.00 C ATOM 560 C LYS A 38 -3.728 -7.792 -9.472 1.00 0.00 C ATOM 561 O LYS A 38 -4.762 -8.358 -9.120 1.00 0.00 O ATOM 562 CB LYS A 38 -3.811 -9.199 -11.611 1.00 0.00 C ATOM 563 CG LYS A 38 -3.440 -9.173 -13.096 1.00 0.00 C ATOM 564 CD LYS A 38 -4.466 -8.375 -13.903 1.00 0.00 C ATOM 565 CE LYS A 38 -5.407 -9.308 -14.668 1.00 0.00 C ATOM 566 NZ LYS A 38 -4.882 -9.575 -16.026 1.00 0.00 N ATOM 0 H LYS A 38 -1.113 -7.757 -11.337 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.302 -7.162 -11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.517 -10.154 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.892 -9.118 -11.501 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.451 -8.731 -13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.384 -10.192 -13.479 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.044 -7.738 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.951 -7.717 -14.604 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.520 -10.246 -14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.398 -8.859 -14.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.533 -10.210 -16.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.797 -8.679 -16.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.947 -10.024 -15.955 1.00 0.00 H new ATOM 580 N ILE A 39 -3.052 -6.931 -8.726 1.00 0.00 N ATOM 581 CA ILE A 39 -3.504 -6.584 -7.389 1.00 0.00 C ATOM 582 C ILE A 39 -4.258 -5.253 -7.440 1.00 0.00 C ATOM 583 O ILE A 39 -3.959 -4.398 -8.271 1.00 0.00 O ATOM 584 CB ILE A 39 -2.330 -6.588 -6.408 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.758 -7.998 -6.244 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.733 -5.973 -5.067 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.466 -7.973 -5.425 1.00 0.00 C ATOM 0 H ILE A 39 -2.195 -6.463 -9.022 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.203 -7.333 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.537 -5.965 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.492 -8.637 -5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.563 -8.432 -7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.880 -5.989 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.055 -4.943 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.551 -6.548 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.080 -8.987 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.274 -7.352 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.670 -7.561 -4.436 1.00 0.00 H new ATOM 599 N GLU A 40 -5.221 -5.121 -6.540 1.00 0.00 N ATOM 600 CA GLU A 40 -6.020 -3.909 -6.472 1.00 0.00 C ATOM 601 C GLU A 40 -5.273 -2.824 -5.695 1.00 0.00 C ATOM 602 O GLU A 40 -4.674 -3.099 -4.657 1.00 0.00 O ATOM 603 CB GLU A 40 -7.388 -4.189 -5.844 1.00 0.00 C ATOM 604 CG GLU A 40 -7.309 -4.145 -4.317 1.00 0.00 C ATOM 605 CD GLU A 40 -8.303 -5.124 -3.688 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.482 -5.079 -4.102 1.00 0.00 O ATOM 607 OE2 GLU A 40 -7.861 -5.895 -2.809 1.00 0.00 O ATOM 0 H GLU A 40 -5.466 -5.833 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.189 -3.551 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.111 -3.453 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.746 -5.167 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.297 -4.391 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.518 -3.134 -3.967 1.00 0.00 H new ATOM 614 N PHE A 41 -5.332 -1.612 -6.229 1.00 0.00 N ATOM 615 CA PHE A 41 -4.668 -0.484 -5.599 1.00 0.00 C ATOM 616 C PHE A 41 -4.994 0.821 -6.328 1.00 0.00 C ATOM 617 O PHE A 41 -5.780 0.828 -7.274 1.00 0.00 O ATOM 618 CB PHE A 41 -3.162 -0.743 -5.691 1.00 0.00 C ATOM 619 CG PHE A 41 -2.589 -0.591 -7.101 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.172 0.628 -7.538 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.497 -1.674 -7.918 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.640 0.769 -8.847 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.965 -1.533 -9.227 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.548 -0.315 -9.664 1.00 0.00 C ATOM 0 H PHE A 41 -5.829 -1.387 -7.091 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.002 -0.385 -4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.644 -0.054 -5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.955 -1.751 -5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.246 1.488 -6.889 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.829 -2.642 -7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.308 1.737 -9.194 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.892 -2.393 -9.876 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.144 -0.208 -10.660 1.00 0.00 H new ATOM 634 N GLU A 42 -4.373 1.894 -5.861 1.00 0.00 N ATOM 635 CA GLU A 42 -4.587 3.202 -6.457 1.00 0.00 C ATOM 636 C GLU A 42 -3.373 4.101 -6.214 1.00 0.00 C ATOM 637 O GLU A 42 -2.777 4.069 -5.139 1.00 0.00 O ATOM 638 CB GLU A 42 -5.865 3.848 -5.916 1.00 0.00 C ATOM 639 CG GLU A 42 -5.739 4.145 -4.421 1.00 0.00 C ATOM 640 CD GLU A 42 -6.898 5.018 -3.936 1.00 0.00 C ATOM 641 OE1 GLU A 42 -7.926 4.427 -3.539 1.00 0.00 O ATOM 642 OE2 GLU A 42 -6.731 6.256 -3.972 1.00 0.00 O ATOM 0 H GLU A 42 -3.721 1.884 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.710 3.074 -7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.067 4.772 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.713 3.185 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.724 3.210 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.793 4.649 -4.225 1.00 0.00 H new ATOM 649 N GLU A 43 -3.044 4.883 -7.232 1.00 0.00 N ATOM 650 CA GLU A 43 -1.912 5.790 -7.143 1.00 0.00 C ATOM 651 C GLU A 43 -2.369 7.163 -6.646 1.00 0.00 C ATOM 652 O GLU A 43 -2.695 8.039 -7.445 1.00 0.00 O ATOM 653 CB GLU A 43 -1.194 5.905 -8.489 1.00 0.00 C ATOM 654 CG GLU A 43 -0.283 4.699 -8.730 1.00 0.00 C ATOM 655 CD GLU A 43 -0.618 4.015 -10.056 1.00 0.00 C ATOM 656 OE1 GLU A 43 -1.822 3.759 -10.274 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.337 3.763 -10.822 1.00 0.00 O ATOM 0 H GLU A 43 -3.541 4.907 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.202 5.383 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.928 5.977 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.604 6.821 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.758 5.021 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.392 3.987 -7.912 1.00 0.00 H new ATOM 664 N VAL A 44 -2.379 7.307 -5.329 1.00 0.00 N ATOM 665 CA VAL A 44 -2.791 8.558 -4.716 1.00 0.00 C ATOM 666 C VAL A 44 -1.730 9.627 -4.987 1.00 0.00 C ATOM 667 O VAL A 44 -0.780 9.773 -4.219 1.00 0.00 O ATOM 668 CB VAL A 44 -3.060 8.347 -3.225 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.175 9.686 -2.494 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.312 7.495 -3.009 1.00 0.00 C ATOM 0 H VAL A 44 -2.108 6.578 -4.669 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.725 8.909 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.211 7.808 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.366 9.508 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.245 10.243 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.996 10.263 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.480 7.360 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.173 7.995 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.176 6.522 -3.480 1.00 0.00 H new ATOM 680 N ASP A 45 -1.928 10.348 -6.081 1.00 0.00 N ATOM 681 CA ASP A 45 -1.000 11.399 -6.463 1.00 0.00 C ATOM 682 C ASP A 45 -0.983 12.477 -5.377 1.00 0.00 C ATOM 683 O ASP A 45 -1.687 13.480 -5.482 1.00 0.00 O ATOM 684 CB ASP A 45 -1.424 12.058 -7.776 1.00 0.00 C ATOM 685 CG ASP A 45 -0.406 13.035 -8.368 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.118 13.853 -7.583 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.175 12.940 -9.593 1.00 0.00 O ATOM 0 H ASP A 45 -2.717 10.225 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.015 10.950 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.624 11.277 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.362 12.589 -7.612 1.00 0.00 H new ATOM 692 N ILE A 46 -0.170 12.233 -4.359 1.00 0.00 N ATOM 693 CA ILE A 46 -0.052 13.170 -3.255 1.00 0.00 C ATOM 694 C ILE A 46 0.452 14.515 -3.784 1.00 0.00 C ATOM 695 O ILE A 46 0.270 15.547 -3.140 1.00 0.00 O ATOM 696 CB ILE A 46 0.819 12.582 -2.143 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.234 12.296 -2.649 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.165 11.339 -1.534 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.232 12.252 -1.490 1.00 0.00 C ATOM 0 H ILE A 46 0.413 11.400 -4.276 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.027 13.350 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 46 