USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 693 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 73 CYS SG : rot -71:sc= 0.795 USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= 0.771 F(o=1,f=1.6) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -141:sc= 0 (180deg=0) USER MOD Set 2.2: A 57 ASN : amide:sc= -2.71! C(o=-2.7!,f=-3.5!) USER MOD Set 3.1: A 14 SER OG : rot -30:sc= 0.851 USER MOD Set 3.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.087 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -36:sc= 0.434 USER MOD Single : A 21 CYS SG : rot 170:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.617) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00271 USER MOD Single : A 30 GLN :FLIP amide:sc= -1.8 F(o=-3.3!,f=-1.8) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00409) USER MOD Single : A 41 CYS SG : rot -130:sc= -2.37! USER MOD Single : A 43 GLN : amide:sc= 0.045 K(o=0.045,f=-0.53) USER MOD Single : A 44 ASN : amide:sc= -2.9 K(o=-2.9,f=-12!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.422 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -90:sc= 0.402 USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= -0.077 (180deg=-0.472) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -1.45 X(o=-1.4,f=-1.8!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0155 F(o=-0.97,f=-0.015) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -42:sc= 0.875 USER MOD Single : A 92 SER OG : rot -58:sc= 0.089 USER MOD Single : A 93 SER OG : rot 72:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.301 16.824 -37.485 1.00 0.00 N ATOM 2 CA GLY A 1 1.274 17.765 -36.381 1.00 0.00 C ATOM 3 C GLY A 1 2.519 17.684 -35.520 1.00 0.00 C ATOM 4 O GLY A 1 3.310 16.749 -35.646 1.00 0.00 O ATOM 0 H1 GLY A 1 1.347 17.345 -38.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.136 16.210 -37.398 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.440 16.241 -37.466 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.172 18.777 -36.773 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.396 17.572 -35.764 1.00 0.00 H new ATOM 8 N SER A 2 2.696 18.667 -34.643 1.00 0.00 N ATOM 9 CA SER A 2 3.857 18.707 -33.762 1.00 0.00 C ATOM 10 C SER A 2 3.568 17.984 -32.450 1.00 0.00 C ATOM 11 O SER A 2 2.722 18.413 -31.666 1.00 0.00 O ATOM 12 CB SER A 2 4.262 20.155 -33.481 1.00 0.00 C ATOM 13 OG SER A 2 5.643 20.249 -33.178 1.00 0.00 O ATOM 0 H SER A 2 2.050 19.447 -34.524 1.00 0.00 H new ATOM 0 HA SER A 2 4.680 18.198 -34.264 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.034 20.774 -34.348 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.676 20.545 -32.648 1.00 0.00 H new ATOM 0 HG SER A 2 5.877 21.185 -33.004 1.00 0.00 H new ATOM 19 N SER A 3 4.277 16.884 -32.219 1.00 0.00 N ATOM 20 CA SER A 3 4.095 16.098 -31.004 1.00 0.00 C ATOM 21 C SER A 3 4.585 16.867 -29.781 1.00 0.00 C ATOM 22 O SER A 3 5.644 17.493 -29.811 1.00 0.00 O ATOM 23 CB SER A 3 4.841 14.767 -31.117 1.00 0.00 C ATOM 24 OG SER A 3 4.226 13.769 -30.319 1.00 0.00 O ATOM 0 H SER A 3 4.983 16.517 -32.857 1.00 0.00 H new ATOM 0 HA SER A 3 3.030 15.901 -30.884 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.860 14.444 -32.158 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.877 14.899 -30.805 1.00 0.00 H new ATOM 0 HG SER A 3 4.720 12.927 -30.409 1.00 0.00 H new ATOM 30 N GLY A 4 3.806 16.814 -28.705 1.00 0.00 N ATOM 31 CA GLY A 4 4.176 17.510 -27.487 1.00 0.00 C ATOM 32 C GLY A 4 5.542 17.096 -26.975 1.00 0.00 C ATOM 33 O GLY A 4 6.038 16.021 -27.310 1.00 0.00 O ATOM 0 H GLY A 4 2.925 16.302 -28.655 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.170 18.584 -27.670 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.428 17.314 -26.718 1.00 0.00 H new ATOM 37 N SER A 5 6.152 17.953 -26.163 1.00 0.00 N ATOM 38 CA SER A 5 7.472 17.674 -25.609 1.00 0.00 C ATOM 39 C SER A 5 7.357 17.018 -24.236 1.00 0.00 C ATOM 40 O SER A 5 6.440 17.313 -23.470 