USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 705 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 3 ASN : amide:sc= -1.75 X(o=-2.1,f=-2.5!) USER MOD Set 1.2: A 45 TYR OH : rot 165:sc= -0.347 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.392 F(o=-1.7,f=-0.39) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.382 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 21 GLN : amide:sc= -5.49! C(o=-5.5!,f=-7.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.38) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 57 THR OG1 : rot 90:sc= 0.241 USER MOD Single : A 59 SER OG : rot -160:sc= 0.377 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc=-0.000185 (180deg=-0.105) USER MOD Single : A 65 HIS : no HD1:sc= -2.92 X(o=-2.9,f=-3.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -124:sc= -0.469 (180deg=-3.09!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -82:sc= 0.84 USER MOD Single : A 76 SER OG : rot 155:sc= 0.894 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 33:sc= 0.48 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 21.480 -2.668 5.067 1.00 0.00 N ATOM 2 CA GLY A -5 21.172 -3.065 6.428 1.00 0.00 C ATOM 3 C GLY A -5 19.699 -2.921 6.755 1.00 0.00 C ATOM 4 O GLY A -5 18.841 -3.393 6.010 1.00 0.00 O ATOM 0 H1 GLY A -5 22.499 -2.785 4.893 1.00 0.00 H new ATOM 0 H2 GLY A -5 20.945 -3.263 4.402 1.00 0.00 H new ATOM 0 H3 GLY A -5 21.217 -1.671 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A -5 21.475 -4.101 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A -5 21.756 -2.459 7.121 1.00 0.00 H new ATOM 8 N SER A -4 19.406 -2.266 7.875 1.00 0.00 N ATOM 9 CA SER A -4 18.026 -2.066 8.303 1.00 0.00 C ATOM 10 C SER A -4 17.603 -0.613 8.107 1.00 0.00 C ATOM 11 O SER A -4 16.656 -0.324 7.374 1.00 0.00 O ATOM 12 CB SER A -4 17.863 -2.462 9.772 1.00 0.00 C ATOM 13 OG SER A -4 17.917 -3.870 9.928 1.00 0.00 O ATOM 0 H SER A -4 20.105 -1.866 8.501 1.00 0.00 H new ATOM 0 HA SER A -4 17.385 -2.700 7.690 1.00 0.00 H new ATOM 0 HB2 SER A -4 18.649 -1.996 10.367 1.00 0.00 H new ATOM 0 HB3 SER A -4 16.912 -2.087 10.150 1.00 0.00 H new ATOM 0 HG SER A -4 17.812 -4.098 10.875 1.00 0.00 H new ATOM 19 N SER A -3 18.311 0.297 8.766 1.00 0.00 N ATOM 20 CA SER A -3 18.008 1.721 8.669 1.00 0.00 C ATOM 21 C SER A -3 18.402 2.267 7.299 1.00 0.00 C ATOM 22 O SER A -3 19.400 1.848 6.716 1.00 0.00 O ATOM 23 CB SER A -3 18.735 2.496 9.769 1.00 0.00 C ATOM 24 OG SER A -3 18.346 2.043 11.054 1.00 0.00 O ATOM 0 H SER A -3 19.099 0.074 9.374 1.00 0.00 H new ATOM 0 HA SER A -3 16.933 1.848 8.797 1.00 0.00 H new ATOM 0 HB2 SER A -3 19.812 2.379 9.649 1.00 0.00 H new ATOM 0 HB3 SER A -3 18.517 3.560 9.674 1.00 0.00 H new ATOM 0 HG SER A -3 18.826 2.553 11.740 1.00 0.00 H new ATOM 30 N GLY A -2 17.610 3.207 6.794 1.00 0.00 N ATOM 31 CA GLY A -2 17.892 3.797 5.499 1.00 0.00 C ATOM 32 C GLY A -2 18.213 5.276 5.592 1.00 0.00 C ATOM 33 O GLY A -2 17.365 6.078 5.981 1.00 0.00 O ATOM 0 H GLY A -2 16.778 3.571 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A -2 18.732 3.274 5.040 1.00 0.00 H new ATOM 0 HA3 GLY A -2 17.032 3.656 4.844 1.00 0.00 H new ATOM 37 N SER A -1 19.442 5.636 5.234 1.00 0.00 N ATOM 38 CA SER A -1 19.874 7.028 5.285 1.00 0.00 C ATOM 39 C SER A -1 18.940 7.918 4.470 1.00 0.00 C ATOM 40 O SER A -1 18.467 8.946 4.955 1.00 0.00 O ATOM 41 CB SER A -1 21.305 7.158 4.761 1.00 0.00 C ATOM 42 OG SER A -1 22.243 6.699 5.720 1.00 0.00 O ATOM 0 H SER A -1 20.155 4.984 4.906 1.00 0.00 H new ATOM 0 HA SER A -1 19.843 7.354 6.325 1.00 0.00 H new ATOM 0 HB2 SER A -1 21.412 6.585 3.840 1.00 0.00 H new ATOM 0 HB3 SER A -1 21.512 8.199 4.514 1.00 0.00 H new ATOM 0 HG SER A -1 23.150 6.791 5.360 1.00 0.00 H new ATOM 48 N SER A 0 18.680 7.514 3.232 1.00 0.00 N ATOM 49 CA SER A 0 17.805 8.276 2.347 1.00 0.00 C ATOM 50 C SER A 0 17.007 7.345 1.440 1.00 0.00 C ATOM 51 O SER A 0 17.472 6.266 1.073 1.00 0.00 O ATOM 52 CB SER A 0 18.624 9.252 1.503 1.00 0.00 C ATOM 53 OG SER A 0 19.587 8.566 0.721 1.00 0.00 O ATOM 0 H SER A 0 19.062 6.664 2.818 1.00 0.00 H new ATOM 0 HA SER A 0 17.106 8.840 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.960 9.820 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 0 19.124 9.970 2.154 1.00 0.00 H new ATOM 0 HG SER A 0 20.097 9.212 0.189 1.00 0.00 H new ATOM 59 N GLY A 1 15.799 7.771 1.080 1.00 0.00 N ATOM 60 CA GLY A 1 14.955 6.965 0.218 1.00 0.00 C ATOM 61 C GLY A 1 13.934 6.158 0.997 1.00 0.00 C ATOM 62 O GLY A 1 14.273 5.502 1.981 1.00 0.00 O ATOM 0 H GLY A 1 15.391 8.660 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.438 7.614 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.579 6.289 -0.367 1.00 0.00 H new ATOM 66 N MET A 2 12.681 6.208 0.556 1.00 0.00 N ATOM 67 CA MET A 2 11.609 5.476 1.219 1.00 0.00 C ATOM 68 C MET A 2 10.565 5.009 0.210 1.00 0.00 C ATOM 69 O MET A 2 10.153 5.766 -0.667 1.00 0.00 O ATOM 70 CB MET A 2 10.948 6.352 2.285 1.00 0.00 C ATOM 71 CG MET A 2 10.855 7.818 1.895 1.00 0.00 C ATOM 72 SD MET A 2 12.392 8.714 2.194 1.00 0.00 S ATOM 73 CE MET A 2 11.941 9.690 3.627 1.00 0.00 C ATOM 0 H MET A 2 12.384 6.747 -0.257 1.00 0.00 H new ATOM 0 HA MET A 2 12.044 4.599 1.698 1.00 0.00 H new ATOM 0 HB2 MET A 2 9.946 5.973 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 2 11.511 6.267 3.214 1.00 0.00 H new ATOM 0 HG2 MET A 2 10.594 7.894 0.839 1.00 0.00 H new ATOM 0 HG3 MET A 2 10.049 8.289 2.457 1.00 0.00 H new ATOM 0 HE1 MET A 2 12.790 10.300 3.934 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.101 10.337 3.376 1.00 0.00 H new ATOM 0 HE3 MET A 2 11.657 9.027 4.444 1.00 0.00 H new ATOM 83 N ASN A 3 10.142 3.755 0.340 1.00 0.00 N ATOM 84 CA ASN A 3 9.147 3.187 -0.562 1.00 0.00 C ATOM 85 C ASN A 3 7.759 3.214 0.072 1.00 0.00 C ATOM 86 O ASN A 3 7.604 3.585 1.236 1.00 0.00 O ATOM 87 CB ASN A 3 9.524 1.750 -0.931 1.00 0.00 C ATOM 88 CG ASN A 3 8.873 1.295 -2.223 1.00 0.00 C ATOM 89 OD1 ASN A 3 8.253 0.234 -2.279 1.00 0.00 O ATOM 90 ND2 ASN A 3 9.012 2.100 -3.270 1.00 0.00 N ATOM 0 H ASN A 3 10.473 3.114 1.061 1.00 0.00 H new ATOM 0 HA ASN A 3 9.125 3.794 -1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.607 1.675 -1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.228 1.081 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.596 1.847 -4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.535 2.971 -3.178 1.00 0.00 H new ATOM 97 N LYS A 4 6.754 2.816 -0.699 1.00 0.00 N ATOM 98 CA LYS A 4 5.379 2.792 -0.214 1.00 0.00 C ATOM 99 C LYS A 4 4.598 1.648 -0.852 1.00 0.00 C ATOM 100 O LYS A 4 5.041 1.050 -1.833 1.00 0.00 O ATOM 101 CB LYS A 4 4.688 4.125 -0.513 1.00 0.00 C ATOM 102 CG LYS A 4 5.131 5.256 0.398 1.00 0.00 C ATOM 103 CD LYS A 4 4.285 6.501 0.191 1.00 0.00 C ATOM 104 CE LYS A 4 4.487 7.505 1.316 1.00 0.00 C ATOM 105 NZ LYS A 4 5.697 8.345 1.097 1.00 0.00 N ATOM 0 H LYS A 4 6.866 2.505 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 4 5.402 2.636 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.887 4.404 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.610 3.995 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.061 4.936 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.178 5.490 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.543 6.963 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.233 6.222 0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.609 8.146 1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.579 6.975 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.801 9.016 1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.538 7.736 1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.598 8.870 0.205 1.00 0.00 H new ATOM 119 N LEU A 5 3.432 1.348 -0.288 1.00 0.00 N ATOM 120 CA LEU A 5 2.587 0.276 -0.803 1.00 0.00 C ATOM 121 C LEU A 5 1.294 0.834 -1.389 1.00 0.00 C ATOM 122 O LEU A 5 0.677 1.732 -0.814 1.00 0.00 O ATOM 123 CB LEU A 5 2.266 -0.725 0.309 1.00 0.00 C ATOM 124 CG LEU A 5 3.447 -1.170 1.172 1.00 0.00 C ATOM 125 CD1 LEU A 5 2.956 -1.913 2.405 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.399 -2.041 0.366 1.00 0.00 C ATOM 0 H LEU A 5 3.051 1.832 0.525 1.00 0.00 H new ATOM 0 HA LEU A 5 3.133 -0.234 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.511 -0.284 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.819 -1.610 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 5 3.988 -0.282 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.810 -2.222 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.315 -1.257 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.391 -2.793 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.233 -2.348 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.870 -2.924 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.777 -1.475 -0.486 1.00 0.00 H new ATOM 138 N TYR A 6 0.890 0.298 -2.534 1.00 0.00 N ATOM 139 CA TYR A 6 -0.330 0.743 -3.198 1.00 0.00 C ATOM 140 C TYR A 6 -1.493 -0.194 -2.887 1.00 0.00 C ATOM 141 O TYR A 6 -1.451 -1.382 -3.207 1.00 0.00 O ATOM 142 CB TYR A 6 -0.114 0.819 -4.710 1.00 0.00 C ATOM 143 CG TYR A 6 -1.398 0.921 -5.502 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.123 -0.217 -5.834 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.885 2.153 -5.917 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.297 -0.130 -6.557 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.059 2.251 -6.639 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.761 1.106 -6.957 1.00 0.00 C ATOM 149 OH TYR A 6 -4.930 1.199 -7.678 1.00 0.00 O ATOM 0 H TYR A 6 1.389 -0.445 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.576 1.736 -2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.512 1.682 -4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.434 -0.065 -5.035 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.763 -1.186 -5.522 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.337 3.050 -5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.848 -1.024 -6.808 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.425 3.217 -6.953 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.116 2.140 -7.879 1.00 0.00 H new ATOM 159 N ILE A 7 -2.531 0.350 -2.259 1.00 0.00 N ATOM 160 CA ILE A 7 -3.706 -0.437 -1.905 1.00 0.00 C ATOM 161 C ILE A 7 -4.833 -0.222 -2.909 1.00 0.00 C ATOM 162 O ILE A 7 -5.262 0.907 -3.145 1.00 0.00 O ATOM 163 CB ILE A 7 -4.215 -0.083 -0.496 1.00 0.00 C ATOM 164 CG1 ILE A 7 -3.049 -0.033 0.494 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.260 -1.093 -0.042 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.443 0.467 1.867 1.00 0.00 C ATOM 0 H ILE A 7 -2.582 1.331 -1.985 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.403 -1.484 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.680 