0.905 13.323 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.248 11.345 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.532 13.065 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.804 10.940 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.804 11.607 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.029 10.583 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.230 12.047 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.233 13.212 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.945 11.465 -0.792 1.00 0.00 H new ATOM 711 N THR A 47 1.075 14.458 -4.952 1.00 0.00 N ATOM 712 CA THR A 47 1.606 15.658 -5.575 1.00 0.00 C ATOM 713 C THR A 47 0.470 16.614 -5.947 1.00 0.00 C ATOM 714 O THR A 47 0.532 17.805 -5.646 1.00 0.00 O ATOM 715 CB THR A 47 2.458 15.232 -6.772 1.00 0.00 C ATOM 716 OG1 THR A 47 3.799 15.436 -6.335 1.00 0.00 O ATOM 717 CG2 THR A 47 2.307 16.178 -7.965 1.00 0.00 C ATOM 0 H THR A 47 1.224 13.600 -5.483 1.00 0.00 H new ATOM 0 HA THR A 47 2.242 16.213 -4.886 1.00 0.00 H new ATOM 0 HB THR A 47 2.181 14.222 -7.073 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.409 15.337 -7.095 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.933 15.830 -8.787 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.265 16.197 -8.285 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.616 17.182 -7.674 1.00 0.00 H new ATOM 725 N MET A 48 -0.540 16.056 -6.597 1.00 0.00 N ATOM 726 CA MET A 48 -1.688 16.843 -7.014 1.00 0.00 C ATOM 727 C MET A 48 -2.543 17.245 -5.810 1.00 0.00 C ATOM 728 O MET A 48 -2.770 18.430 -5.573 1.00 0.00 O ATOM 729 CB MET A 48 -2.536 16.031 -7.995 1.00 0.00 C ATOM 730 CG MET A 48 -1.736 15.680 -9.251 1.00 0.00 C ATOM 731 SD MET A 48 -2.208 16.756 -10.595 1.00 0.00 S ATOM 732 CE MET A 48 -0.932 16.354 -11.776 1.00 0.00 C ATOM 0 H MET A 48 -0.587 15.068 -6.845 1.00 0.00 H new ATOM 0 HA MET A 48 -1.326 17.750 -7.498 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.882 15.117 -7.512 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.423 16.600 -8.272 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.669 15.779 -9.052 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.914 14.641 -9.527 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.077 16.942 -12.683 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.044 16.582 -11.348 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.983 15.293 -12.020 1.00 0.00 H new ATOM 742 N SER A 49 -2.994 16.234 -5.082 1.00 0.00 N ATOM 743 CA SER A 49 -3.819 16.467 -3.909 1.00 0.00 C ATOM 744 C SER A 49 -2.933 16.699 -2.683 1.00 0.00 C ATOM 745 O SER A 49 -2.380 15.752 -2.125 1.00 0.00 O ATOM 746 CB SER A 49 -4.770 15.294 -3.662 1.00 0.00 C ATOM 747 OG SER A 49 -5.829 15.255 -4.615 1.00 0.00 O ATOM 0 H SER A 49 -2.804 15.252 -5.282 1.00 0.00 H new ATOM 0 HA SER A 49 -4.422 17.357 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.211 14.359 -3.703 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.188 15.372 -2.658 1.00 0.00 H new ATOM 0 HG SER A 49 -6.413 14.491 -4.424 1.00 0.00 H new ATOM 753 N GLU A 50 -2.826 17.962 -2.300 1.00 0.00 N ATOM 754 CA GLU A 50 -2.017 18.330 -1.151 1.00 0.00 C ATOM 755 C GLU A 50 -2.459 17.543 0.084 1.00 0.00 C ATOM 756 O GLU A 50 -1.649 16.870 0.719 1.00 0.00 O ATOM 757 CB GLU A 50 -2.083 19.837 -0.894 1.00 0.00 C ATOM 758 CG GLU A 50 -1.191 20.232 0.285 1.00 0.00 C ATOM 759 CD GLU A 50 -0.091 21.198 -0.159 1.00 0.00 C ATOM 760 OE1 GLU A 50 -0.455 22.255 -0.719 1.00 0.00 O ATOM 761 OE2 GLU A 50 1.090 20.858 0.071 1.00 0.00 O ATOM 0 H GLU A 50 -3.286 18.744 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.979 18.077 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.770 20.376 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.113 20.130 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.796 20.697 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.742 19.340 0.721 1.00 0.00 H new ATOM 768 N GLU A 51 -3.744 17.654 0.387 1.00 0.00 N ATOM 769 CA GLU A 51 -4.305 16.961 1.535 1.00 0.00 C ATOM 770 C GLU A 51 -3.728 15.547 1.634 1.00 0.00 C ATOM 771 O GLU A 51 -3.126 15.188 2.645 1.00 0.00 O ATOM 772 CB GLU A 51 -5.833 16.926 1.463 1.00 0.00 C ATOM 773 CG GLU A 51 -6.444 16.773 2.857 1.00 0.00 C ATOM 774 CD GLU A 51 -7.942 16.473 2.769 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.272 15.369 2.283 1.00 0.00 O ATOM 776 OE2 GLU A 51 -8.723 17.354 3.188 1.00 0.00 O ATOM 0 H GLU A 51 -4.413 18.213 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.030 17.509 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.200 17.842 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.152 16.098 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.939 15.969 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.285 17.687 3.430 1.00 0.00 H new ATOM 783 N GLN A 52 -3.934 14.782 0.572 1.00 0.00 N ATOM 784 CA GLN A 52 -3.442 13.416 0.527 1.00 0.00 C ATOM 785 C GLN A 52 -2.034 13.338 1.120 1.00 0.00 C ATOM 786 O GLN A 52 -1.764 12.500 1.979 1.00 0.00 O ATOM 787 CB GLN A 52 -3.465 12.872 -0.903 1.00 0.00 C ATOM 788 CG GLN A 52 -4.897 12.792 -1.436 1.00 0.00 C ATOM 789 CD GLN A 52 -5.727 11.791 -0.630 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.835 10.622 -0.964 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.306 12.313 0.448 1.00 0.00 N ATOM 0 H GLN A 52 -4.435 15.083 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.103 12.793 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.868 13.514 -1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.008 11.883 -0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.362 13.777 -1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.882 12.496 -2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.174 13.300 0.670 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.881 11.726 1.052 1.00 0.00 H new ATOM 800 N ARG A 53 -1.174 14.223 0.639 1.00 0.00 N ATOM 801 CA ARG A 53 0.199 14.266 1.112 1.00 0.00 C ATOM 802 C ARG A 53 0.236 14.579 2.609 1.00 0.00 C ATOM 803 O ARG A 53 0.796 13.814 3.393 1.00 0.00 O ATOM 804 CB ARG A 53 1.009 15.321 0.356 1.00 0.00 C ATOM 805 CG ARG A 53 2.508 15.029 0.444 1.00 0.00 C ATOM 806 CD ARG A 53 3.291 15.864 -0.572 1.00 0.00 C ATOM 807 NE ARG A 53 4.615 15.251 -0.818 1.00 0.00 N ATOM 808 CZ ARG A 53 5.529 15.751 -1.660 1.00 0.00 C ATOM 809 NH1 ARG A 53 5.268 16.875 -2.342 1.00 0.00 N ATOM 810 NH2 ARG A 53 6.704 15.127 -1.821 1.00 0.00 N ATOM 0 H ARG A 53 -1.401 14.916 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 53 0.642 13.287 0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.700 15.342 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.802 16.308 0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.866 15.246 1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.687 13.969 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.733 15.932 -1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.415 16.881 -0.200 1.00 0.00 H new ATOM 0 HE ARG A 53 4.846 14.394 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.373 17.350 -2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.964 17.256 -2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.902 14.271 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.400 15.508 -2.462 1.00 0.00 H new ATOM 824 N GLN A 54 -0.367 15.705 2.960 1.00 0.00 N ATOM 825 CA GLN A 54 -0.410 16.129 4.349 1.00 0.00 C ATOM 826 C GLN A 54 -0.805 14.957 5.250 1.00 0.00 C ATOM 827 O GLN A 54 -0.175 14.721 6.280 1.00 0.00 O ATOM 828 CB GLN A 54 -1.367 17.308 4.533 1.00 0.00 C ATOM 829 CG GLN A 54 -0.693 18.627 4.148 1.00 0.00 C ATOM 830 CD GLN A 54 0.608 18.826 4.928 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.679 18.625 6.129 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.630 19.230 4.180 1.00 0.00 N ATOM 0 H GLN A 54 -0.830 16.337 2.307 1.00 0.00 H new ATOM 0 HA GLN A 54 0.587 16.464 4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.256 17.158 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.698 17.354 5.571 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.485 18.634 3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.371 19.457 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.502 19.379 3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.542 19.391 4.607 1.00 0.00 H new ATOM 841 N TRP A 55 -1.846 14.253 4.829 1.00 0.00 N ATOM 842 CA TRP A 55 -2.332 13.111 5.585 1.00 0.00 C ATOM 843 C TRP A 55 -1.145 12.186 5.860 1.00 0.00 C ATOM 844 O TRP A 55 -0.853 11.871 7.013 1.00 0.00 O ATOM 845 CB TRP A 55 -3.476 12.413 4.847 1.00 0.00 C ATOM 846 CG TRP A 55 -4.127 11.278 5.641 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.132 11.359 6.524 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.775 9.879 5.588 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.452 10.120 7.041 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.600 9.192 6.454 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.791 9.217 4.832 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.527 7.807 6.647 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.730 7.833 5.037 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.554 7.126 5.905 1.00 0.00 C ATOM 0 H TRP A 55 -2.366 14.451 3.974 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.752 13.430 6.539 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.238 13.151 4.597 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.098 12.014 3.906 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.629 12.278 6.797 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.180 9.922 7.728 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.135 9.735 4.