1.00 0.00 O ATOM 41 CB SER A 5 8.288 18.964 -25.504 1.00 0.00 C ATOM 42 OG SER A 5 7.860 19.750 -24.405 1.00 0.00 O ATOM 0 H SER A 5 5.754 18.846 -25.874 1.00 0.00 H new ATOM 0 HA SER A 5 7.982 16.984 -26.281 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.345 18.721 -25.392 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.188 19.537 -26.426 1.00 0.00 H new ATOM 0 HG SER A 5 8.398 20.568 -24.359 1.00 0.00 H new ATOM 48 N SER A 6 8.295 16.127 -23.932 1.00 0.00 N ATOM 49 CA SER A 6 8.298 15.426 -22.654 1.00 0.00 C ATOM 50 C SER A 6 9.409 15.951 -21.749 1.00 0.00 C ATOM 51 O SER A 6 10.506 16.263 -22.211 1.00 0.00 O ATOM 52 CB SER A 6 8.472 13.922 -22.873 1.00 0.00 C ATOM 53 OG SER A 6 7.224 13.294 -23.109 1.00 0.00 O ATOM 0 H SER A 6 9.063 15.874 -24.554 1.00 0.00 H new ATOM 0 HA SER A 6 7.340 15.607 -22.167 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.136 13.749 -23.720 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.947 13.477 -21.999 1.00 0.00 H new ATOM 0 HG SER A 6 7.362 12.334 -23.248 1.00 0.00 H new ATOM 59 N GLY A 7 9.116 16.045 -20.456 1.00 0.00 N ATOM 60 CA GLY A 7 10.099 16.532 -19.506 1.00 0.00 C ATOM 61 C GLY A 7 10.369 15.541 -18.391 1.00 0.00 C ATOM 62 O GLY A 7 10.958 14.485 -18.620 1.00 0.00 O ATOM 0 H GLY A 7 8.215 15.793 -20.049 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.030 16.747 -20.030 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.750 17.471 -19.077 1.00 0.00 H new ATOM 66 N ASN A 8 9.938 15.882 -17.181 1.00 0.00 N ATOM 67 CA ASN A 8 10.139 15.014 -16.026 1.00 0.00 C ATOM 68 C ASN A 8 9.128 15.328 -14.927 1.00 0.00 C ATOM 69 O ASN A 8 9.119 16.427 -14.373 1.00 0.00 O ATOM 70 CB ASN A 8 11.561 15.172 -15.485 1.00 0.00 C ATOM 71 CG ASN A 8 11.843 14.244 -14.319 1.00 0.00 C ATOM 72 OD1 ASN A 8 11.927 13.027 -14.486 1.00 0.00 O ATOM 73 ND2 ASN A 8 11.989 14.816 -13.129 1.00 0.00 N ATOM 0 H ASN A 8 9.448 16.752 -16.975 1.00 0.00 H new ATOM 0 HA ASN A 8 9.992 13.983 -16.348 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.275 14.974 -16.284 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.714 16.204 -15.170 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.179 14.242 -12.307 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.911 15.829 -13.037 1.00 0.00 H new ATOM 80 N ASP A 9 8.278 14.355 -14.618 1.00 0.00 N ATOM 81 CA ASP A 9 7.263 14.526 -13.585 1.00 0.00 C ATOM 82 C ASP A 9 7.491 13.553 -12.433 1.00 0.00 C ATOM 83 O ASP A 9 7.849 12.395 -12.647 1.00 0.00 O ATOM 84 CB ASP A 9 5.866 14.321 -14.173 1.00 0.00 C ATOM 85 CG ASP A 9 5.437 15.472 -15.062 1.00 0.00 C ATOM 86 OD1 ASP A 9 6.323 16.162 -15.608 1.00 0.00 O ATOM 87 OD2 ASP A 9 4.215 15.682 -15.212 1.00 0.00 O ATOM 0 H ASP A 9 8.272 13.440 -15.068 1.00 0.00 H new ATOM 0 HA ASP A 9 7.341 15.543 -13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.850 13.396 -14.749 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.147 14.205 -13.362 1.00 0.00 H new ATOM 92 N ALA A 10 7.282 14.031 -11.211 1.00 0.00 N ATOM 93 CA ALA A 10 7.465 13.203 -10.025 1.00 0.00 C ATOM 94 C ALA A 10 6.188 12.442 -9.685 1.00 0.00 C ATOM 95 O ALA A 10 5.086 12.878 -10.019 1.00 0.00 O ATOM 96 CB ALA A 10 7.900 14.060 -8.845 1.00 0.00 C ATOM 0 H ALA A 10 6.986 14.987 -11.016 1.00 0.00 H new ATOM 0 HA ALA A 10 8.246 12.474 -10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.033 13.429 -7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.842 14.555 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.137 14.811 -8.640 1.00 0.00 H new ATOM 102 N VAL A 11 6.343 11.302 -9.020 1.00 0.00 N ATOM 103 CA VAL A 11 5.202 10.480 -8.635 1.00 0.00 C ATOM 104 C VAL A 11 4.079 11.334 -8.057 1.00 0.00 C ATOM 105 O VAL A 11 2.900 11.019 -8.218 1.00 0.00 O ATOM 106 CB VAL A 11 5.603 9.411 -7.601 1.00 0.00 C ATOM 107 CG1 VAL A 11 6.538 8.387 -8.226 1.00 0.00 C ATOM 108 CG2 VAL A 11 6.248 10.062 -6.386 1.00 0.00 C ATOM 0 H VAL A 11 7.248 10.926 -8.736 1.00 0.00 H new