0.902 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.620 -1.031 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.268 0.612 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.611 -0.830 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.100 -1.084 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.818 -2.089 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.567 0.476 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.844 1.477 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.202 -0.191 2.290 1.00 0.00 H new ATOM 178 N GLY A 8 -5.311 -1.315 -3.498 1.00 0.00 N ATOM 179 CA GLY A 8 -6.385 -1.224 -4.469 1.00 0.00 C ATOM 180 C GLY A 8 -7.655 -1.903 -3.993 1.00 0.00 C ATOM 181 O GLY A 8 -7.628 -2.691 -3.049 1.00 0.00 O ATOM 0 H GLY A 8 -4.973 -2.261 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.594 -0.175 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.063 -1.678 -5.406 1.00 0.00 H new ATOM 185 N ASN A 9 -8.770 -1.594 -4.647 1.00 0.00 N ATOM 186 CA ASN A 9 -10.056 -2.178 -4.283 1.00 0.00 C ATOM 187 C ASN A 9 -10.542 -1.630 -2.945 1.00 0.00 C ATOM 188 O ASN A 9 -11.042 -2.376 -2.101 1.00 0.00 O ATOM 189 CB ASN A 9 -9.946 -3.702 -4.214 1.00 0.00 C ATOM 190 CG ASN A 9 -11.268 -4.391 -4.497 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.955 -4.810 -3.441 1.00 0.00 O flip ATOM 192 ND2 ASN A 9 -11.666 -4.543 -5.653 1.00 0.00 N flip ATOM 0 H ASN A 9 -8.809 -0.943 -5.431 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.781 -1.908 -5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.201 -4.043 -4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.592 -3.994 -3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.104 -4.205 -6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.557 -5.007 -5.829 1.00 0.00 H new ATOM 199 N LEU A 10 -10.395 -0.323 -2.758 1.00 0.00 N ATOM 200 CA LEU A 10 -10.821 0.325 -1.522 1.00 0.00 C ATOM 201 C LEU A 10 -12.112 1.110 -1.735 1.00 0.00 C ATOM 202 O LEU A 10 -12.104 2.188 -2.329 1.00 0.00 O ATOM 203 CB LEU A 10 -9.722 1.259 -1.009 1.00 0.00 C ATOM 204 CG LEU A 10 -8.454 0.581 -0.489 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.409 1.620 -0.116 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.775 -0.308 0.703 1.00 0.00 C ATOM 0 H LEU A 10 -9.984 0.309 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.008 -0.451 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.443 1.937 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.137 1.871 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.047 -0.045 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.513 1.119 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.157 2.215 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.806 2.272 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.861 -0.782 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.206 0.296 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.489 -1.075 0.403 1.00 0.00 H new ATOM 218 N SER A 11 -13.219 0.561 -1.245 1.00 0.00 N ATOM 219 CA SER A 11 -14.519 1.208 -1.383 1.00 0.00 C ATOM 220 C SER A 11 -14.407 2.709 -1.132 1.00 0.00 C ATOM 221 O SER A 11 -13.549 3.177 -0.383 1.00 0.00 O ATOM 222 CB SER A 11 -15.525 0.590 -0.410 1.00 0.00 C ATOM 223 OG SER A 11 -16.549 1.512 -0.083 1.00 0.00 O ATOM 0 H SER A 11 -13.242 -0.330 -0.749 1.00 0.00 H new ATOM 0 HA SER A 11 -14.869 1.053 -2.404 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.964 -0.303 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.011 0.275 0.498 1.00 0.00 H new ATOM 0 HG SER A 11 -17.180 1.093 0.539 1.00 0.00 H new ATOM 229 N PRO A 12 -15.296 3.482 -1.772 1.00 0.00 N ATOM 230 CA PRO A 12 -15.321 4.942 -1.634 1.00 0.00 C ATOM 231 C PRO A 12 -15.783 5.386 -0.251 1.00 0.00 C ATOM 232 O PRO A 12 -15.862 6.580 0.033 1.00 0.00 O ATOM 233 CB PRO A 12 -16.326 5.382 -2.701 1.00 0.00 C ATOM 234 CG PRO A 12 -17.214 4.202 -2.895 1.00 0.00 C ATOM 235 CD PRO A 12 -16.348 2.992 -2.679 1.00 0.00 C ATOM 0 HA PRO A 12 -14.330 5.380 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.893 6.254 -2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.824 5.656 -3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.045 4.218 -2.189 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.646 4.199 -3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.910 2.170 -2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.931 2.624 -3.616 1.00 0.00 H new ATOM 243 N ALA A 13 -16.085 4.416 0.607 1.00 0.00 N ATOM 244 CA ALA A 13 -16.537 4.708 1.961 1.00 0.00 C ATOM 245 C ALA A 13 -15.405 4.532 2.968 1.00 0.00 C ATOM 246 O ALA A 13 -15.489 5.005 4.101 1.00 0.00 O ATOM 247 CB ALA A 13 -17.714 3.817 2.328 1.00 0.00 C ATOM 0 H ALA A 13 -16.025 3.422 0.388 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.859 5.749 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.041 4.046 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.535 3.994 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.410 2.772 2.272 1.00 0.00 H new ATOM 253 N VAL A 14 -14.346 3.848 2.546 1.00 0.00 N ATOM 254 CA VAL A 14 -13.196 3.609 3.411 1.00 0.00 C ATOM 255 C VAL A 14 -12.593 4.922 3.897 1.00 0.00 C ATOM 256 O VAL A 14 -12.508 5.896 3.146 1.00 0.00 O ATOM 257 CB VAL A 14 -12.109 2.794 2.687 1.00 0.00 C ATOM 258 CG1 VAL A 14 -10.937 2.519 3.617 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.688 1.495 2.149 1.00 0.00 C ATOM 0 H VAL A 14 -14.260 3.450 1.611 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.556 3.039 4.267 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.742 3.380 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.179 1.942 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.507 3.464 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.284 1.954 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.906 0.931 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.083 0.903 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.490 1.718 1.446 1.00 0.00 H new ATOM 269 N THR A 15 -12.173 4.943 5.158 1.00 0.00 N ATOM 270 CA THR A 15 -11.577 6.136 5.745 1.00 0.00 C ATOM 271 C THR A 15 -10.194 5.838 6.313 1.00 0.00 C ATOM 272 O THR A 15 -9.887 4.697 6.656 1.00 0.00 O ATOM 273 CB THR A 15 -12.464 6.717 6.862 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.954 5.661 7.696 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.635 7.491 6.275 1.00 0.00 C ATOM 0 H THR A 15 -12.235 4.147 5.792 1.00 0.00 H new ATOM 0 HA THR A 15 -11.487 6.870 4.944 1.00 0.00 H new ATOM 0 HB THR A 15 -11.860 7.400 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.516 6.038 8.405 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.247 7.892 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.259 8.311 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.239 6.825 5.658 1.00 0.00 H new ATOM 283 N ALA A 16 -9.364 6.871 6.413 1.00 0.00 N ATOM 284 CA ALA A 16 -8.015 6.719 6.944 1.00 0.00 C ATOM 285 C ALA A 16 -8.039 6.088 8.332 1.00 0.00 C ATOM 286 O ALA A 16 -7.171 5.283 8.673 1.00 0.00 O ATOM 287 CB ALA A 16 -7.310 8.068 6.988 1.00 0.00 C ATOM 0 H ALA A 16 -9.602 7.822 6.133 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.463 6.054 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.304 7.940 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.252 8.481 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.869 8.750 7.628 1.00 0.00 H new ATOM 293 N ASP A 17 -9.036 6.458 9.128 1.00 0.00 N ATOM 294 CA ASP A 17 -9.173 5.927 10.479 1.00 0.00 C ATOM 295 C ASP A 17 -9.340 4.410 10.453 1.00 0.00 C ATOM 296 O ASP A 17 -8.781 3.700 11.290 1.00 0.00 O ATOM 297 CB ASP A 17 -10.367 6.572 11.185 1.00 0.00 C ATOM 298 CG ASP A 17 -10.351 8.084 11.084 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.554 8.718 11.808 1.00 0.00 O ATOM 300 OD2 ASP A 17 -11.137 8.634 10.283 1.00 0.00 O ATOM 0 H ASP A 17 -9.761 7.124 8.861 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.263 6.165 11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.291 6.191 10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.365 6.281 12.235 1.00 0.00 H new ATOM 305 N ASP A 18 -10.112 3.922 9.490 1.00 0.00 N ATOM 306 CA ASP A 18 -10.352 2.490 9.354 1.00 0.00 C ATOM 307 C ASP A 18 -9.079 1.763 8.931 1.00 0.00 C ATOM 308 O ASP A 18 -8.802 0.656 9.393 1.00 0.00 O ATOM 309 CB ASP A 18 -11.465 2.232 8.336 1.00 0.00 C ATOM 310 CG ASP A 18 -12.842 2.250 8.967 1.00 0.00 C ATOM 311 OD1 ASP A 18 -13.127 1.360 9.796 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.636 3.153 8.632 1.00 0.00 O ATOM 0 H ASP A 18 -10.583 4.497 8.791 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.663 2.105 10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.418 2.987 7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.300 1.266 7.859 1.00 0.00 H new ATOM 317 N LEU A 19 -8.311 2.391 8.049 1.00 0.00 N ATOM 318 CA LEU A 19 -7.067 1.804 7.562 1.00 0.00 C ATOM 319 C LEU A 19 -6.064 1.635 8.698 1.00 0.00 C ATOM 320 O LEU A 19 -5.459 0.574 8.853 1.00 0.00 O ATOM 321 CB LEU A 19 -6.465 2.677 6.459 1.00 0.00 C ATOM 322 CG LEU A 19 -6.857 2.314 5.027 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.143 3.218 4.033 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.544 0.853 4.742 1.00 0.00 C ATOM 0 H LEU A 19 -8.527 3.307 7.656 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.294 0.819 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.756 3.711 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.379 2.632 6.540 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.931 2.463 4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.434 2.945 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.418 4.256 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.065 3.102 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.830 0.613 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.476 0.678 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.102 0.220 5.432 1.00 0.00 H new ATOM 336 N ARG A 20 -5.892 2.688 9.491 1.00 0.00 N ATOM 337 CA ARG A 20 -4.962 2.655 10.614 1.00 0.00 C ATOM 338 C ARG A 20 -5.410 1.639 11.661 1.00 0.00 C ATOM 339 O ARG A 20 -4.596 0.889 12.198 1.00 0.00 O ATOM 340 CB ARG A 20 -4.849 4.042 11.249 1.00 0.00 C ATOM 341 CG ARG A 20 -6.182 4.618 11.699 1.00 0.00 C ATOM 342 CD ARG A 20 -6.021 6.018 12.269 1.00 0.00 C ATOM 343 NE ARG A 20 -5.538 6.965 11.267 1.00 0.00 N ATOM 344 CZ ARG A 20 -4.253 7.138 10.977 1.00 0.00 C ATOM 345 NH1 ARG A 20 -3.327 6.432 11.611 1.00 0.00 N ATOM 346 NH2 ARG A 20 -3.893 8.019 10.053 1.00 0.00 N ATOM 0 H ARG A 20 -6.384 3.574 9.377 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.985 2.354 10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.179 3.986 