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.185 7.292 7.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.990 7.276 4.481 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.444 6.056 6.007 1.00 0.00 H new ATOM 865 N MET A 56 -0.492 11.777 4.782 1.00 0.00 N ATOM 866 CA MET A 56 0.657 10.894 4.893 1.00 0.00 C ATOM 867 C MET A 56 1.641 11.405 5.948 1.00 0.00 C ATOM 868 O MET A 56 2.042 10.659 6.839 1.00 0.00 O ATOM 869 CB MET A 56 1.363 10.803 3.538 1.00 0.00 C ATOM 870 CG MET A 56 2.532 9.818 3.595 1.00 0.00 C ATOM 871 SD MET A 56 4.071 10.706 3.762 1.00 0.00 S ATOM 872 CE MET A 56 4.094 11.581 2.206 1.00 0.00 C ATOM 0 H MET A 56 -0.737 12.041 3.828 1.00 0.00 H new ATOM 0 HA MET A 56 0.306 9.908 5.197 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.653 10.486 2.774 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.727 11.788 3.246 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.403 9.136 4.436 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.550 9.210 2.691 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.122 11.833 1.945 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.667 10.950 1.427 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.507 12.495 2.294 1.00 0.00 H new ATOM 882 N TYR A 57 2.000 12.673 5.811 1.00 0.00 N ATOM 883 CA TYR A 57 2.929 13.291 6.742 1.00 0.00 C ATOM 884 C TYR A 57 2.431 13.160 8.182 1.00 0.00 C ATOM 885 O TYR A 57 3.195 13.355 9.127 1.00 0.00 O ATOM 886 CB TYR A 57 2.979 14.773 6.365 1.00 0.00 C ATOM 887 CG TYR A 57 3.921 15.089 5.202 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.086 14.175 4.181 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.605 16.287 5.173 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.973 14.472 3.086 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.492 16.583 4.078 1.00 0.00 C ATOM 892 CZ TYR A 57 5.632 15.661 3.088 1.00 0.00 C ATOM 893 OH TYR A 57 6.470 15.941 2.054 1.00 0.00 O ATOM 0 H TYR A 57 1.665 13.289 5.070 1.00 0.00 H new ATOM 0 HA TYR A 57 3.906 12.811 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.974 15.105 6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.289 15.349 7.237 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.550 13.238 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.475 17.003 5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.112 13.766 2.281 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.034 17.516 4.044 1.00 0.00 H new ATOM 0 HH TYR A 57 6.871 16.825 2.188 1.00 0.00 H new ATOM 903 N LYS A 58 1.154 12.829 8.306 1.00 0.00 N ATOM 904 CA LYS A 58 0.546 12.670 9.615 1.00 0.00 C ATOM 905 C LYS A 58 0.448 11.180 9.949 1.00 0.00 C ATOM 906 O LYS A 58 0.263 10.810 11.108 1.00 0.00 O ATOM 907 CB LYS A 58 -0.796 13.402 9.676 1.00 0.00 C ATOM 908 CG LYS A 58 -0.627 14.885 9.340 1.00 0.00 C ATOM 909 CD LYS A 58 -1.420 15.761 10.311 1.00 0.00 C ATOM 910 CE LYS A 58 -1.722 17.129 9.695 1.00 0.00 C ATOM 911 NZ LYS A 58 -0.839 18.165 10.275 1.00 0.00 N ATOM 0 H LYS A 58 0.524 12.667 7.521 1.00 0.00 H new ATOM 0 HA LYS A 58 1.169 13.130 10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.496 12.944 8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.226 13.298 10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.429 15.153 9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.963 15.071 8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.353 15.264 10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.855 15.891 11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.582 17.087 8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.765 17.392 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.057 19.087 9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.992 18.216 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.154 17.921 10.085 1.00 0.00 H new ATOM 925 N ASN A 59 0.578 10.364 8.913 1.00 0.00 N ATOM 926 CA ASN A 59 0.508 8.922 9.082 1.00 0.00 C ATOM 927 C ASN A 59 1.882 8.312 8.799 1.00 0.00 C ATOM 928 O ASN A 59 1.982 7.281 8.136 1.00 0.00 O ATOM 929 CB ASN A 59 -0.495 8.302 8.108 1.00 0.00 C ATOM 930 CG ASN A 59 -1.913 8.806 8.385 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.850 8.042 8.549 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.018 10.131 8.428 1.00 0.00 N ATOM 0 H ASN A 59 0.731 10.674 7.953 1.00 0.00 H new ATOM 0 HA ASN A 59 0.191 8.717 10.105 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.212 8.547 7.084 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.468 7.216 8.195 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.923 10.565 8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.193 10.713 8.282 1.00 0.00 H new ATOM 939 N VAL A 60 2.906 8.975 9.316 1.00 0.00 N ATOM 940 CA VAL A 60 4.270 8.510 9.127 1.00 0.00 C ATOM 941 C VAL A 60 5.146 9.037 10.266 1.00 0.00 C ATOM 942 O VAL A 60 5.340 10.244 10.397 1.00 0.00 O ATOM 943 CB VAL A 60 4.776 8.922 7.743 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.261 8.591 7.582 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.944 8.268 6.638 1.00 0.00 C ATOM 0 H VAL A 60 2.819 9.830 9.865 1.00 0.00 H new ATOM 0 HA VAL A 60 4.311 7.421 9.162 1.00 0.00 H new ATOM 0 HB VAL A 60 4.662 10.002 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.596 8.894 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.837 9.125 8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.410 7.518 7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.325 8.577 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.011 7.184 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.903 8.576 6.735 1.00 0.00 H new ATOM 955 N PRO A 61 5.665 8.080 11.081 1.00 0.00 N ATOM 956 CA PRO A 61 6.516 8.436 12.204 1.00 0.00 C ATOM 957 C PRO A 61 7.913 8.837 11.728 1.00 0.00 C ATOM 958 O PRO A 61 8.252 8.652 10.560 1.00 0.00 O ATOM 959 CB PRO A 61 6.523 7.206 13.097 1.00 0.00 C ATOM 960 CG PRO A 61 6.060 6.052 12.221 1.00 0.00 C ATOM 961 CD PRO A 61 5.457 6.641 10.956 1.00 0.00 C ATOM 0 HA PRO A 61 6.151 9.306 12.749 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.520 7.018 13.495 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.859 7.339 13.951 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.897 5.398 11.976 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.324 5.444 12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.944 6.247 10.064 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.397 6.400 10.873 1.00 0.00 H new ATOM 969 N PRO A 62 8.707 9.395 12.681 1.00 0.00 N ATOM 970 CA PRO A 62 10.060 9.824 12.371 1.00 0.00 C ATOM 971 C PRO A 62 11.000 8.624 12.241 1.00 0.00 C ATOM 972 O PRO A 62 11.985 8.679 11.506 1.00 0.00 O ATOM 973 CB PRO A 62 10.446 10.760 13.504 1.00 0.00 C ATOM 974 CG PRO A 62 9.481 10.459 14.640 1.00 0.00 C ATOM 975 CD PRO A 62 8.339 9.630 14.074 1.00 0.00 C ATOM 0 HA PRO A 62 10.129 10.334 11.410 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.478 10.594 13.814 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.370 11.802 13.193 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.988 9.916 15.438 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.102 11.384 15.075 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.224 8.692 14.617 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.390 10.160 14.149 1.00 0.00 H new ATOM 983 N GLU A 63 10.662 7.567 12.965 1.00 0.00 N ATOM 984 CA GLU A 63 11.464 6.356 12.940 1.00 0.00 C ATOM 985 C GLU A 63 11.279 5.624 11.608 1.00 0.00 C ATOM 986 O GLU A 63 12.008 4.681 11.308 1.00 0.00 O ATOM 987 CB GLU A 63 11.117 5.444 14.119 1.00 0.00 C ATOM 988 CG GLU A 63 9.960 4.507 13.766 1.00 0.00 C ATOM 989 CD GLU A 63 9.401 3.830 15.019 1.00 0.00 C ATOM 990 OE1 GLU A 63 10.135 2.992 15.586 1.00 0.00 O ATOM 991 OE2 GLU A 63 8.253 4.165 15.381 1.00 0.00 O ATOM 0 H GLU A 63 9.844 7.524 13.572 1.00 0.00 H new ATOM 0 HA GLU A 63 12.513 