ATOM 0 HA VAL A 11 4.849 9.985 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 11 4.703 8.892 -7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.810 7.640 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.037 7.899 -9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.438 8.887 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.525 9.293 -5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.140 10.607 -6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.542 10.753 -5.926 1.00 0.00 H new ATOM 118 N ASP A 12 4.454 12.417 -7.385 1.00 0.00 N ATOM 119 CA ASP A 12 3.478 13.319 -6.783 1.00 0.00 C ATOM 120 C ASP A 12 2.379 13.673 -7.780 1.00 0.00 C ATOM 121 O ASP A 12 1.205 13.759 -7.421 1.00 0.00 O ATOM 122 CB ASP A 12 4.166 14.592 -6.290 1.00 0.00 C ATOM 123 CG ASP A 12 4.891 14.386 -4.974 1.00 0.00 C ATOM 124 OD1 ASP A 12 5.692 13.433 -4.882 1.00 0.00 O ATOM 125 OD2 ASP A 12 4.658 15.178 -4.037 1.00 0.00 O ATOM 0 H ASP A 12 5.426 12.692 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 12 3.023 12.809 -5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.876 14.933 -7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.423 15.381 -6.173 1.00 0.00 H new ATOM 130 N PHE A 13 2.768 13.878 -9.034 1.00 0.00 N ATOM 131 CA PHE A 13 1.816 14.225 -10.083 1.00 0.00 C ATOM 132 C PHE A 13 0.932 13.032 -10.432 1.00 0.00 C ATOM 133 O PHE A 13 -0.293 13.107 -10.346 1.00 0.00 O ATOM 134 CB PHE A 13 2.556 14.710 -11.332 1.00 0.00 C ATOM 135 CG PHE A 13 1.652 15.320 -12.365 1.00 0.00 C ATOM 136 CD1 PHE A 13 1.051 14.530 -13.332 1.00 0.00 C ATOM 137 CD2 PHE A 13 1.402 16.682 -12.368 1.00 0.00 C ATOM 138 CE1 PHE A 13 0.219 15.089 -14.284 1.00 0.00 C ATOM 139 CE2 PHE A 13 0.571 17.247 -13.317 1.00 0.00 C ATOM 140 CZ PHE A 13 -0.022 16.449 -14.276 1.00 0.00 C ATOM 0 H PHE A 13 3.736 13.810 -9.349 1.00 0.00 H new ATOM 0 HA PHE A 13 1.180 15.028 -9.711 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.306 15.444 -11.038 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.089 13.870 -11.778 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.235 13.466 -13.342 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.862 17.310 -11.620 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.242 14.463 -15.033 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.386 18.311 -13.309 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.673 16.888 -15.018 1.00 0.00 H new ATOM 150 N SER A 14 1.564 11.931 -10.827 1.00 0.00 N ATOM 151 CA SER A 14 0.836 10.721 -11.193 1.00 0.00 C ATOM 152 C SER A 14 -0.118 10.302 -10.079 1.00 0.00 C ATOM 153 O SER A 14 0.223 10.321 -8.896 1.00 0.00 O ATOM 154 CB SER A 14 1.814 9.585 -11.498 1.00 0.00 C ATOM 155 OG SER A 14 2.466 9.144 -10.320 1.00 0.00 O ATOM 0 H SER A 14 2.578 11.852 -10.902 1.00 0.00 H new ATOM 0 HA SER A 14 0.250 10.936 -12.087 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.279 8.753 -11.954 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.555 9.923 -12.223 1.00 0.00 H new ATOM 0 HG SER A 14 2.546 9.891 -9.691 1.00 0.00 H new ATOM 161 N PRO A 15 -1.342 9.914 -10.464 1.00 0.00 N ATOM 162 CA PRO A 15 -2.371 9.482 -9.513 1.00 0.00 C ATOM 163 C PRO A 15 -2.040 8.139 -8.871 1.00 0.00 C ATOM 164 O PRO A 15 -2.824 7.604 -8.086 1.00 0.00 O ATOM 165 CB PRO A 15 -3.628 9.366 -10.379 1.00 0.00 C ATOM 166 CG PRO A 15 -3.117 9.119 -11.756 1.00 0.00 C ATOM 167 CD PRO A 15 -1.817 9.867 -11.857 1.00 0.00 C ATOM 0 HA PRO A 15 -2.474 10.177 -8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.267 8.550 -10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.224 10.277 -10.335 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.969 8.054 -11.932 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.828 9.469 -12.504 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.108 9.354 -12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.959 10.867 -12.267 1.00 0.00 H new ATOM 175 N THR A 16 -0.875 7.598 -9.210 1.00 