12.107 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.392 4.724 10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.871 4.645 10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.625 3.966 12.452 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.978 6.362 12.661 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.325 5.990 13.107 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.225 7.524 10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.601 5.755 12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.341 6.566 11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.603 8.564 9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.906 8.151 9.831 1.00 0.00 H new ATOM 360 N GLN A 21 -6.708 1.622 11.945 1.00 0.00 N ATOM 361 CA GLN A 21 -7.263 0.700 12.929 1.00 0.00 C ATOM 362 C GLN A 21 -7.046 -0.748 12.500 1.00 0.00 C ATOM 363 O GLN A 21 -6.820 -1.626 13.333 1.00 0.00 O ATOM 364 CB GLN A 21 -8.757 0.968 13.125 1.00 0.00 C ATOM 365 CG GLN A 21 -9.054 1.973 14.225 1.00 0.00 C ATOM 366 CD GLN A 21 -8.128 3.173 14.186 1.00 0.00 C ATOM 367 OE1 GLN A 21 -8.460 4.211 13.612 1.00 0.00 O ATOM 368 NE2 GLN A 21 -6.957 3.038 14.798 1.00 0.00 N ATOM 0 H GLN A 21 -7.395 2.236 11.508 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.745 0.862 13.874 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.179 1.332 12.188 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.259 0.029 13.357 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.086 2.312 14.133 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.965 1.482 15.194 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.722 2.160 15.262 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.293 3.812 14.804 1.00 0.00 H new ATOM 377 N LEU A 22 -7.116 -0.990 11.195 1.00 0.00 N ATOM 378 CA LEU A 22 -6.928 -2.332 10.655 1.00 0.00 C ATOM 379 C LEU A 22 -5.493 -2.805 10.862 1.00 0.00 C ATOM 380 O LEU A 22 -5.258 -3.908 11.358 1.00 0.00 O ATOM 381 CB LEU A 22 -7.275 -2.356 9.166 1.00 0.00 C ATOM 382 CG LEU A 22 -7.023 -3.679 8.439 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.056 -4.717 8.846 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.037 -3.470 6.932 1.00 0.00 C ATOM 0 H LEU A 22 -7.301 -0.275 10.492 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.595 -3.009 11.188 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.328 -2.098 9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.701 -1.575 8.667 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.038 -4.047 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.861 -5.651 8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.996 -4.888 9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.053 -4.358 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.856 -4.421 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.008 -3.079 6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.257 -2.760 6.656 1.00 0.00 H new ATOM 396 N PHE A 23 -4.537 -1.965 10.482 1.00 0.00 N ATOM 397 CA PHE A 23 -3.125 -2.298 10.628 1.00 0.00 C ATOM 398 C PHE A 23 -2.745 -2.424 12.100 1.00 0.00 C ATOM 399 O PHE A 23 -2.077 -3.377 12.500 1.00 0.00 O ATOM 400 CB PHE A 23 -2.256 -1.232 9.954 1.00 0.00 C ATOM 401 CG PHE A 23 -2.164 -1.388 8.464 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.299 -1.310 7.674 1.00 0.00 C ATOM 403 CD2 PHE A 23 -0.941 -1.615 7.852 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.217 -1.452 6.301 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.853 -1.758 6.481 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.992 -1.678 5.704 1.00 0.00 C ATOM 0 H PHE A 23 -4.714 -1.049 10.071 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.952 -3.259 10.143 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.661 -0.246 10.184 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.253 -1.271 10.378 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.260 -1.136 8.136 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.047 -1.681 8.454 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.109 -1.386 5.696 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.106 -1.932 6.017 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.925 -1.792 4.632 1.00 0.00 H new ATOM 416 N GLY A 24 -3.174 -1.454 12.901 1.00 0.00 N ATOM 417 CA GLY A 24 -2.869 -1.474 14.320 1.00 0.00 C ATOM 418 C GLY A 24 -3.454 -2.685 15.022 1.00 0.00 C ATOM 419 O GLY A 24 -2.850 -3.226 15.948 1.00 0.00 O ATOM 0 H GLY A 24 -3.727 -0.654 12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.788 -1.466 14.456 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.255 -0.567 14.784 1.00 0.00 H new ATOM 423 N ASP A 25 -4.633 -3.109 14.580 1.00 0.00 N ATOM 424 CA ASP A 25 -5.300 -4.263 15.173 1.00 0.00 C ATOM 425 C ASP A 25 -4.448 -5.520 15.024 1.00 0.00 C ATOM 426 O ASP A 25 -4.430 -6.377 15.907 1.00 0.00 O ATOM 427 CB ASP A 25 -6.666 -4.479 14.521 1.00 0.00 C ATOM 428 CG ASP A 25 -7.773 -3.726 15.233 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.573 -2.535 15.547 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.839 -4.330 15.477 1.00 0.00 O ATOM 0 H ASP A 25 -5.146 -2.672 13.814 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.440 -4.064 16.236 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.623 -4.158 13.480 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.899 -5.544 14.517 1.00 0.00 H new ATOM 435 N ARG A 26 -3.743 -5.621 13.902 1.00 0.00 N ATOM 436 CA ARG A 26 -2.890 -6.774 13.637 1.00 0.00 C ATOM 437 C ARG A 26 -1.478 -6.537 14.165 1.00 0.00 C ATOM 438 O ARG A 26 -0.527 -7.197 13.742 1.00 0.00 O ATOM 439 CB ARG A 26 -2.843 -7.066 12.137 1.00 0.00 C ATOM 440 CG ARG A 26 -3.923 -8.028 11.670 1.00 0.00 C ATOM 441 CD ARG A 26 -5.294 -7.369 11.665 1.00 0.00 C ATOM 442 NE ARG A 26 -5.980 -7.522 12.945 1.00 0.00 N ATOM 443 CZ ARG A 26 -7.300 -7.464 13.083 1.00 0.00 C ATOM 444 NH1 ARG A 26 -8.072 -7.255 12.025 1.00 0.00 N ATOM 445 NH2 ARG A 26 -7.850 -7.613 14.281 1.00 0.00 N ATOM 0 H ARG A 26 -3.745 -4.919 13.162 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.313 -7.635 14.154 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.942 -6.129 11.590 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.866 -7.480 11.886 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.686 -8.384 10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.940 -8.901 12.322 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.186 -6.309 11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.903 -7.805 10.873 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.415 -7.682 13.779 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.652 -7.138 11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.085 -7.211 12.134 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.259 -7.772 15.097 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.864 -7.568 14.386 1.00 0.00 H new ATOM 459 N LYS A 27 -1.347 -5.592 15.089 1.00 0.00 N ATOM 460 CA LYS A 27 -0.052 -5.268 15.676 1.00 0.00 C ATOM 461 C LYS A 27 0.915 -4.758 14.611 1.00 0.00 C ATOM 462 O LYS A 27 2.098 -5.103 14.617 1.00 0.00 O ATOM 463 CB LYS A 27 0.539 -6.498 16.370 1.00 0.00 C ATOM 464 CG LYS A 27 0.041 -6.691 17.791 1.00 0.00 C ATOM 465 CD LYS A 27 -1.326 -7.356 17.818 1.00 0.00 C ATOM 466 CE LYS A 27 -1.608 -7.996 19.168 1.00 0.00 C ATOM 467 NZ LYS A 27 -1.989 -6.986 20.193 1.00 0.00 N ATOM 0 H LYS A 27 -2.123 -5.036 15.448 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.202 -4.480 16.414 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.298 -7.386 15.785 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.625 -6.411 16.383 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.754 -7.300 18.348 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.013 -5.725 18.293 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.096 -6.617 17.597 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.378 -8.114 17.037 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.410 -8.727 19.063 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.724 -8.539 19.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.173 -7.463 21.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.214 -6.303 20.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.847 -6.485 19.885 1.00 0.00 H new ATOM 481 N LEU A 28 0.405 -3.937 13.700 1.00 0.00 N ATOM 482 CA LEU A 28 1.225 -3.379 12.630 1.00 0.00 C ATOM 483 C LEU A 28 1.185 -1.854 12.654 1.00 0.00 C ATOM 484 O LEU A 28 0.485 -1.214 11.870 1.00 0.00 O ATOM 485 CB LEU A 28 0.742 -3.891 11.272 1.00 0.00 C ATOM 486 CG LEU A 28 0.659 -5.410 11.119 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.314 -5.783 10.010 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.036 -5.996 10.841 1.00 0.00 C ATOM 0 H LEU A 28 -0.571 -3.643 13.680 1.00 0.00 H new ATOM 0 HA LEU A 28 2.254 -3.701 12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.245 -3.472 11.078 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.409 -3.504 10.502 1.00 0.00 H new ATOM 0 HG LEU A 28 0.290 -5.829 12.055 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.360 -6.868 9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.305 -5.397 10.250 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.025 -5.351 9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.956 -7.078 10.735 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.434 -5.570 9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.705 -5.761 11.668 1.00 0.00 H new ATOM 500 N PRO A 29 1.958 -1.256 13.573 1.00 0.00 N ATOM 501 CA PRO A 29 2.031 0.201 13.720 1.00 0.00 C ATOM 502 C PRO A 29 2.744 0.866 12.547 1.00 0.00 C ATOM 503 O PRO A 29 3.954 0.716 12.377 1.00 0.00 O ATOM 504 CB PRO A 29 2.835 0.387 15.009 1.00 0.00 C ATOM 505 CG PRO A 29 3.653 -0.852 15.129 1.00 0.00 C ATOM 506 CD PRO A 29 2.819 -1.957 14.541 1.00 0.00 C ATOM 0 HA PRO A 29 1.042 0.658 13.748 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.466 1.274 14.957 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.179 0.513 15.870 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.598 -0.749 14.595 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.897 -1.059 16.171 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.437 -2.712 14.056 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.232 -2.468 15.305 1.00 0.00 H new ATOM 514 N LEU A 30 1.986 1.600 11.741 1.00 0.00 N ATOM 515 CA LEU A 30 2.546 2.290 10.583 1.00 0.00 C ATOM 516 C LEU A 30 3.617 3.289 11.009 1.00 0.00 C ATOM 517 O LEU A 30 3.307 4.378 11.488 1.00 0.00 O ATOM 518 CB LEU A 30 1.440 3.009 9.809 1.00 0.00 C ATOM 519 CG LEU A 30 0.363 2.117 9.189 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.957 2.864 9.091 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.804 