6.636 13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.992 4.858 14.399 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.848 6.049 14.985 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.170 5.070 13.269 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.303 3.749 13.061 1.00 0.00 H new ATOM 998 N LYS A 64 10.299 6.088 10.846 1.00 0.00 N ATOM 999 CA LYS A 64 10.009 5.490 9.554 1.00 0.00 C ATOM 1000 C LYS A 64 10.393 6.472 8.445 1.00 0.00 C ATOM 1001 O LYS A 64 10.700 6.061 7.327 1.00 0.00 O ATOM 1002 CB LYS A 64 8.551 5.030 9.492 1.00 0.00 C ATOM 1003 CG LYS A 64 8.274 3.943 10.532 1.00 0.00 C ATOM 1004 CD LYS A 64 9.063 2.671 10.219 1.00 0.00 C ATOM 1005 CE LYS A 64 8.436 1.454 10.902 1.00 0.00 C ATOM 1006 NZ LYS A 64 9.471 0.443 11.213 1.00 0.00 N ATOM 0 H LYS A 64 9.696 6.871 11.099 1.00 0.00 H new ATOM 0 HA LYS A 64 10.608 4.592 9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.890 5.880 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.328 4.650 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.542 4.307 11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.208 3.718 10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.092 2.513 9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.094 2.788 10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.934 1.763 11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.676 1.017 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.028 -0.376 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.932 0.136 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.182 0.858 11.849 1.00 0.00 H new ATOM 1020 N LYS A 65 10.362 7.750 8.793 1.00 0.00 N ATOM 1021 CA LYS A 65 10.702 8.793 7.841 1.00 0.00 C ATOM 1022 C LYS A 65 11.899 8.341 7.002 1.00 0.00 C ATOM 1023 O LYS A 65 12.979 8.095 7.537 1.00 0.00 O ATOM 1024 CB LYS A 65 10.924 10.124 8.561 1.00 0.00 C ATOM 1025 CG LYS A 65 9.610 10.897 8.703 1.00 0.00 C ATOM 1026 CD LYS A 65 9.832 12.230 9.420 1.00 0.00 C ATOM 1027 CE LYS A 65 8.641 12.575 10.315 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.870 13.863 11.008 1.00 0.00 N ATOM 0 H LYS A 65 10.107 8.087 9.721 1.00 0.00 H new ATOM 0 HA LYS A 65 9.875 8.964 7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.351 9.941 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.646 10.725 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.182 11.077 7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.889 10.297 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.740 12.177 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.981 13.022 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.733 12.634 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.488 11.783 11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.052 14.083 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.725 13.794 11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.994 14.619 10.304 1.00 0.00 H new ATOM 1042 N PRO A 66 11.661 8.244 5.667 1.00 0.00 N ATOM 1043 CA PRO A 66 12.707 7.826 4.749 1.00 0.00 C ATOM 1044 C PRO A 66 13.719 8.951 4.521 1.00 0.00 C ATOM 1045 O PRO A 66 13.504 10.081 4.956 1.00 0.00 O ATOM 1046 CB PRO A 66 11.977 7.418 3.479 1.00 0.00 C ATOM 1047 CG PRO A 66 10.601 8.057 3.567 1.00 0.00 C ATOM 1048 CD PRO A 66 10.395 8.527 4.998 1.00 0.00 C ATOM 0 HA PRO A 66 13.299 6.997 5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.512 7.762 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.900 6.333 3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.525 8.896 2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.829 7.341 3.286 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.156 9.590 5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.569 7.998 5.473 1.00 0.00 H new ATOM 1056 N THR A 67 14.801 8.602 3.841 1.00 0.00 N ATOM 1057 CA THR A 67 15.846 9.568 3.550 1.00 0.00 C ATOM 1058 C THR A 67 16.005 10.548 4.714 1.00 0.00 C ATOM 1059 O THR A 67 16.561 10.198 5.754 1.00 0.00 O ATOM 1060 CB THR A 67 15.505 10.250 2.224 1.00 0.00 C ATOM 1061 OG1 THR A 67 15.553 9.194 1.268 1.00 0.00 O ATOM 1062 CG2 THR A 67 16.597 11.218 1.765 1.00 0.00 C ATOM 0 H THR A 67 14.977 7.663 3.483 1.00 0.00 H new ATOM 0 HA THR A 67 16.815 9.081 3.441 1.00 0.00 H new ATOM 0 HB THR A 67 14.562 10.788 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.342 9.548 0.379 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.305 11.675 0.819 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.733 11.996 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.532 10.675 1.632 1.00 0.00 H new ATOM 1070 N GLN A 68 15.506 11.757 4.500 1.00 0.00 N ATOM 1071 CA GLN A 68 15.585 12.790 5.519 1.00 0.00 C ATOM 1072 C GLN A 68 14.432 13.783 5.358 1.00 0.00 C ATOM 1073 O GLN A 68 13.815 13.857 4.297 1.00 0.00 O ATOM 1074 CB GLN A 68 16.936 13.506 5.470 1.00 0.00 C ATOM 1075 CG GLN A 68 18.085 12.525 5.710 1.00 0.00 C ATOM 1076 CD GLN A 68 17.991 11.902 7.105 1.00 0.00 C ATOM 1077 OE1 GLN A 68 17.412 12.457 8.024 1.00 0.00 O ATOM 1078 NE2 GLN A 68 18.590 10.719 7.210 1.00 0.00 N ATOM 0 H GLN A 68 15.046 12.044 3.636 1.00 0.00 H new ATOM 0 HA GLN A 68 15.497 12.316 6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 68 17.061 13.988 4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.962 14.293 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 68 18.061 11.740 4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 68 19.038 13.042 5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 68 19.057 10.310 6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.582 10.221 8.100 1.00 0.00 H new ATOM 1087 N GLY A 69 14.176 14.522 6.428 1.00 0.00 N ATOM 1088 CA GLY A 69 13.108 15.507 6.419 1.00 0.00 C ATOM 1089 C GLY A 69 11.738 14.831 6.330 1.00 0.00 C ATOM 1090 O GLY A 69 11.595 13.662 6.687 1.00 0.00 O ATOM 0 H GLY A 69 14.690 14.458 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.160 16.113 7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.239 16.183 5.574 1.00 0.00 H new ATOM 1094 N ASN A 70 10.767 15.594 5.852 1.00 0.00 N ATOM 1095 CA ASN A 70 9.414 15.083 5.712 1.00 0.00 C ATOM 1096 C ASN A 70 9.453 13.743 4.974 1.00 0.00 C ATOM 1097 O ASN A 70 10.428 13.436 4.289 1.00 0.00 O ATOM 1098 CB ASN A 70 8.543 16.044 4.900 1.00 0.00 C ATOM 1099 CG ASN A 70 9.314 16.604 3.703 1.00 0.00 C ATOM 1100 OD1 ASN A 70 10.079 15.916 3.048 1.00 0.00 O ATOM 1101 ND2 ASN A 70 9.070 17.887 3.454 1.00 0.00 N ATOM 0 H ASN A 70 10.890 16.563 5.557 1.00 0.00 H new ATOM 0 HA ASN A 70 8.992 14.970 6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.650 15.525 4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.208 16.863 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.535 18.353 2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.418 18.406 4.042 1.00 0.00 H new ATOM 1108 N PRO A 71 8.354 12.961 5.144 1.00 0.00 N ATOM 1109 CA PRO A 71 8.253 11.662 4.502 1.00 0.00 C ATOM 1110 C PRO A 71 7.961 11.809 3.007 1.00 0.00 C ATOM 1111 O PRO A 71 7.061 12.552 2.618 1.00 0.00 O ATOM 1112 CB PRO A 71 7.150 10.935 5.254 1.00 0.00 C ATOM 1113 CG PRO A 71 6.361 12.013 5.979 1.00 0.00 C ATOM 1114 CD PRO A 71 7.181 13.292 5.948 1.00 0.00 C ATOM 0 HA PRO A 71 9.185 11.098 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.511 10.378 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.566 10.215 5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.395 12.167 5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.161 11.713 7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.617 14.113 5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.465 13.605 6.953 1.00 0.00 H new ATOM 1122 N LEU A 72 8.738 11.090 2.211 1.00 0.00 N ATOM 1123 CA LEU A 72 8.573 11.132 0.768 1.00 0.00 C ATOM 1124 C LEU A 72 8.031 9.787 0.281 1.00 0.00 C ATOM 1125 O LEU A 72 8.164 8.775 0.968 1.00 0.00 O ATOM 1126 CB LEU A 72 9.881 11.548 0.091 1.00 0.00 C ATOM 1127 CG LEU A 72 10.433 12.920 0.484 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.919 13.032 0.140 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.611 14.044 -0.151 1.00 0.00 C ATOM 0 H LEU A 72 9.483 10.475 2.538 1.00 0.00 H new ATOM 0 HA LEU A 72 7.841 11.891 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.638 10.796 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.728 11.535 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 72 10.344 13.027 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.286 14.017 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.476 12.264 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.055 12.895 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.024 15.008 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.646 13.951 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.577 13.974 