1.625 7.819 1.00 0.00 C ATOM 0 H LEU A 30 0.983 1.733 11.867 1.00 0.00 H new ATOM 0 HA LEU A 30 3.008 1.545 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.954 3.716 10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.902 3.593 9.013 1.00 0.00 H new ATOM 0 HG LEU A 30 0.218 1.251 9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.711 2.214 8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.279 3.166 10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.829 3.749 8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.026 0.992 7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.977 2.479 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.725 1.051 7.918 1.00 0.00 H new ATOM 533 N ALA A 31 4.878 2.909 10.829 1.00 0.00 N ATOM 534 CA ALA A 31 5.994 3.773 11.190 1.00 0.00 C ATOM 535 C ALA A 31 6.312 4.758 10.070 1.00 0.00 C ATOM 536 O ALA A 31 7.474 5.068 9.814 1.00 0.00 O ATOM 537 CB ALA A 31 7.221 2.938 11.523 1.00 0.00 C ATOM 0 H ALA A 31 5.151 2.009 10.435 1.00 0.00 H new ATOM 0 HA ALA A 31 5.706 4.346 12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.047 3.596 11.791 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.996 2.279 12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.500 2.340 10.656 1.00 0.00 H new ATOM 543 N GLY A 32 5.269 5.247 9.405 1.00 0.00 N ATOM 544 CA GLY A 32 5.459 6.191 8.320 1.00 0.00 C ATOM 545 C GLY A 32 4.219 7.023 8.053 1.00 0.00 C ATOM 546 O GLY A 32 3.352 7.150 8.916 1.00 0.00 O ATOM 0 H GLY A 32 4.297 5.006 9.599 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.292 6.852 8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.732 5.649 7.414 1.00 0.00 H new ATOM 550 N GLN A 33 4.138 7.592 6.854 1.00 0.00 N ATOM 551 CA GLN A 33 2.997 8.418 6.477 1.00 0.00 C ATOM 552 C GLN A 33 1.933 7.587 5.768 1.00 0.00 C ATOM 553 O GLN A 33 2.241 6.577 5.133 1.00 0.00 O ATOM 554 CB GLN A 33 3.449 9.568 5.575 1.00 0.00 C ATOM 555 CG GLN A 33 2.349 10.573 5.274 1.00 0.00 C ATOM 556 CD GLN A 33 2.285 11.692 6.295 1.00 0.00 C ATOM 557 OE1 GLN A 33 3.308 12.272 6.662 1.00 0.00 O ATOM 558 NE2 GLN A 33 1.080 12.001 6.760 1.00 0.00 N ATOM 0 H GLN A 33 4.848 7.496 6.128 1.00 0.00 H new ATOM 0 HA GLN A 33 2.562 8.830 7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.282 10.085 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.822 9.158 4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.512 10.999 4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.389 10.057 5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.260 11.494 6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.975 12.745 7.449 1.00 0.00 H new ATOM 567 N VAL A 34 0.681 8.017 5.879 1.00 0.00 N ATOM 568 CA VAL A 34 -0.429 7.312 5.248 1.00 0.00 C ATOM 569 C VAL A 34 -1.190 8.228 4.296 1.00 0.00 C ATOM 570 O VAL A 34 -1.457 9.387 4.612 1.00 0.00 O ATOM 571 CB VAL A 34 -1.408 6.752 6.297 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.597 6.091 5.618 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.698 5.774 7.220 1.00 0.00 C ATOM 0 H VAL A 34 0.409 8.851 6.400 1.00 0.00 H new ATOM 0 HA VAL A 34 0.001 6.483 4.685 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.780 7.580 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.278 5.701 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.119 6.824 5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.248 5.273 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.405 5.388 7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.296 4.947 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.117 6.284 7.734 1.00 0.00 H new ATOM 583 N LEU A 35 -1.537 7.698 3.127 1.00 0.00 N ATOM 584 CA LEU A 35 -2.269 8.468 2.127 1.00 0.00 C ATOM 585 C LEU A 35 -3.498 7.704 1.645 1.00 0.00 C ATOM 586 O LEU A 35 -3.421 6.514 1.336 1.00 0.00 O ATOM 587 CB LEU A 35 -1.361 8.795 0.941 1.00 0.00 C ATOM 588 CG LEU A 35 -1.654 10.107 0.211 1.00 0.00 C ATOM 589 CD1 LEU A 35 -0.377 10.688 -0.376 1.00 0.00 C ATOM 590 CD2 LEU A 35 -2.694 9.889 -0.878 1.00 0.00 C ATOM 0 H LEU A 35 -1.324 6.740 2.849 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.600 9.398 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.330 8.822 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.429 7.979 0.221 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.055 10.821 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.605 11.621 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.337 10.881 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.054 9.979 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.891 10.832 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.321 9.159 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.617 9.519 -0.431 1.00 0.00 H new ATOM 602 N LEU A 36 -4.631 8.396 1.581 1.00 0.00 N ATOM 603 CA LEU A 36 -5.877 7.783 1.134 1.00 0.00 C ATOM 604 C LEU A 36 -6.403 8.472 -0.122 1.00 0.00 C ATOM 605 O LEU A 36 -6.773 9.646 -0.090 1.00 0.00 O ATOM 606 CB LEU A 36 -6.928 7.850 2.244 1.00 0.00 C ATOM 607 CG LEU A 36 -8.350 7.452 1.847 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.420 5.966 1.534 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.333 7.814 2.951 1.00 0.00 C ATOM 0 H LEU A 36 -4.712 9.381 1.833 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.675 6.739 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.606 7.204 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.952 8.868 2.633 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.624 8.005 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.439 5.701 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.745 5.736 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.126 5.395 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.340 7.524 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.061 7.289 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.303 8.889 3.127 1.00 0.00 H new ATOM 621 N LYS A 37 -6.434 7.734 -1.226 1.00 0.00 N ATOM 622 CA LYS A 37 -6.918 8.271 -2.492 1.00 0.00 C ATOM 623 C LYS A 37 -8.250 7.637 -2.879 1.00 0.00 C ATOM 624 O LYS A 37 -8.589 6.549 -2.412 1.00 0.00 O ATOM 625 CB LYS A 37 -5.887 8.032 -3.597 1.00 0.00 C ATOM 626 CG LYS A 37 -4.633 8.877 -3.453 1.00 0.00 C ATOM 627 CD LYS A 37 -4.782 10.220 -4.147 1.00 0.00 C ATOM 628 CE LYS A 37 -3.434 10.775 -4.582 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.037 10.277 -5.929 1.00 0.00 N ATOM 0 H LYS A 37 -6.129 6.762 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.069 9.343 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.607 6.979 -3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.347 8.241 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.419 9.035 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.782 8.341 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.430 10.111 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.268 10.927 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.477 11.864 -4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.674 10.495 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.113 10.678 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.971 9.239 -5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.749 10.566 -6.630 1.00 0.00 H new ATOM 643 N SER A 38 -9.000 8.323 -3.735 1.00 0.00 N ATOM 644 CA SER A 38 -10.297 7.828 -4.182 1.00 0.00 C ATOM 645 C SER A 38 -10.132 6.584 -5.051 1.00 0.00 C ATOM 646 O SER A 38 -9.958 6.680 -6.265 1.00 0.00 O ATOM 647 CB SER A 38 -11.040 8.914 -4.961 1.00 0.00 C ATOM 648 OG SER A 38 -11.678 9.826 -4.084 1.00 0.00 O ATOM 0 H SER A 38 -8.732 9.223 -4.133 1.00 0.00 H new ATOM 0 HA SER A 38 -10.880 7.560 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.339 9.450 -5.601 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.781 8.454 -5.615 1.00 0.00 H new ATOM 0 HG SER A 38 -12.144 10.511 -4.607 1.00 0.00 H new ATOM 654 N GLY A 39 -10.190 5.417 -4.419 1.00 0.00 N ATOM 655 CA GLY A 39 -10.046 4.170 -5.148 1.00 0.00 C ATOM 656 C GLY A 39 -8.812 3.393 -4.732 1.00 0.00 C ATOM 657 O GLY A 39 -8.705 2.196 -4.995 1.00 0.00 O ATOM 0 H GLY A 39 -10.334 5.312 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.931 3.554 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.995 4.381 -6.216 1.00 0.00 H new ATOM 661 N TYR A 40 -7.877 4.076 -4.080 1.00 0.00 N ATOM 662 CA TYR A 40 -6.644 3.444 -3.630 1.00 0.00 C ATOM 663 C TYR A 40 -6.031 4.214 -2.463 1.00 0.00 C ATOM 664 O TYR A 40 -6.507 5.287 -2.095 1.00 0.00 O ATOM 665 CB TYR A 40 -5.640 3.359 -4.781 1.00 0.00 C ATOM 666 CG TYR A 40 -5.624 4.587 -5.664 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.492 4.704 -6.742 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.740 5.631 -5.417 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.480 5.823 -7.550 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.723 6.756 -6.220 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.594 6.847 -7.285 1.00 0.00 C ATOM 672 OH TYR A 40 -5.580 7.965 -8.087 1.00 0.00 O ATOM 0 H TYR A 40 -7.950 5.067 -3.852 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.885 2.437 -3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.642 3.204 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.873 2.486 -5.391 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.188 3.906 -6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.056 5.562 -4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.161 5.897 -8.385 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.031 7.559 -6.014 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.899 8.591 -7.764 1.00 0.00 H new ATOM 682 N ALA A 41 -4.972 3.655 -1.886 1.00 0.00 N ATOM 683 CA ALA A 41 -4.292 4.289 -0.763 1.00 0.00 C ATOM 684 C ALA A 41 -2.800 3.977 -0.779 1.00 0.00 C ATOM 685 O ALA A 41 -2.382 2.916 -1.243 1.00 0.00 O ATOM 686 CB ALA A 41 -4.913 3.839 0.551 1.00 0.00 C ATOM 0 H ALA A 41 -4.567 2.765 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.412 5.368 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.396 4.320 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.967 4.117 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.822 2.757 0.645 1.00 0.00 H new ATOM 692 N PHE A 42 -2.000 4.909 -0.270 1.00 0.00 N ATOM 693 CA PHE A 42 -0.553 4.734 -0.226 1.00 0.00 C ATOM 694 C PHE A 42 -0.043 4.775 1.211 1.00 0.00 C ATOM 695 O PHE A 42 -0.202 5.776 1.909 1.00 0.00 O ATOM 696 CB PHE A 42 0.138 5.818 -1.056 1.00 0.00 C ATOM 697 CG PHE A 42 -0.248 5.800 -2.507 1.00 0.00 C ATOM 698 CD1 PHE A 42 0.298 4.866 -3.372 1.00 0.00 C ATOM 699 CD2 PHE A 42 -1.161 6.717 -3.006 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.056 4.848 -4.709 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.519 6.703 -4.341 1.00 0.00 C ATOM 702 CZ PHE A 42 -0.966 5.766 -5.193 1.00 0.00 C ATOM 0 H PHE A 42 -2.330 5.793 0.118 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.317 3.757 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.103 6.795 -0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.218 5.694 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.008 4.143 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.597 7.450 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.379 4.116 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.230 7.423 -4.718 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.245 5.752 -6.236 1.00 0.00 H new ATOM 712 N VAL A 43 0.572 3.679 1.647 1.00 0.00 N ATOM 713 CA VAL A 43 1.107 3.589 3.000 1.00 0.00 C ATOM 714 C VAL A 43 2.606 3.317 2.982 1.00 0.00 C ATOM 715 O VAL A 43 3.097 2.545 2.157 1.00 0.00 O ATOM 716 CB VAL A 43 0.404 2.482 3.808 1.00 0.00 C ATOM 717 CG1 VAL A 43 -1.036 2.870 4.108 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.464 1.158 3.060 1.00 0.00 C ATOM 0 H VAL A 43 0.712 2.841 1.082 1.00 0.00 H new ATOM 0 HA VAL A 43 0.922 4.551 3.478 1.00 0.00 H new ATOM 0 HB VAL A 43 0.926 2.362 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.515 2.075 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.051 3.793 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.575 3.020 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.037 0.387 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.033 1.262 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.505 0.875 2.903 1.00 0.00 H new ATOM 728 N ASP A 44 3.329 3.954 3.896 1.00 0.00 N ATOM 729 CA ASP A 44 4.773 3.780 3.986 1.00 0.00 C ATOM 730 C ASP A 44 5.126 2.654 4.953 1.00 0.00 C ATOM 731 O ASP A 44 4.691 2.653 6.105 1.00 0.00 O ATOM 732 CB ASP A 44 5.439 5.082 4.435 1.00 0.00 C ATOM 733 CG ASP A 44 6.886 5.174 3.997 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.577 4.133 4.005 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.330 6.286 3.643 1.00 0.00 O ATOM 0 H ASP A 44 2.938 4.596 4.585 1.00 0.00 H new ATOM 0 HA ASP A 44 5.144 3.514 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.885 5.928 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.386 5.158 5.521 1.00 0.00 H new ATOM 740 N TYR A 45 5.914 1.698 4.477 1.00 0.00 N ATOM 741 CA TYR A 45 6.322 0.563 5.298 1.00 0.00 C ATOM 742 C TYR A 45 7.725 0.774 5.859 1.00 0.00 C ATOM 743 O TYR A 45 8.602 1.342 5.209 1.00 0.00 O ATOM 744 CB TYR A 45 6.276 -0.728 4.480 1.00 0.00 C ATOM 745 CG TYR A 45 7.323 -0.793 3.391 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.644 -1.107 3.688 1.00 0.00 C ATOM 747 CD2 TYR A 45 6.992 -0.542 2.066 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.604 -1.165 2.697 1.00 0.00 C ATOM 749 CE2 TYR A 45 7.945 -0.600 1.067 1.00 0.00 C ATOM 750 CZ TYR A 45 9.250 -0.912 1.388 1.00 0.00 C ATOM 751 OH TYR A 45 10.203 -0.972 0.397 1.00 0.00 O ATOM 0 H TYR A 45 6.284 1.685 3.526 1.00 0.00 H new ATOM 0 HA TYR A 45 5.625 0.481 6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.408 -1.578 5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.289 -0.828 4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.924 -1.309 4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.971 -0.297 1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.627 -1.407 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.670 -0.402 0.041 1.00 0.00 H new ATOM 0 HH TYR A 45 9.763 -1.008 -0.478 1.00 0.00 H new ATOM 761 N PRO A 46 7.943 0.303 7.097 1.00 0.00 N ATOM 762 CA PRO A 46 9.237 0.426 7.774 1.00 0.00 C ATOM 763 C PRO A 46 10.307 -0.459 7.143 1.00 0.00 C ATOM 764 O PRO A 46 11.406 0.004 6.837 1.00 0.00 O ATOM 765 CB PRO A 46 8.936 -0.035 9.201 1.00 0.00 C ATOM 766 CG PRO A 46 7.756 -0.936 9.068 1.00 0.00 C ATOM 767 CD PRO A 46 6.942 -0.385 7.928 1.00 0.00 C ATOM 0 HA PRO A 46 9.634 1.439 7.714 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.787 -0.559 9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.717 0.811 9.852 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.068 -1.961 8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.174 -0.956 9.989 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.436 -1.177 7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.171 0.301 8.279 1.00 0.00 H new ATOM 775 N ASP A 47 9.979 -1.731 6.952 1.00 0.00 N ATOM 776 CA ASP A 47 10.912 -2.681 6.356 1.00 0.00 C ATOM 777 C ASP A 47 10.190 -3.625 5.400 1.00 0.00 C ATOM 778 O ASP A 47 8.986 -3.848 5.524 1.00 0.00 O ATOM 779 CB ASP A 47 11.622 -3.484 7.447 1.00 0.00 C ATOM 780 CG ASP A 47 12.663 -4.431 6.883 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.683 -3.943 6.355 1.00 0.00 O ATOM 782 OD2 ASP A 47 12.457 -5.660 6.971 1.00 0.00 O ATOM 0 H ASP A 47 9.074 -2.129 7.201 1.00 0.00 H new ATOM 0 HA ASP A 47 11.654 -2.118 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.100 -2.798 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.885 -4.054 8.013 1.00 0.00 H new ATOM 787 N GLN A 48 10.934 -4.175 4.446 1.00 0.00 N ATOM 788 CA GLN A 48 10.364 -5.094 3.468 1.00 0.00 C ATOM 789 C GLN A 48 9.683 -6.270 4.159 1.00 0.00 C ATOM 790 O GLN A 48 8.634 -6.739 3.717 1.00 0.00 O ATOM 791 CB GLN A 48 11.451 -5.604 2.521 1.00 0.00 C ATOM 792 CG GLN A 48 10.923 -6.037 1.163 1.00 0.00 C ATOM 793 CD GLN A 48 11.983 -5.989 0.080 1.00 0.00 C ATOM 794 OE1 GLN A 48 12.892 -6.819 0.050 1.00 0.00 O ATOM 795 NE2 GLN A 48 11.873 -5.015 -0.815 1.00 0.00 N ATOM 0 H GLN A 48 11.932 -4.000 4.329 1.00 0.00 H new ATOM 0 HA GLN A 48 9.615 -4.551 2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.194 -4.819 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.962 -6.446 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.531 -7.051 1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.090 -5.393 0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.103 -4.349 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.558 -4.933 -1.566 1.00 0.00 H new ATOM 804 N ASN A 49 10.285 -6.742 5.244 1.00 0.00 N ATOM 805 CA ASN A 49 9.738 -7.866 5.996 1.00 0.00 C ATOM 806 C ASN A 49 8.362 -7.522 6.561 1.00 0.00 C ATOM 807 O ASN A 49 7.442 -8.339 6.522 1.00 0.00 O ATOM 808 CB ASN A 49 10.684 -8.257 7.131 1.00 0.00 C ATOM 809 CG ASN A 49 11.935 -8.952 6.627 1.00 0.00 C ATOM 810 OD1 ASN A 49 12.133 -9.099 5.422 1.00 0.00 O ATOM 811 ND2 ASN A 49 12.787 -9.381 7.552 1.00 0.00 N ATOM 0 H ASN A 49 11.153 -6.364 5.624 1.00 0.00 H new ATOM 0 HA ASN A 49 9.632 -8.710 5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.967 -7.364 7.688 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.161 -8.914 7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.647 -9.854 7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.581 -9.237 8.541 1.00 0.00 H new ATOM 818 N TRP A 50 8.230 -6.309 7.085 1.00 0.00 N ATOM 819 CA TRP A 50 6.968 -5.857 7.658 1.00 0.00 C ATOM 820 C TRP A 50 5.888 -5.760 6.586 1.00 0.00 C ATOM 821 O TRP A 50 4.756 -6.197 6.791 1.00 0.00 O ATOM 822 CB TRP A 50 7.150 -4.500 8.340 1.00 0.00 C ATOM 823 CG TRP A 50 5.869 -3.918 8.856 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.412 -3.953 10.143 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.880 -3.214 8.096 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.199 -3.314 10.227 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.851 -2.852 8.986 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.765 -2.854 6.750 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.723 -2.149 8.572 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.645 -2.157 6.342 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.637 -1.809 7.250 1.00 0.00 C ATOM 0 H TRP A 50 8.982 -5.621 7.125 1.00 0.00 H new ATOM 0 HA TRP A 50 6.652 -6.589 8.401 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.851 -4.609 9.168 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.598 -3.803 7.632 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.928 -4.415 10.972 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.646 -3.202 11.077 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.538 -3.116 6.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.943 -1.882 9.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.544 -1.875 5.304 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.775 -1.261 6.899 1.00 0.00 H new ATOM 842 N ALA A 51 6.245 -5.186 5.442 1.00 0.00 N ATOM 843 CA ALA A 51 5.306 -5.034 4.338 1.00 0.00 C ATOM 844 C ALA A 51 4.779 -6.388 3.875 1.00 0.00 C ATOM 845 O ALA A 51 3.579 -6.558 3.662 1.00 0.00 O ATOM 846 CB ALA A 51 5.966 -4.299 3.181 1.00 0.00 C ATOM 0 H ALA A 51 7.178 -4.819 5.256 1.00 0.00 H new ATOM 0 HA ALA A 51 4.459 -4.446 4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.253 -4.193 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.287 -3.312 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.831 -4.865 2.836 1.00 0.00 H new ATOM 852 N ILE A 52 5.685 -7.348 3.721 1.00 0.00 N ATOM 853 CA ILE A 52 5.310 -8.688 3.284 1.00 0.00 C ATOM 854 C ILE A 52 4.340 -9.336 4.266 1.00 0.00 C ATOM 855 O ILE A 52 3.341 -9.932 3.864 1.00 0.00 O ATOM 856 CB ILE A 52 6.545 -9.594 3.126 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.499 -9.017 2.078 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.122 -11.005 2.745 1.00 0.00 C ATOM 859 CD1 ILE A 52 8.912 -9.544 2.190 1.00 0.00 C ATOM 0 H ILE A 52 6.683 -7.223 3.892 1.00 0.00 H new ATOM 0 HA ILE A 52 4.823 -8.579 2.315 1.00 0.00 H new ATOM 0 HB ILE A 52 7.069 -9.638 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.113 -9.244 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.516 -7.931 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.006 -11.633 2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.479 -11.415 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.578 -10.979 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.532 -9.092 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.317 -9.294 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.908 -10.627 2.064 1.00 0.00 H new ATOM 871 N ARG A 53 4.640 -9.211 5.554 1.00 0.00 N ATOM 872 CA ARG A 53 3.795 -9.784 6.595 1.00 0.00 C ATOM 873 C ARG A 53 2.458 -9.050 6.675 1.00 0.00 C ATOM 874 O ARG A 53 1.410 -9.667 6.861 1.00 0.00 O ATOM 875 CB ARG A 53 4.503 -9.725 7.949 1.00 0.00 C ATOM 876 CG ARG A 53 3.599 -10.054 9.124 1.00 0.00 C ATOM 877 CD ARG A 53 4.397 -10.253 10.403 1.00 0.00 C ATOM 878 NE ARG A 53 3.587 -10.019 11.597 1.00 0.00 N ATOM 879 CZ ARG A 53 4.098 -9.873 12.813 1.00 0.00 C ATOM 880 NH1 ARG A 53 5.410 -9.935 12.998 1.00 0.00 N ATOM 881 NH2 ARG A 53 3.297 -9.663 13.851 1.00 0.00 N ATOM 0 H ARG A 53 5.462 -8.718 5.902 1.00 0.00 H new ATOM 0 HA ARG A 53 3.604 -10.826 