0.186 1.00 0.00 H new ATOM 1141 N PRO A 73 7.414 9.820 -0.931 1.00 0.00 N ATOM 1142 CA PRO A 73 6.851 8.615 -1.516 1.00 0.00 C ATOM 1143 C PRO A 73 7.952 7.704 -2.063 1.00 0.00 C ATOM 1144 O PRO A 73 9.111 8.108 -2.148 1.00 0.00 O ATOM 1145 CB PRO A 73 5.900 9.110 -2.594 1.00 0.00 C ATOM 1146 CG PRO A 73 6.312 10.544 -2.887 1.00 0.00 C ATOM 1147 CD PRO A 73 7.238 11.000 -1.772 1.00 0.00 C ATOM 0 HA PRO A 73 6.322 8.001 -0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.970 8.493 -3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.865 9.063 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.816 10.607 -3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.435 11.189 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.191 11.350 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.803 11.826 -1.209 1.00 0.00 H new ATOM 1155 N PRO A 74 7.540 6.461 -2.428 1.00 0.00 N ATOM 1156 CA PRO A 74 6.149 6.063 -2.294 1.00 0.00 C ATOM 1157 C PRO A 74 5.795 5.789 -0.831 1.00 0.00 C ATOM 1158 O PRO A 74 6.681 5.585 -0.002 1.00 0.00 O ATOM 1159 CB PRO A 74 6.003 4.837 -3.180 1.00 0.00 C ATOM 1160 CG PRO A 74 7.413 4.319 -3.411 1.00 0.00 C ATOM 1161 CD PRO A 74 8.385 5.404 -2.975 1.00 0.00 C ATOM 0 HA PRO A 74 5.456 6.846 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.383 4.080 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.521 5.092 -4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.582 3.404 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.562 4.073 -4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.086 5.031 -2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.977 5.766 -3.815 1.00 0.00 H new ATOM 1169 N GLN A 75 4.499 5.792 -0.558 1.00 0.00 N ATOM 1170 CA GLN A 75 4.017 5.546 0.791 1.00 0.00 C ATOM 1171 C GLN A 75 2.754 4.685 0.754 1.00 0.00 C ATOM 1172 O GLN A 75 1.644 5.198 0.890 1.00 0.00 O ATOM 1173 CB GLN A 75 3.764 6.861 1.531 1.00 0.00 C ATOM 1174 CG GLN A 75 5.079 7.579 1.840 1.00 0.00 C ATOM 1175 CD GLN A 75 5.514 7.328 3.286 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.727 6.961 4.143 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.807 7.547 3.507 1.00 0.00 N ATOM 0 H GLN A 75 3.767 5.961 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 75 4.787 5.002 1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.127 7.506 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.227 6.663 2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.855 7.233 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.961 8.650 1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.410 7.853 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.196 7.409 4.440 1.00 0.00 H new ATOM 1186 N ILE A 76 2.964 3.389 0.571 1.00 0.00 N ATOM 1187 CA ILE A 76 1.855 2.452 0.515 1.00 0.00 C ATOM 1188 C ILE A 76 0.963 2.650 1.742 1.00 0.00 C ATOM 1189 O ILE A 76 1.459 2.790 2.859 1.00 0.00 O ATOM 1190 CB ILE A 76 2.371 1.021 0.354 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.113 0.851 -0.973 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.236 0.007 0.510 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.627 0.811 -0.754 1.00 0.00 C ATOM 0 H ILE A 76 3.886 2.966 0.460 1.00 0.00 H new ATOM 0 HA ILE A 76 1.237 2.644 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 76 3.088 0.826 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.788 -0.068 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.860 1.673 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.631 -1.002 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.791 0.108 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.476 0.191 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.130 0.689 -1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.952 1.742 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.879 -0.027 -0.104 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.338 2.656 1.493 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.305 2.834 2.563 1.00 0.00 C ATOM 1207 C PHE A 77 -2.589 2.053 2.279 1.00 0.00 C ATOM 1208 O PHE A 77 -3.372 2.433 1.409 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.633 4.327 2.625 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.701 5.133 3.532 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.672 4.884 4.869 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.098 6.097 3.002 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.193 5.632 5.711 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.963 6.845 3.844 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.992 6.596 5.181 1.00 0.00 C ATOM 0 H PHE A 77 -0.746 2.540 0.565 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.891 2.469 3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.589 4.740 1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.658 4.449 2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.306 4.118 5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.075 6.294 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.216 5.435 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.597 7.611 3.423 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.650 7.164 5.822 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.766 0.975 3.028 1.00 0.00 N ATOM 1226 CA ASN A 78 -3.942 0.136 2.868 1.00 0.00 C ATOM 1227 C ASN A 78 -5.121 0.772 3.607 1.00 0.00 C ATOM 1228 O ASN A 78 -5.341 0.497 4.785 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.710 -1.256 3.458 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.822 -2.221 3.040 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.003 -1.929 3.142 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.381 -3.382 2.566 1.00 0.00 N ATOM 0 H ASN A 78 -2.114 0.663 3.748 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.149 0.046 1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.746 -1.640 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.669 -1.192 4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.045 -4.093 2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.379 -3.561 2.508 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.848 1.611 2.883 1.00 0.00 N ATOM 1240 CA GLY A 79 -6.999 2.289 3.455 1.00 0.00 C ATOM 1241 C GLY A 79 -6.563 3.459 4.339 1.00 0.00 C ATOM 1242 O GLY A 79 -6.390 4.576 3.855 1.00 0.00 O ATOM 0 H GLY A 79 -5.662 1.836 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.645 2.653 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.586 1.583 4.043 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.398 3.163 5.620 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.986 4.176 6.576 1.00 0.00 C ATOM 1248 C ASP A 80 -4.936 3.585 7.518 1.00 0.00 C ATOM 1249 O ASP A 80 -4.621 4.175 8.551 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.169 4.649 7.422 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.842 3.558 8.259 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.332 2.418 8.220 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -8.850 3.890 8.918 1.00 0.00 O ATOM 0 H ASP A 80 -6.542 2.235 6.018 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.582 5.021 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.826 5.439 8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.915 5.092 6.762 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.423 2.427 7.129 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.415 1.750 7.927 1.00 0.00 C ATOM 1260 C ARG A 81 -2.041 1.878 7.267 1.00 0.00 C ATOM 1261 O ARG A 81 -1.843 1.419 6.143 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.753 0.268 8.100 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.834 -0.107 9.581 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.014 -1.617 9.755 1.00 0.00 C ATOM 1265 NE ARG A 81 -2.726 -2.239 10.135 1.00 0.00 N ATOM 1266 CZ ARG A 81 -2.618 -3.422 10.756 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.719 -4.117 11.071 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -1.408 -3.909 11.063 1.00 0.00 N ATOM 0 H ARG A 81 -4.686 1.941 6.272 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.396 2.224 8.908 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.703 0.049 7.613 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.995 -0.341 7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.927 0.216 10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.667 0.418 10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.764 -1.816 10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.381 -2.057 8.828 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.867 -1.736 9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.640 -3.746 10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.636 -5.017 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.570 -3.380 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.325 -4.809 11.536 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.127 2.505 7.993 1.00 0.00 N ATOM 1283 CA TYR A 82 0.223 2.699 7.491 1.00 0.00 C ATOM 1284 C TYR A 82 0.894 1.358 7.188 1.00 0.00 C ATOM 1285 O TYR A 82 1.191 0.588 8.100 1.00 0.00 O ATOM 1286 CB TYR A 82 0.993 3.399 8.613 1.00 0.00 C ATOM 1287 CG TYR A 82 2.422 3.794 8.235 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.741 4.050 6.917 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.392 3.893 9.212 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.086 4.421 6.561 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.737 4.265 8.856 1.00 0.00 C ATOM 1292 CZ TYR A 82 5.018 4.510 7.548 1.00 0.00 C ATOM 1293 OH TYR A 82 6.288 4.861 7.212 1.00 0.00 O ATOM 0 H TYR A 82 -1.295 2.885 8.925 1.00 0.00 H new ATOM 0 HA TYR A 82 0.209 3.278 6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.447 4.294 8.911 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.027 2.742 9.482 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.982 3.972 6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.142 3.692 10.243 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.349 4.624 5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.505 4.348 9.611 1.00 0.00 H new ATOM 0 HH TYR A 82 6.269 5.442 6.423 1.00 0.00 H new ATOM 1303 N CYS A 83 1.113 1.120 5.903 1.00 0.00 N ATOM 1304 CA CYS A 83 1.744 -0.115 5.468 1.00 0.00 C ATOM 1305 C CYS A 83 3.261 0.064 5.553 1.00 0.00 C ATOM 1306 O CYS A 83 3.927 -0.615 6.332 1.00 0.00 O ATOM 1307 CB CYS A 83 1.294 -0.514 4.061 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.387 -1.235 4.122 1.00 0.00 S ATOM 0 H CYS A 83 0.865 1.761 5.149 1.00 0.00 H new ATOM 0 HA CYS A 83 1.439 -0.932 6.122 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.301 0.358 3.407 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.993 -1.235 3.638 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.340 -2.398 4.702 1.00 0.00 H new ATOM 1314 N GLY A 84 3.763 0.983 4.741 1.00 0.00 N ATOM 1315 CA GLY A 84 5.189 1.260 4.715 1.00 0.00 C ATOM 1316 C GLY A 84 5.610 1.838 3.362 1.00 0.00 C ATOM 1317 O GLY A 84 4.882 1.719 2.378 1.00 0.00 O ATOM 0 H GLY A 84 3.207 1.545 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.441 1.963 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.745 0.343 4.912 1.00 0.00 H new ATOM 1321 N ASP A 85 6.784 2.453 3.357 1.00 0.00 N ATOM 1322 CA ASP A 85 7.311 3.050 2.142 1.00 0.00 C ATOM 1323 C ASP A 85 7.998 1.970 1.304 1.00 0.00 C ATOM 1324 O ASP A 85 8.044 0.806 1.702 1.00 0.00 O ATOM 1325 CB ASP A 85 8.346 4.130 2.463 1.00 0.00 C ATOM 1326 CG ASP A 85 9.669 3.609 3.028 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.647 2.491 3.587 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.673 4.340 2.888 1.00 0.00 O ATOM 0 H ASP A 85 7.385 2.551 4.175 1.00 0.00 H new ATOM 0 HA ASP A 85 6.479 3.498 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.554 4.695 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.912 4.827 3.179 1.00 0.00 H new ATOM 1333 N TYR A 86 8.515 2.392 0.160 1.00 0.00 N ATOM 1334 CA TYR A 86 9.197 1.475 -0.737 1.00 0.00 C ATOM 1335 C TYR A 86 10.093 0.510 0.043 1.00 0.00 C ATOM 1336 O TYR A 86 10.093 -0.691 -0.220 1.00 0.00 O ATOM 1337 CB TYR A 86 10.072 2.344 -1.643 1.00 0.00 C ATOM 1338 CG TYR A 86 11.177 1.573 -2.368 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.882 0.854 -3.508 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.468 1.595 -1.881 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.921 0.128 -4.190 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.507 0.869 -2.563 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.183 0.171 -3.684 1.00 0.00 C ATOM 1344 OH TYR A 86 14.164 -0.515 -4.329 1.00 0.00 O ATOM 0 H TYR A 86 8.475 3.357 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 86 8.476 0.879 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.438 2.832 -2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.527 3.133 -1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.871 0.836 -3.889 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.699 2.157 -0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.704 -0.438 -5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.521 0.878 -2.193 1.00 0.00 H new ATOM 0 HH TYR A 86 15.014 -0.393 -3.856 1.00 0.00 H new ATOM 1354 N ASP A 87 10.834 1.072 0.987 1.00 0.00 N ATOM 1355 CA ASP A 87 11.732 0.277 1.806 1.00 0.00 C ATOM 1356 C ASP A 87 10.984 -0.951 2.331 1.00 0.00 C ATOM 1357 O ASP A 87 11.399 -2.084 2.092 1.00 0.00 O ATOM 1358 CB ASP A 87 12.231 1.076 3.012 1.00 0.00 C ATOM 1359 CG ASP A 87 13.728 0.943 3.300 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.177 -0.214 3.446 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.389 2.002 3.368 1.00 0.00 O ATOM 0 H ASP A 87 10.830 2.069 1.203 1.00 0.00 H new ATOM 0 HA ASP A 87 12.582 -0.014 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.999 2.129 2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.677 0.757 3.895 1.00 0.00 H new ATOM 1366 N SER A 88 9.893 -0.684 3.034 1.00 0.00 N ATOM 1367 CA SER A 88 9.083 -1.753 3.594 1.00 0.00 C ATOM 1368 C SER A 88 8.694 -2.744 2.496 1.00 0.00 C ATOM 1369 O SER A 88 8.907 -3.948 2.637 1.00 0.00 O ATOM 1370 CB SER A 88 7.831 -1.196 4.275 1.00 0.00 C ATOM 1371 OG SER A 88 7.670 -1.706 5.595 1.00 0.00 O ATOM 0 H SER A 88 9.551 0.257 3.229 1.00 0.00 H new ATOM 0 HA SER A 88 9.674 -2.271 4.349 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.892 -0.108 4.312 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.953 -1.446 3.680 1.00 0.00 H new ATOM 0 HG SER A 88 6.861 -1.326 5.996 1.00 0.00 H new ATOM 1377 N PHE A 89 8.131 -2.203 1.426 1.00 0.00 N ATOM 1378 CA PHE A 89 7.710 -3.025 0.304 1.00 0.00 C ATOM 1379 C PHE A 89 8.843 -3.943 -0.158 1.00 0.00 C ATOM 1380 O PHE A 89 8.741 -5.164 -0.050 1.00 0.00 O ATOM 1381 CB PHE A 89 7.344 -2.072 -0.836 1.00 0.00 C ATOM 1382 CG PHE A 89 6.908 -2.779 -2.121 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.684 -3.368 -2.192 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.744 -2.818 -3.193 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.279 -4.024 -3.384 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.340 -3.474 -4.385 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.116 -4.063 -4.456 1.00 0.00 C ATOM 0 H PHE A 89 7.956 -1.205 1.312 1.00 0.00 H new ATOM 0 HA PHE A 89 6.867 -3.651 0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.540 -1.416 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.203 -1.438 -1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.020 -3.337 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.716 -2.350 -3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.307 -4.492 -3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.005 -3.506 -5.236 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.809 -4.562 -5.363 1.00 0.00 H new ATOM 1397 N PHE A 90 9.898 -3.320 -0.663 1.00 0.00 N ATOM 1398 CA PHE A 90 11.049 -4.066 -1.142 1.00 0.00 C ATOM 1399 C PHE A 90 11.476 -5.127 -0.126 1.00 0.00 C ATOM 1400 O PHE A 90 11.576 -6.307 -0.460 1.00 0.00 O ATOM 1401 CB PHE A 90 12.189 -3.062 -1.323 1.00 0.00 C ATOM 1402 CG PHE A 90 13.484 -3.679 -1.856 1.00 0.00 C ATOM 1403 CD1 PHE A 90 13.432 -4.687 -2.767 1.00 0.00 C ATOM 1404 CD2 PHE A 90 14.686 -3.220 -1.418 1.00 0.00 C ATOM 1405 CE1 PHE A 90 14.633 -5.261 -3.261 1.00 0.00 C ATOM 1406 CE2 PHE A 90 15.888 -3.793 -1.912 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.836 -4.801 -2.823 1.00 0.00 C ATOM 0 H PHE A 90 9.980 -2.307 -0.751 1.00 0.00 H new ATOM 0 HA PHE A 90 10.802 -4.573 -2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.864 -2.278 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.394 -2.584 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 90 12.477 -5.051 -3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 90 14.727 -2.419 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 90 14.592 -6.062 -3.984 1.00 0.00 H new ATOM 0 HE2 PHE A 90 16.843 -3.428 -1.564 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.750 -5.237 -3.199 1.00 0.00 H new ATOM 1417 N GLU A 91 11.718 -4.669 1.093 1.00 0.00 N ATOM 1418 CA GLU A 91 12.132 -5.564 2.160 1.00 0.00 C ATOM 1419 C GLU A 91 11.218 -6.791 2.209 1.00 0.00 C ATOM 1420 O GLU A 91 11.694 -7.919 2.326 1.00 0.00 O ATOM 1421 CB GLU A 91 12.150 -4.840 3.508 1.00 0.00 C ATOM 1422 CG GLU A 91 13.581 -4.684 4.027 1.00 0.00 C ATOM 1423 CD GLU A 91 14.010 -5.914 4.830 1.00 0.00 C ATOM 1424 OE1 GLU A 91 14.104 -6.994 4.207 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.233 -5.748 6.048 1.00 0.00 O ATOM 0 H GLU A 91 11.635 -3.690 1.366 1.00 0.00 H new ATOM 0 