6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.342 -10.421 7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.918 -8.727 8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.877 -9.249 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.030 -10.957 8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.794 -11.268 10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.251 -9.576 10.406 1.00 0.00 H new ATOM 0 HE ARG A 53 2.574 -9.965 11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.030 -10.095 12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.799 -9.822 13.934 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.287 -9.614 13.714 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.691 -9.551 14.785 1.00 0.00 H new ATOM 895 N ALA A 54 2.506 -7.729 6.535 1.00 0.00 N ATOM 896 CA ALA A 54 1.301 -6.912 6.590 1.00 0.00 C ATOM 897 C ALA A 54 0.383 -7.207 5.408 1.00 0.00 C ATOM 898 O ALA A 54 -0.824 -7.382 5.577 1.00 0.00 O ATOM 899 CB ALA A 54 1.666 -5.435 6.621 1.00 0.00 C ATOM 0 H ALA A 54 3.366 -7.203 6.383 1.00 0.00 H new ATOM 0 HA ALA A 54 0.764 -7.162 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.756 -4.836 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.276 -5.229 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.228 -5.180 5.722 1.00 0.00 H new ATOM 905 N ILE A 55 0.962 -7.258 4.214 1.00 0.00 N ATOM 906 CA ILE A 55 0.195 -7.532 3.005 1.00 0.00 C ATOM 907 C ILE A 55 -0.395 -8.938 3.034 1.00 0.00 C ATOM 908 O ILE A 55 -1.576 -9.131 2.753 1.00 0.00 O ATOM 909 CB ILE A 55 1.061 -7.377 1.741 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.423 -5.907 1.521 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.333 -7.937 0.528 1.00 0.00 C ATOM 912 CD1 ILE A 55 2.753 -5.708 0.829 1.00 0.00 C ATOM 0 H ILE A 55 1.959 -7.113 4.057 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.614 -6.802 2.973 1.00 0.00 H new ATOM 0 HB ILE A 55 1.983 -7.941 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.640 -5.433 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.445 -5.399 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.958 -7.820 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.122 -8.995 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.604 -7.398 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.944 -4.642 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.546 -6.152 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.729 -6.187 -0.150 1.00 0.00 H new ATOM 924 N GLU A 56 0.438 -9.915 3.380 1.00 0.00 N ATOM 925 CA GLU A 56 -0.002 -11.304 3.447 1.00 0.00 C ATOM 926 C GLU A 56 -1.080 -11.482 4.511 1.00 0.00 C ATOM 927 O GLU A 56 -2.041 -12.229 4.320 1.00 0.00 O ATOM 928 CB GLU A 56 1.184 -12.223 3.748 1.00 0.00 C ATOM 929 CG GLU A 56 1.915 -12.701 2.504 1.00 0.00 C ATOM 930 CD GLU A 56 2.731 -13.954 2.752 1.00 0.00 C ATOM 931 OE1 GLU A 56 2.134 -15.051 2.799 1.00 0.00 O ATOM 932 OE2 GLU A 56 3.966 -13.839 2.900 1.00 0.00 O ATOM 0 H GLU A 56 1.419 -9.771 3.618 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.424 -11.572 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.887 -11.695 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.829 -13.089 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.190 -12.895 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.573 -11.909 2.147 1.00 0.00 H new ATOM 939 N THR A 57 -0.915 -10.791 5.635 1.00 0.00 N ATOM 940 CA THR A 57 -1.872 -10.873 6.731 1.00 0.00 C ATOM 941 C THR A 57 -3.093 -10.001 6.461 1.00 0.00 C ATOM 942 O THR A 57 -4.169 -10.233 7.014 1.00 0.00 O ATOM 943 CB THR A 57 -1.235 -10.445 8.066 1.00 0.00 C ATOM 944 OG1 THR A 57 -0.273 -11.420 8.484 1.00 0.00 O ATOM 945 CG2 THR A 57 -2.296 -10.280 9.144 1.00 0.00 C ATOM 0 H THR A 57 -0.127 -10.168 5.810 1.00 0.00 H new ATOM 0 HA THR A 57 -2.182 -11.916 6.803 1.00 0.00 H new ATOM 0 HB THR A 57 -0.740 -9.486 7.915 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.607 -11.189 8.120 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.822 -9.977 10.078 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.012 -9.517 8.837 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.816 -11.227 9.291 1.00 0.00 H new ATOM 953 N LEU A 58 -2.920 -8.998 5.608 1.00 0.00 N ATOM 954 CA LEU A 58 -4.009 -8.090 5.264 1.00 0.00 C ATOM 955 C LEU A 58 -4.593 -8.432 3.897 1.00 0.00 C ATOM 956 O LEU A 58 -5.684 -8.991 3.799 1.00 0.00 O ATOM 957 CB LEU A 58 -3.515 -6.642 5.271 1.00 0.00 C ATOM 958 CG LEU A 58 -3.054 -6.098 6.624 1.00 0.00 C ATOM 959 CD1 LEU A 58 -2.199 -4.854 6.435 1.00 0.00 C ATOM 960 CD2 LEU A 58 -4.251 -5.793 7.512 1.00 0.00 C ATOM 0 H LEU A 58 -2.036 -8.793 5.142 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.793 -8.204 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.687 -6.558 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.316 -6.004 4.899 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.448 -6.861 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.880 -4.481 7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.323 -5.102 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.781 -4.086 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.904 -5.407 8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.883 -5.048 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.825 -6.705 7.675 1.00 0.00 H new ATOM 972 N SER A 59 -3.855 -8.096 2.843 1.00 0.00 N ATOM 973 CA SER A 59 -4.299 -8.367 1.481 1.00 0.00 C ATOM 974 C SER A 59 -4.687 -9.834 1.318 1.00 0.00 C ATOM 975 O SER A 59 -3.858 -10.729 1.475 1.00 0.00 O ATOM 976 CB SER A 59 -3.200 -8.004 0.481 1.00 0.00 C ATOM 977 OG SER A 59 -3.645 -8.179 -0.853 1.00 0.00 O ATOM 0 H SER A 59 -2.947 -7.636 2.907 1.00 0.00 H new ATOM 0 HA SER A 59 -5.177 -7.752 1.283 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.894 -6.969 0.633 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.322 -8.625 0.659 1.00 0.00 H new ATOM 0 HG SER A 59 -2.871 -8.254 -1.449 1.00 0.00 H new ATOM 983 N GLY A 60 -5.957 -10.072 1.001 1.00 0.00 N ATOM 984 CA GLY A 60 -6.434 -11.431 0.821 1.00 0.00 C ATOM 985 C GLY A 60 -6.952 -12.038 2.110 1.00 0.00 C ATOM 986 O GLY A 60 -7.691 -13.022 2.088 1.00 0.00 O ATOM 0 H GLY A 60 -6.663 -9.348 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.228 -11.438 0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.625 -12.049 0.431 1.00 0.00 H new ATOM 990 N LYS A 61 -6.561 -11.453 3.236 1.00 0.00 N ATOM 991 CA LYS A 61 -6.989 -11.942 4.542 1.00 0.00 C ATOM 992 C LYS A 61 -7.732 -10.856 5.313 1.00 0.00 C ATOM 993 O LYS A 61 -7.877 -10.935 6.533 1.00 0.00 O ATOM 994 CB LYS A 61 -5.782 -12.422 5.350 1.00 0.00 C ATOM 995 CG LYS A 61 -5.454 -13.890 5.142 1.00 0.00 C ATOM 996 CD LYS A 61 -6.473 -14.791 5.820 1.00 0.00 C ATOM 997 CE LYS A 61 -6.192 -14.930 7.308 1.00 0.00 C ATOM 998 NZ LYS A 61 -5.009 -15.797 7.570 1.00 0.00 N ATOM 0 H LYS A 61 -5.948 -10.639 3.271 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.669 -12.779 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.913 -11.823 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.972 -12.248 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.426 -14.110 4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.460 -14.101 5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.474 -14.384 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.458 -15.775 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.022 -13.943 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.067 -15.349 7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.979 -16.047 8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.081 -16.664 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.140 -15.286 7.314 1.00 0.00 H new ATOM 1012 N VAL A 62 -8.202 -9.842 4.593 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.933 -8.741 5.210 1.00 0.00 C ATOM 1014 C VAL A 62 -9.990 -8.184 4.263 1.00 0.00 C ATOM 1015 O VAL A 62 -9.698 -7.862 3.113 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.984 -7.603 5.629 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.771 -6.341 5.949 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -7.135 -8.028 6.818 1.00 0.00 C ATOM 0 H VAL A 62 -8.090 -9.760 3.583 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.421 -9.143 6.098 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.317 -7.384 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.083 -5.548 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.330 -6.028 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.464 -6.542 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.470 -7.212 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.784 -8.275 7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.542 -8.902 6.548 1.00 0.00 H new ATOM 1028 N GLU A 63 -11.219 -8.073 4.756 1.00 0.00 N ATOM 1029 CA GLU A 63 -12.320 -7.555 3.953 1.00 0.00 C ATOM 1030 C GLU A 63 -12.763 -6.185 4.457 1.00 0.00 C ATOM 1031 O GLU A 63 -12.764 -5.924 5.660 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.502 -8.527 3.980 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.640 -8.127 3.056 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.816 -9.081 3.133 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -16.577 -9.006 4.120 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.976 -9.902 2.205 1.00 0.00 O ATOM 0 H GLU A 63 -11.477 -8.335 5.707 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.969 -7.450 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.151 -9.521 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.881 -8.597 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.975 -7.122 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.274 -8.089 2.030 1.00 0.00 H new ATOM 1043 N LEU A 64 -13.140 -5.314 3.527 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.585 -3.969 3.876 1.00 0.00 C ATOM 1045 C LEU A 64 -14.826 -3.583 3.078 1.00 0.00 C ATOM 1046 O LEU A 64 -14.796 -3.528 1.848 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.466 -2.958 3.621 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.475 -1.710 4.505 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.567 -2.096 5.973 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.233 -0.868 4.250 1.00 0.00 C ATOM 0 H LEU A 64 -13.146 -5.515 2.527 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.839 -3.960 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.510 -3.464 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.520 -2.641 2.579 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.352 -1.115 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.572 -1.195 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.485 -2.657 6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.709 -2.713 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.256 0.016 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.343 -1.455 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.210 -0.561 3.204 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.919 -3.313 3.786 1.00 0.00 N ATOM 1063 CA HIS A 65 -17.171 -2.928 3.144 1.00 0.00 C ATOM 1064 C HIS A 65 -17.707 -4.062 2.276 1.00 0.00 C ATOM 1065 O HIS A 65 -18.451 -3.831 1.324 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.969 -1.673 2.294 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.204 -0.398 3.045 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.462 0.117 3.276 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.333 0.465 3.618 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.354 1.244 3.958 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -17.074 1.477 4.179 1.00 0.00 N ATOM 0 H HIS A 65 -15.963 -3.354 4.804 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.900 -2.715 3.926 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.953 -1.671 1.899 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.643 -1.711 1.438 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.257 0.375 3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.174 1.868 4.280 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.696 2.278 4.684 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.323 -5.291 2.612 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.775 -6.443 1.854 1.00 0.00 C ATOM 1081 C GLY A 66 -16.851 -6.774 0.698 1.00 0.00 C ATOM 1082 O GLY A 66 -16.995 -7.815 0.057 1.00 0.00 O ATOM 0 H GLY A 66 -16.707 -5.508 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.846 -7.305 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.777 -6.252 1.471 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.900 -5.886 0.430 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.949 -6.087 -0.657 1.00 0.00 C ATOM 1088 C LYS A 67 -13.555 -6.382 -0.111 1.00 0.00 C ATOM 1089 O LYS A 67 -13.072 -5.694 0.788 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.904 -4.852 -1.558 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.107 -4.726 -2.478 1.00 0.00 C ATOM 1092 CD LYS A 67 -15.904 -3.634 -3.515 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.232 -3.059 -3.984 1.00 0.00 C ATOM 1094 NZ LYS A 67 -17.988 -4.024 -4.828 1.00 0.00 N ATOM 0 H LYS A 67 -15.767 -5.019 0.951 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.280 -6.944 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.839 -3.960 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.997 -4.886 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.284 -5.677 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.997 -4.507 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.291 -2.838 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.359 -4.038 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.835 -2.784 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.052 -2.145 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.886 -3.594 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.424 -4.267 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.182 -4.886 -4.280 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.914 -7.406 -0.663 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.574 -7.789 -0.233 1.00 0.00 C ATOM 1110 C ILE A 68 -10.550 -6.727 -0.615 1.00 0.00 C ATOM 1111 O ILE A 68 -10.492 -6.291 -1.765 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.151 -9.138 -0.844 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.090 -10.252 -0.374 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.712 -9.460 -0.472 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.026 -10.509 1.115 1.00 0.00 C ATOM 0 H ILE A 68 -13.300 -7.985 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.606 -7.885 0.852 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.218 -9.065 -1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.113 -9.992 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.843 -11.172 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.428 -10.416 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.055 -8.677 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.621 -9.518 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.717 -11.310 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.012 -10.800 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.302 -9.602 1.653 1.00 0.00 H new ATOM 1127 N MET A 69 -9.741 -6.317 0.356 1.00 0.00 N ATOM 1128 CA MET A 69 -8.715 -5.307 0.120 1.00 0.00 C ATOM 1129 C MET A 69 -7.454 -5.939 -0.461 1.00 0.00 C ATOM 1130 O MET A 69 -7.019 -7.000 -0.015 1.00 0.00 O ATOM 1131 CB MET A 69 -8.380 -4.575 1.421 1.00 0.00 C ATOM 1132 CG MET A 69 -7.257 -5.226 2.212 1.00 0.00 C ATOM 1133 SD MET A 69 -7.236 -4.710 3.940 1.00 0.00 S ATOM 1134 CE MET A 69 -6.565 -3.057 3.791 1.00 0.00 C ATOM 0 H MET A 69 -9.776 -6.668 1.313 1.00 0.00 H new ATOM 0 HA MET A 69 -9.106 -4.589 -0.601 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.101 -3.547 1.189 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.274 -4.530 2.044 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.363 -6.310 2.162 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.301 -4.977 1.751 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.675 -2.968 4.414 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.301 -2.864 2.751 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.310 -2.331 4.117 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.872 -5.280 -1.458 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.662 -5.778 -2.100 1.00 0.00 C ATOM 1146 C GLU A 70 -4.495 -4.821 -1.881 1.00 0.00 C ATOM 1147 O GLU A 70 -4.591 -3.629 -2.177 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.898 -5.978 -3.599 1.00 0.00 C ATOM 1149 CG GLU A 70 -6.432 -7.356 -3.952 1.00 0.00 C ATOM 1150 CD GLU A 70 -7.948 -7.413 -3.945 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -8.573 -6.680 -4.739 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -8.509 -8.191 -3.144 1.00 0.00 O ATOM 0 H GLU A 70 -7.219 -4.400 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.411 -6.738 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.601 -5.224 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.961 -5.813 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.066 -7.642 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.041 -8.086 -3.243 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.392 -5.349 -1.359 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.207 -4.543 -1.100 1.00 0.00 C ATOM 1161 C VAL A 71 -1.021 -5.026 -1.927 1.00 0.00 C ATOM 1162 O VAL A 71 -0.708 -6.216 -1.945 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.823 -4.572 0.392 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.816 -3.476 0.705 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -3.062 -4.434 1.263 1.00 0.00 C ATOM 0 H VAL A 71 -3.296 -6.333 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.453 -3.520 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.358 -5.533 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.556 -3.512 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.082 -3.625 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.251 -2.504 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.773 -4.456 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.558 -3.488 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.745 -5.258 1.057 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.366 -4.095 -2.613 1.00 0.00 N ATOM 1176 CA ASP A 72 0.787 -4.425 -3.442 1.00 0.00 C ATOM 1177 C ASP A 72 1.700 -3.216 -3.611 1.00 0.00 C ATOM 1178 O ASP A 72 1.231 -2.083 -3.733 1.00 0.00 O ATOM 1179 CB ASP A 72 0.328 -4.928 -4.812 1.00 0.00 C ATOM 1180 CG ASP A 72 1.342 -5.851 -5.459 1.00 0.00 C ATOM 1181 OD1 ASP A 72 2.476 -5.397 -5.718 1.00 0.00 O ATOM 1182 OD2 ASP A 72 1.001 -7.026 -5.707 1.00 0.00 O ATOM 0 H ASP A 72 -0.614 -3.106 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 72 1.349 -5.214 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.621 -5.454 -4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.147 -4.076 -5.467 1.00 0.00 H new ATOM 1187 N TYR A 73 3.005 -3.461 -3.613 1.00 0.00 N ATOM 1188 CA TYR A 73 3.985 -2.391 -3.762 1.00 0.00 C ATOM 1189 C TYR A 73 3.529 -1.377 -4.807 1.00 0.00 C ATOM 1190 O TYR A 73 2.787 -1.711 -5.730 1.00 0.00 O ATOM 1191 CB TYR A 73 5.346 -2.969 -4.156 1.00 0.00 C ATOM 1192 CG TYR A 73 5.694 -4.249 -3.429 1.00 0.00 C ATOM 1193 CD1 TYR A 73 5.631 -4.323 -2.043 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.085 -5.384 -4.128 1.00 0.00 C ATOM 1195 CE1 TYR A 73 5.949 -5.488 -1.374 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.404 -6.555 -3.468 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.335 -6.603 -2.091 1.00 0.00 C ATOM 1198 OH TYR A 73 6.652 -7.766 -1.430 1.00 0.00 O ATOM 0 H TYR A 73 3.410 -4.392 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 73 4.078 -1.881 -2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.354 -3.157 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.118 -2.226 -3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.328 -3.453 -1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.141 -5.350 -5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.896 -5.527 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.706 -7.428 -4.027 1.00 0.00 H new ATOM 0 HH TYR A 73 6.902 -8.455 -2.081 1.00 0.00 H new ATOM 1208 N SER A 74 3.979 -0.137 -4.652 1.00 0.00 N ATOM 1209 CA SER A 74 3.617 0.929 -5.579 1.00 0.00 C ATOM 1210 C SER A 74 4.501 0.893 -6.822 1.00 0.00 C ATOM 1211 O SER A 74 4.201 1.532 -7.830 1.00 0.00 O ATOM 1212 CB SER A 74 3.736 2.292 -4.894 1.00 0.00 C ATOM 1213 OG SER A 74 5.022 2.467 -4.327 1.00 0.00 O ATOM 0 H SER A 74 4.595 0.155 -3.893 1.00 0.00 H new ATOM 0 HA SER A 74 2.583 0.773 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.543 3.084 -5.617 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.977 2.379 -4.116 1.00 0.00 H new ATOM 0 HG SER A 74 5.058 2.023 -3.454 1.00 0.00 H new ATOM 1219 N VAL A 75 5.593 0.139 -6.742 1.00 0.00 N ATOM 1220 CA VAL A 75 6.522 0.017 -7.860 1.00 0.00 C ATOM 1221 C VAL A 75 5.995 -0.959 -8.907 1.00 0.00 C ATOM 1222 O VAL A 75 6.456 -0.968 -10.048 1.00 0.00 O ATOM 1223 CB VAL A 75 7.909 -0.453 -7.387 1.00 0.00 C ATOM 1224 CG1 VAL A 75 8.643 0.675 -6.679 1.00 0.00 C ATOM 1225 CG2 VAL A 75 7.780 -1.668 -6.481 1.00 0.00 C ATOM 0 H VAL A 75 5.856 -0.397 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 75 6.615 1.008 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 75 8.493 -0.741 -8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.622 0.323 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.769 1.513 -7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.065 0.998 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.771 -1.986 -6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.178 -1.410 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.299 -2.480 -7.027 1.00 0.00 H new ATOM 1235 N SER A 76 5.027 -1.779 -8.510 1.00 0.00 N ATOM 1236 CA SER A 76 4.441 -2.762 -9.414 1.00 0.00 C ATOM 1237 C SER A 76 3.700 -2.075 -10.556 1.00 0.00 C ATOM 1238 O SER A 76 2.671 -1.431 -10.347 1.00 0.00 O ATOM 1239 CB SER A 76 3.484 -3.680 -8.650 1.00 0.00 C ATOM 1240 OG SER A 76 4.198 -4.609 -7.852 1.00 0.00 O ATOM 0 H SER A 76 4.632 -1.782 -7.569 1.00 0.00 H new ATOM 0 HA SER A 76 5.249 -3.360 -9.836 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.828 -3.082 -8.018 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.847 -4.215 -9.355 1.00 0.00 H new ATOM 0 HG SER A 76 3.634 -4.900 -7.105 1.00 0.00 H new ATOM 1246 N LYS A 77 4.230 -2.216 -11.766 1.00 0.00 N ATOM 1247 CA LYS A 77 3.620 -1.610 -12.945 1.00 0.00 C ATOM 1248 C LYS A 77 3.461 -2.636 -14.062 1.00 0.00 C ATOM 1249 O LYS A 77 4.117 -3.678 -14.062 1.00 0.00 O ATOM 1250 CB LYS A 77 4.467 -0.434 -13.436 1.00 0.00 C ATOM 1251 CG LYS A 77 4.316 0.819 -12.591 1.00 0.00 C ATOM 1252 CD LYS A 77 3.007 1.533 -12.883 1.00 0.00 C ATOM 1253 CE LYS A 77 3.107 2.387 -14.139 1.00 0.00 C ATOM 1254 NZ LYS A 77 1.843 3.127 -14.409 1.00 0.00 N ATOM 0 H LYS A 77 5.081 -2.745 -11.957 1.00 0.00 H new ATOM 0 HA LYS A 77 2.631 -1.246 -12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.516 -0.731 -13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.192 -0.203 -14.465 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.359 0.554 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.150 1.493 -12.785 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.210 0.799 -13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.737 2.162 -12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.927 3.097 -14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.345 1.752 -14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.952 3.697 -15.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.065 2.449 -14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.629 3.753 -13.606 1.00 0.00 H new ATOM 1268 N LYS A 78 2.585 -2.335 -15.015 1.00 0.00 N ATOM 1269 CA LYS A 78 2.340 -3.230 -16.141 1.00 0.00 C ATOM 1270 C LYS A 78 3.610 -3.431 -16.961 1.00 0.00 C ATOM 1271 O LYS A 78 4.404 -2.505 -17.131 1.00 0.00 O ATOM 1272 CB LYS A 78 1.228 -2.670 -17.031 1.00 0.00 C ATOM 1273 CG LYS A 78 1.606 -1.380 -17.737 1.00 0.00 C ATOM 1274 CD LYS A 78 0.469 -0.866 -18.605 1.00 0.00 C ATOM 1275 CE LYS A 78 0.269 -1.739 -19.834 1.00 0.00 C ATOM 1276 NZ LYS A 78 -0.468 -1.020 -20.911 1.00 0.00 N ATOM 0 H LYS A 78 2.032 -1.478 -15.030 1.00 0.00 H new ATOM 0 HA LYS A 78 2.028 -4.196 -15.745 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.960 -3.418 -17.777 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.341 -2.495 -16.423 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.871 -0.624 -16.998 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.489 -1.547 -18.354 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.452 -0.839 -18.022 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.680 0.158 -18.915 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.239 -2.063 -20.211 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.281 -2.638 -19.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.584 -1.649 -21.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.404 -0.733 -20.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.069 -0.176 -21.195 1.00 0.00 H new ATOM 1290 N LEU A 79 3.794 -4.645 -17.469 1.00 0.00 N ATOM 1291 CA LEU A 79 4.967 -4.967 -18.274 1.00 0.00 C ATOM 1292 C LEU A 79 5.285 -3.838 -19.249 1.00 0.00 C ATOM 1293 O LEU A 79 4.512 -3.558 -20.165 1.00 0.00 O ATOM 1294 CB LEU A 79 4.740 -6.270 -19.043 1.00 0.00 C ATOM 1295 CG LEU A 79 5.994 -7.078 -19.380 1.00 0.00 C ATOM 1296 CD1 LEU A 79 6.822 -6.362 -20.435 1.00 0.00 C ATOM 1297 CD2 LEU A 79 6.822 -7.325 -18.127 1.00 0.00 C ATOM 0 H LEU A 79 3.146 -5.422 -17.338 1.00 0.00 H new ATOM 0 HA LEU A 79 5.815 -5.092 -17.601 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.071 -6.902 -18.458 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.223 -6.034 -19.973 1.00 0.00 H new ATOM 0 HG LEU A 79 5.684 -8.042 -19.783 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.710 -6.951 -20.662 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.228 -6.237 -21.340 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.122 -5.384 -20.060 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.710 -7.901 -18.386 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.122 -6.370 -17.695 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.228 -7.881 -17.402 1.00 0.00 H new ATOM 1309 N ARG A 80 6.430 -3.193 -19.046 1.00 0.00 N ATOM 1310 CA ARG A 80 6.851 -2.095 -19.908 1.00 0.00 C ATOM 1311 C ARG A 80 8.248 -2.348 -20.467 1.00 0.00 C ATOM 1312 O ARG A 80 9.112 -2.895 -19.782 1.00 0.00 O ATOM 1313 CB ARG A 80 6.831 -0.776 -19.134 1.00 0.00 C ATOM 1314 CG ARG A 80 7.104 0.443 -20.002 1.00 0.00 C ATOM 1315 CD ARG A 80 7.126 1.720 -19.176 1.00 0.00 C ATOM 1316 NE ARG A 80 5.802 2.331 -19.079 1.00 0.00 N ATOM 1317 CZ ARG A 80 5.521 3.350 -18.274 1.00 0.00 C ATOM 1318 NH1 ARG A 80 6.464 3.869 -17.502 1.00 0.00 N ATOM 1319 NH2 ARG A 80 4.293 3.851 -18.241 1.00 0.00 N ATOM 0 H ARG A 80 7.082 -3.412 -18.293 1.00 0.00 H new ATOM 0 HA ARG A 80 6.151 -2.031 -20.741 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.859 -0.660 -18.655 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.575 -0.820 -18.339 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.060 0.321 -20.512 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.338 0.521 -20.774 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.497 1.498 -18.175 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.821 2.430 -19.624 1.00 0.00 H new ATOM 0 HE ARG A 80 5.053 1.955 -19.661 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.409 3.486 -17.524 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.245 4.651 -16.885 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.564 3.454 -18.834 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.078 4.633 -17.623 1.00 0.00 H new ATOM 1333 N SER A 81 8.462 -1.946 -21.715 1.00 0.00 N ATOM 1334 CA SER A 81 9.752 -2.133 -22.368 1.00 0.00 C ATOM 1335 C SER A 81 9.788 -1.419 -23.717 1.00 0.00 C ATOM 1336 O SER A 81 8.769 -0.920 -24.194 1.00 0.00 O ATOM 1337 CB SER A 81 10.040 -3.623 -22.561 1.00 0.00 C ATOM 1338 OG SER A 81 11.433 -3.876 -22.573 1.00 0.00 O ATOM 0 H SER A 81 7.758 -1.488 -22.295 1.00 0.00 H new ATOM 0 HA SER A 81 10.520 -1.701 -21.727 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.571 -4.194 -21.760 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.597 -3.964 -23.497 1.00 0.00 H new ATOM 0 HG SER A 81 11.590 -4.835 -22.696 1.00 0.00 H new ATOM 1344 N SER A 82 10.970 -1.373 -24.324 1.00 0.00 N ATOM 1345 CA SER A 82 11.140 -0.717 -25.614 1.00 0.00 C ATOM 1346 C SER A 82 12.369 -1.257 -26.341 1.00 0.00 C ATOM 1347 O SER A 82 13.503 -0.967 -25.965 1.00 0.00 O ATOM 1348 CB SER A 82 11.268 0.797 -25.428 1.00 0.00 C ATOM 1349 OG SER A 82 9.997 1.422 -25.445 1.00 0.00 O ATOM 0 H SER A 82 11.823 -1.782 -23.943 1.00 0.00 H new ATOM 0 HA SER A 82 10.259 -0.928 -26.220 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.769 1.009 -24.483 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.892 1.212 -26.220 1.00 0.00 H new ATOM 0 HG SER A 82 9.330 0.819 -25.055 1.00 0.00 H new ATOM 1355 N GLY A 83 12.131 -2.046 -27.385 1.00 0.00 N ATOM 1356 CA GLY A 83 13.226 -2.616 -28.148 1.00 0.00 C ATOM 1357 C GLY A 83 14.254 -1.577 -28.551 1.00 0.00 C ATOM 1358 O GLY A 83 14.012 -0.372 -28.478 1.00 0.00 O ATOM 0 H GLY A 83 11.200 -2.300 -27.715 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.711 -3.393 -27.557 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.830 -3.097 -29.042 1.00 0.00 H new ATOM 1362 N PRO A 84 15.433 -2.044 -28.987 1.00 0.00 N ATOM 1363 CA PRO A 84 16.526 -1.163 -29.411 1.00 0.00 C ATOM 1364 C PRO A 84 16.215 -0.444 -30.720 1.00 0.00 C ATOM 1365 O PRO A 84 15.229 -0.751 -31.389 1.00 0.00 O ATOM 1366 CB PRO A 84 17.704 -2.122 -29.594 1.00 0.00 C ATOM 1367 CG PRO A 84 17.077 -3.443 -29.880 1.00 0.00 C ATOM 1368 CD PRO A 84 15.791 -3.468 -29.100 1.00 0.00 C ATOM 0 HA PRO A 84 16.714 -0.369 -28.688 1.00 0.00 H new ATOM 0 HB2 PRO A 84 18.349 -1.805 -30.413 1.00 0.00 H new ATOM 0 HB3 PRO A 84 18.323 -2.164 -28.698 1.00 0.00 H new ATOM 0 HG2 PRO A 84 16.889 -3.563 -30.947 1.00 0.00 H new ATOM 0 HG3 PRO A 84 17.733 -4.260 -29.578 1.00 0.00 H new ATOM 0 HD2 PRO A 84 15.018 -4.037 -29.617 1.00 0.00 H new ATOM 0 HD3 PRO A 84 15.924 -3.928 -28.121 1.00 0.00 H new ATOM 1376 N SER A 85 17.063 0.515 -31.078 1.00 0.00 N ATOM 1377 CA SER A 85 16.877 1.280 -32.306 1.00 0.00 C ATOM 1378 C SER A 85 18.143 1.257 -33.157 1.00 0.00 C ATOM 1379 O SER A 85 19.209 0.850 -32.694 1.00 0.00 O ATOM 1380 CB SER A 85 16.496 2.724 -31.978 1.00 0.00 C ATOM 1381 OG SER A 85 15.259 2.782 -31.289 1.00 0.00 O ATOM 0 H SER A 85 17.885 0.781 -30.536 1.00 0.00 H new ATOM 0 HA SER A 85 16.070 0.818 -32.874 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.277 3.180 -31.369 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.430 3.304 -32.899 1.00 0.00 H new ATOM 0 HG SER A 85 15.039 3.716 -31.090 1.00 0.00 H new ATOM 1387 N SER A 86 18.018 1.698 -34.405 1.00 0.00 N ATOM 1388 CA SER A 86 19.150 1.724 -35.323 1.00 0.00 C ATOM 1389 C SER A 86 19.674 3.147 -35.498 1.00 0.00 C ATOM 1390 O SER A 86 19.107 3.940 -36.248 1.00 0.00 O ATOM 1391 CB SER A 86 18.747 1.146 -36.680 1.00 0.00 C ATOM 1392 OG SER A 86 18.869 -0.265 -36.691 1.00 0.00 O ATOM 0 H SER A 86 17.144 2.042 -34.803 1.00 0.00 H new ATOM 0 HA SER A 86 19.945 1.112 -34.898 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.719 1.427 -36.907 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.374 1.574 -37.462 1.00 0.00 H new ATOM 0 HG SER A 86 18.604 -0.609 -37.569 1.00 0.00 H new ATOM 1398 N GLY A 87 20.760 3.461 -34.800 1.00 0.00 N ATOM 1399 CA GLY A 87 21.343 4.787 -34.890 1.00 0.00 C ATOM 1400 C GLY A 87 20.333 5.884 -34.620 1.00 0.00 C ATOM 1401 O GLY A 87 19.494 5.758 -33.727 1.00 0.00 O ATOM 0 H GLY A 87 21.247 2.821 -34.173 1.00 0.00 H new ATOM 0 HA2 GLY A 87 22.163 4.869 -34.177 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.769 4.926 -35.883 1.00 0.00 H new TER 1405 GLY A 87