HA GLU A 91 13.148 -5.900 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.688 -3.858 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.555 -5.397 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.262 -4.537 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.650 -3.794 4.653 1.00 0.00 H new ATOM 1432 N SER A 92 9.923 -6.527 2.119 1.00 0.00 N ATOM 1433 CA SER A 92 8.938 -7.596 2.151 1.00 0.00 C ATOM 1434 C SER A 92 8.956 -8.364 0.828 1.00 0.00 C ATOM 1435 O SER A 92 8.548 -9.523 0.774 1.00 0.00 O ATOM 1436 CB SER A 92 7.537 -7.045 2.427 1.00 0.00 C ATOM 1437 OG SER A 92 7.308 -6.844 3.819 1.00 0.00 O ATOM 0 H SER A 92 9.533 -5.589 2.024 1.00 0.00 H new ATOM 0 HA SER A 92 9.198 -8.277 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.408 -6.101 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.791 -7.736 2.033 1.00 0.00 H new ATOM 0 HG SER A 92 7.112 -5.898 3.985 1.00 0.00 H new ATOM 1443 N LYS A 93 9.431 -7.687 -0.206 1.00 0.00 N ATOM 1444 CA LYS A 93 9.507 -8.291 -1.525 1.00 0.00 C ATOM 1445 C LYS A 93 10.483 -9.469 -1.487 1.00 0.00 C ATOM 1446 O LYS A 93 10.181 -10.548 -1.994 1.00 0.00 O ATOM 1447 CB LYS A 93 9.856 -7.238 -2.578 1.00 0.00 C ATOM 1448 CG LYS A 93 9.059 -7.463 -3.865 1.00 0.00 C ATOM 1449 CD LYS A 93 8.575 -6.134 -4.449 1.00 0.00 C ATOM 1450 CE LYS A 93 9.744 -5.171 -4.662 1.00 0.00 C ATOM 1451 NZ LYS A 93 9.823 -4.757 -6.081 1.00 0.00 N ATOM 0 H LYS A 93 9.767 -6.725 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 93 8.536 -8.690 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.646 -6.243 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.923 -7.276 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.680 -7.981 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.204 -8.107 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.069 -6.312 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.845 -5.682 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.620 -4.293 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.677 -5.650 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.415 -3.906 -6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.242 -5.525 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.868 -4.549 -6.436 1.00 0.00 H new ATOM 1465 N GLU A 94 11.635 -9.222 -0.880 1.00 0.00 N ATOM 1466 CA GLU A 94 12.658 -10.248 -0.769 1.00 0.00 C ATOM 1467 C GLU A 94 12.122 -11.447 0.016 1.00 0.00 C ATOM 1468 O GLU A 94 12.574 -12.574 -0.181 1.00 0.00 O ATOM 1469 CB GLU A 94 13.926 -9.690 -0.120 1.00 0.00 C ATOM 1470 CG GLU A 94 14.576 -8.629 -1.011 1.00 0.00 C ATOM 1471 CD GLU A 94 16.092 -8.594 -0.804 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.502 -8.302 0.340 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.806 -8.859 -1.795 1.00 0.00 O ATOM 0 H GLU A 94 11.882 -8.326 -0.460 1.00 0.00 H new ATOM 0 HA GLU A 94 12.921 -10.583 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.682 -9.256 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.632 -10.500 0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.353 -8.841 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.152 -7.650 -0.786 1.00 0.00 H new ATOM 1480 N SER A 95 11.168 -11.164 0.890 1.00 0.00 N ATOM 1481 CA SER A 95 10.567 -12.205 1.706 1.00 0.00 C ATOM 1482 C SER A 95 9.229 -12.637 1.101 1.00 0.00 C ATOM 1483 O SER A 95 8.561 -13.522 1.632 1.00 0.00 O ATOM 1484 CB SER A 95 10.368 -11.730 3.147 1.00 0.00 C ATOM 1485 OG SER A 95 11.486 -12.048 3.972 1.00 0.00 O ATOM 0 H SER A 95 10.796 -10.228 1.051 1.00 0.00 H new ATOM 0 HA SER A 95 11.244 -13.059 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.206 -10.652 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.470 -12.190 3.560 1.00 0.00 H new ATOM 0 HG SER A 95 11.322 -11.727 4.883 1.00 0.00 H new ATOM 1491 N ASN A 96 8.879 -11.992 -0.002 1.00 0.00 N ATOM 1492 CA ASN A 96 7.634 -12.298 -0.685 1.00 0.00 C ATOM 1493 C ASN A 96 6.469 -12.143 0.294 1.00 0.00 C ATOM 1494 O ASN A 96 5.694 -13.077 0.495 1.00 0.00 O ATOM 1495 CB ASN A 96 7.629 -13.739 -1.202 1.00 0.00 C ATOM 1496 CG ASN A 96 8.289 -13.829 -2.579 1.00 0.00 C ATOM 1497 OD1 ASN A 96 7.639 -13.786 -3.611 1.00 0.00 O ATOM 1498 ND2 ASN A 96 9.612 -13.957 -2.538 1.00 0.00 N ATOM 0 H ASN A 96 9.436 -11.258 -0.440 1.00 0.00 H new ATOM 0 HA ASN A 96 7.534 -11.613 -1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.157 -14.383 -0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.604 -14.104 -1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.145 -14.026 -3.405 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.094 -13.986 -1.640 1.00 0.00 H new ATOM 1505 N THR A 97 6.382 -10.957 0.878 1.00 0.00 N ATOM 1506 CA THR A 97 5.324 -10.668 1.831 1.00 0.00 C ATOM 1507 C THR A 97 4.561 -9.409 1.415 1.00 0.00 C ATOM 1508 O THR A 97 3.651 -8.970 2.117 1.00 0.00 O ATOM 1509 CB THR A 97 5.955 -10.565 3.221 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.049 -9.670 3.039 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.614 -11.873 3.663 1.00 0.00 C ATOM 0 H THR A 97 7.027 -10.185 0.710 1.00 0.00 H new ATOM 0 HA THR A 97 4.583 -11.467 1.853 1.00 0.00 H new ATOM 0 HB THR A 97 5.193 -10.280 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.514 -9.544 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.046 -11.745 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.866 -12.666 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.400 -12.141 2.957 1.00 0.00 H new ATOM 1519 N VAL A 98 4.960 -8.863 0.276 1.00 0.00 N ATOM 1520 CA VAL A 98 4.326 -7.663 -0.242 1.00 0.00 C ATOM 1521 C VAL A 98 2.823 -7.725 0.038 1.00 0.00 C ATOM 1522 O VAL A 98 2.259 -6.805 0.630 1.00 0.00 O ATOM 1523 CB VAL A 98 4.651 -7.498 -1.728 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.571 -6.679 -2.438 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.032 -6.869 -1.921 1.00 0.00 C ATOM 0 H VAL A 98 5.715 -9.230 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 98 4.715 -6.778 0.261 1.00 0.00 H new ATOM 0 HB VAL A 98 4.669 -8.490 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.826 -6.577 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.610 -7.185 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.506 -5.691 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.238 -6.763 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.054 -5.887 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.789 -7.508 -1.467 1.00 0.00 H new ATOM 1535 N PHE A 99 2.216 -8.818 -0.401 1.00 0.00 N ATOM 1536 CA PHE A 99 0.789 -9.012 -0.205 1.00 0.00 C ATOM 1537 C PHE A 99 0.392 -8.728 1.245 1.00 0.00 C ATOM 1538 O PHE A 99 -0.526 -7.949 1.500 1.00 0.00 O ATOM 1539 CB PHE A 99 0.489 -10.477 -0.526 1.00 0.00 C ATOM 1540 CG PHE A 99 0.391 -10.778 -2.023 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.510 -11.100 -2.726 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -0.815 -10.725 -2.650 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.419 -11.379 -4.116 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -0.905 -11.004 -4.039 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.213 -11.325 -4.743 1.00 0.00 C ATOM 0 H PHE A 99 2.686 -9.578 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 99 0.229 -8.332 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.269 -11.101 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.449 -10.759 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.467 -11.144 -2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.704 -10.471 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.307 -11.634 -4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.862 -10.961 -4.537 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.144 -11.537 -5.800 1.00 0.00 H new ATOM 1555 N SER A 100 1.101 -9.376 2.158 1.00 0.00 N ATOM 1556 CA SER A 100 0.834 -9.203 3.575 1.00 0.00 C ATOM 1557 C SER A 100 1.236 -7.794 4.016 1.00 0.00 C ATOM 1558 O SER A 100 0.496 -7.132 4.742 1.00 0.00 O ATOM 1559 CB SER A 100 1.575 -10.251 4.407 1.00 0.00 C ATOM 1560 OG SER A 100 0.702 -11.274 4.879 1.00 0.00 O ATOM 0 H SER A 100 1.861 -10.022 1.943 1.00 0.00 H new ATOM 0 HA SER A 100 -0.235 -9.337 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.366 -10.699 3.805 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.057 -9.766 5.256 1.00 0.00 H new ATOM 0 HG SER A 100 1.214 -11.924 5.404 1.00 0.00 H new ATOM 1566 N PHE A 101 2.407 -7.377 3.558 1.00 0.00 N ATOM 1567 CA PHE A 101 2.916 -6.059 3.895 1.00 0.00 C ATOM 1568 C PHE A 101 1.843 -4.987 3.692 1.00 0.00 C ATOM 1569 O PHE A 101 1.755 -4.037 4.467 1.00 0.00 O ATOM 1570 CB PHE A 101 4.087 -5.776 2.952 1.00 0.00 C ATOM 1571 CG PHE A 101 4.345 -4.288 2.708 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.451 -3.435 3.761 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.468 -3.819 1.437 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.690 -2.053 3.535 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.707 -2.437 1.211 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.813 -1.584 2.264 1.00 0.00 C ATOM 0 H PHE A 101 3.018 -7.929 2.956 1.00 0.00 H new ATOM 0 HA PHE A 101 3.221 -6.036 4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.989 -6.228 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.895 -6.262 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.353 -3.808 4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.384 -4.497 0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.774 -1.375 4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.805 -2.064 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.995 -0.534 2.092 1.00 0.00 H new ATOM 1586 N LEU A 102 1.054 -5.178 2.644 1.00 0.00 N ATOM 1587 CA LEU A 102 -0.010 -4.240 2.329 1.00 0.00 C ATOM 1588 C LEU A 102 -1.246 -4.576 3.166 1.00 0.00 C ATOM 1589 O LEU A 102 -2.058 -3.701 3.460 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.275 -4.217 0.822 1.00 0.00 C ATOM 1591 CG LEU A 102 0.961 -4.271 -0.077 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.739 -5.216 -1.259 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.369 -2.869 -0.533 1.00 0.00 C ATOM 0 H LEU A 102 1.131 -5.968 2.003 1.00 0.00 H new ATOM 0 HA LEU A 102 0.287 -3.225 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.918 -5.061 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.833 -3.311 0.585 1.00 0.00 H new ATOM 0 HG LEU A 102 1.789 -4.674 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.633 -5.236 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.533 -6.220 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.108 -4.867 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.250 -2.936 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.550 -2.415 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.597 -2.255 0.338 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.349 -5.847 3.525 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.472 -6.311 4.322 1.00 0.00 C ATOM 1607 C GLY A 103 -3.390 -7.219 3.501 1.00 0.00 C ATOM 1608 O GLY A 103 -4.601 -7.240 3.714 1.00 0.00 O ATOM 0 H GLY A 103 -0.673 -6.570 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.105 -6.852 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.037 -5.456 4.693 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.777 -7.948 2.580 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.523 -8.856 1.726 1.00 0.00 C ATOM 1614 C LEU A 104 -3.376 -10.284 2.255 1.00 0.00 C ATOM 1615 O LEU A 104 -2.265 -10.740 2.520 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.094 -8.694 0.266 1.00 0.00 C ATOM 1617 CG LEU A 104 -3.044 -7.259 -0.263 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.231 -7.180 -1.556 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.453 -6.689 -0.436 1.00 0.00 C ATOM 0 H LEU A 104 -1.772 -7.928 2.407 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.586 -8.614 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.106 -9.139 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.779 -9.267 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.535 -6.640 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.211 -6.150 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.212 -7.518 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.689 -7.816 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.389 -5.668 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.009 -7.303 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.966 -6.689 0.526 1.00 0.00 H new ATOM 1631 N LYS A 105 -4.513 -10.950 2.393 1.00 0.00 N ATOM 1632 CA LYS A 105 -4.525 -12.317 2.886 1.00 0.00 C ATOM 1633 C LYS A 105 -4.056 -12.333 4.343 1.00 0.00 C ATOM 1634 O LYS A 105 -2.932 -11.935 4.641 1.00 0.00 O ATOM 1635 CB LYS A 105 -3.706 -13.225 1.967 1.00 0.00 C ATOM 1636 CG LYS A 105 -2.512 -13.826 2.711 1.00 0.00 C ATOM 1637 CD LYS A 105 -1.787 -14.857 1.843 1.00 0.00 C ATOM 1638 CE LYS A 105 -1.704 -16.210 2.553 1.00 0.00 C ATOM 1639 NZ LYS A 105 -2.636 -17.178 1.933 1.00 0.00 N ATOM 0 H LYS A 105 -5.433 -10.568 2.172 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.538 -12.718 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.339 -14.025 1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.354 -12.655 1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.820 -13.033 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.853 -14.297 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.311 -14.972 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -0.783 -14.501 1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.685 -16.593 2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.945 -16.089 3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.567 -18.091 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.609 -16.818 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.388 -17.306 0.931 1.00 0.00 H new ATOM 1653 N SER A 106 -4.943 -12.798 5.211 1.00 0.00 N ATOM 1654 CA SER A 106 -4.634 -12.872 6.629 1.00 0.00 C ATOM 1655 C SER A 106 -5.844 -13.403 7.401 1.00 0.00 C ATOM 1656 O SER A 106 -6.520 -12.648 8.097 1.00 0.00 O ATOM 1657 CB SER A 106 -4.215 -11.505 7.173 1.00 0.00 C ATOM 1658 OG SER A 106 -2.800 -11.388 7.293 1.00 0.00 O ATOM 0 H SER A 106 -5.875 -13.127 4.960 1.00 0.00 H new ATOM 0 HA SER A 106 -3.797 -13.558 6.762 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.589 -10.722 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.676 -11.346 8.148 1.00 0.00 H new ATOM 0 HG SER A 106 -2.382 -11.571 6.426 1.00 0.00 H new ATOM 1664 N GLY A 107 -6.079 -14.698 7.252 1.00 0.00 N ATOM 1665 CA GLY A 107 -7.195 -15.339 7.926 1.00 0.00 C ATOM 1666 C GLY A 107 -8.526 -14.929 7.293 1.00 0.00 C ATOM 1667 O GLY A 107 -8.580 -14.601 6.109 1.00 0.00 O ATOM 0 H GLY A 107 -5.515 -15.321 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.082 -16.422 7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.191 -15.068 8.982 1.00 0.00 H new ATOM 1671 N PRO A 108 -9.596 -14.962 8.132 1.00 0.00 N ATOM 1672 CA PRO A 108 -10.923 -14.599 7.667 1.00 0.00 C ATOM 1673 C PRO A 108 -11.052 -13.083 7.507 1.00 0.00 C ATOM 1674 O PRO A 108 -11.637 -12.413 8.357 1.00 0.00 O ATOM 1675 CB PRO A 108 -11.874 -15.169 8.707 1.00 0.00 C ATOM 1676 CG PRO A 108 -11.033 -15.424 9.947 1.00 0.00 C ATOM 1677 CD PRO A 108 -9.570 -15.346 9.541 1.00 0.00 C ATOM 0 HA PRO A 108 -11.147 -15.001 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -12.683 -14.470 8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -12.335 -16.091 8.351 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -11.255 -14.686 10.718 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.261 -16.403 10.368 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -9.031 -14.613 10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.069 -16.304 9.681 1.00 0.00 H new ATOM 1685 N SER A 109 -10.497 -12.586 6.411 1.00 0.00 N ATOM 1686 CA SER A 109 -10.542 -11.162 6.129 1.00 0.00 C ATOM 1687 C SER A 109 -11.679 -10.858 5.150 1.00 0.00 C ATOM 1688 O SER A 109 -11.973 -11.661 4.267 1.00 0.00 O ATOM 1689 CB SER A 109 -9.209 -10.670 5.563 1.00 0.00 C ATOM 1690 OG SER A 109 -8.986 -11.139 4.236 1.00 0.00 O ATOM 0 H SER A 109 -10.014 -13.145 5.708 1.00 0.00 H new ATOM 0 HA SER A 109 -10.725 -10.634 7.065 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.193 -9.580 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.396 -11.005 6.207 1.00 0.00 H new ATOM 0 HG SER A 109 -8.126 -10.802 3.910 1.00 0.00 H new ATOM 1696 N SER A 110 -12.286 -9.696 5.341 1.00 0.00 N ATOM 1697 CA SER A 110 -13.384 -9.277 4.486 1.00 0.00 C ATOM 1698 C SER A 110 -14.410 -10.405 4.361 1.00 0.00 C ATOM 1699 O SER A 110 -14.261 -11.295 3.525 1.00 0.00 O ATOM 1700 CB SER A 110 -12.878 -8.864 3.103 1.00 0.00 C ATOM 1701 OG SER A 110 -11.988 -7.753 3.170 1.00 0.00 O ATOM 0 H SER A 110 -12.039 -9.032 6.075 1.00 0.00 H new ATOM 0 HA SER A 110 -13.861 -8.410 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.370 -9.708 2.636 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.726 -8.611 2.467 1.00 0.00 H new ATOM 0 HG SER A 110 -11.686 -7.521 2.267 1.00 0.00 H new ATOM 1707 N GLY A 111 -15.430 -10.330 5.204 1.00 0.00 N ATOM 1708 CA GLY A 111 -16.481 -11.334 5.198 1.00 0.00 C ATOM 1709 C GLY A 111 -16.273 -12.352 6.321 1.00 0.00 C ATOM 1710 O GLY A 111 -15.882 -13.490 6.068 1.00 0.00 O ATOM 0 H GLY A 111 -15.551 -9.590 5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -17.451 -10.851 5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.494 -11.846 4.236 1.00 0.00 H new TER 1714 GLY A 111