0.00 N ATOM 176 CA THR A 16 -0.440 6.316 -8.668 1.00 0.00 C ATOM 177 C THR A 16 0.852 6.465 -7.873 1.00 0.00 C ATOM 178 O THR A 16 1.749 7.212 -8.263 1.00 0.00 O ATOM 179 CB THR A 16 -0.226 5.277 -9.785 1.00 0.00 C ATOM 180 OG1 THR A 16 0.781 5.735 -10.694 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.521 5.021 -10.541 1.00 0.00 C ATOM 0 H THR A 16 -0.215 8.028 -9.858 1.00 0.00 H new ATOM 0 HA THR A 16 -1.233 5.968 -8.006 1.00 0.00 H new ATOM 0 HB THR A 16 0.098 4.343 -9.325 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.912 5.068 -11.400 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.345 4.284 -11.325 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.276 4.644 -9.851 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.871 5.951 -10.989 1.00 0.00 H new ATOM 189 N LEU A 17 0.940 5.750 -6.757 1.00 0.00 N ATOM 190 CA LEU A 17 2.125 5.802 -5.907 1.00 0.00 C ATOM 191 C LEU A 17 2.557 4.400 -5.490 1.00 0.00 C ATOM 192 O LEU A 17 1.740 3.553 -5.128 1.00 0.00 O ATOM 193 CB LEU A 17 1.850 6.655 -4.667 1.00 0.00 C ATOM 194 CG LEU A 17 1.287 8.047 -4.951 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.931 8.755 -3.653 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.284 8.871 -5.752 1.00 0.00 C ATOM 0 H LEU A 17 0.206 5.128 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 17 2.934 6.256 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.150 6.121 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.778 6.763 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 17 0.378 7.936 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.532 9.744 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.182 8.174 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.824 8.855 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.867 9.859 -5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.210 8.972 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.490 8.373 -6.699 1.00 0.00 H new ATOM 208 N PRO A 18 3.873 4.147 -5.541 1.00 0.00 N ATOM 209 CA PRO A 18 4.445 2.849 -5.171 1.00 0.00 C ATOM 210 C PRO A 18 4.352 2.580 -3.673 1.00 0.00 C ATOM 211 O PRO A 18 5.012 3.241 -2.871 1.00 0.00 O ATOM 212 CB PRO A 18 5.908 2.970 -5.602 1.00 0.00 C ATOM 213 CG PRO A 18 6.191 4.433 -5.577 1.00 0.00 C ATOM 214 CD PRO A 18 4.905 5.110 -5.962 1.00 0.00 C ATOM 0 HA PRO A 18 3.915 2.021 -5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.567 2.428 -4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.063 2.554 -6.597 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.518 4.750 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.990 4.688 -6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.789 6.069 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.859 5.306 -7.033 1.00 0.00 H new ATOM 222 N VAL A 19 3.528 1.605 -3.302 1.00 0.00 N ATOM 223 CA VAL A 19 3.350 1.247 -1.900 1.00 0.00 C ATOM 224 C VAL A 19 3.858 -0.164 -1.623 1.00 0.00 C ATOM 225 O VAL A 19 4.001 -0.975 -2.539 1.00 0.00 O ATOM 226 CB VAL A 19 1.870 1.340 -1.480 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.368 2.770 -1.606 1.00 0.00 C ATOM 228 CG2 VAL A 19 1.021 0.392 -2.313 1.00 0.00 C ATOM 0 H VAL A 19 2.973 1.049 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 19 3.932 1.960 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 19 1.787 1.043 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.321 2.816 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.959 3.421 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.463 3.099 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.021 0.470 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.108 0.657 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.367 -0.631 -2.166 1.00 0.00 H new ATOM 238 N THR A 20 4.128 -0.452 -0.354 1.00 0.00 N ATOM 239 CA THR A 20 4.621 -1.764 0.044 1.00 0.00 C ATOM 240 C THR A 20 4.214 -2.094 1.475 1.00 0.00 C ATOM 241 O THR A 20 4.340 -1.261 2.374 1.00 0.00 O ATOM 242 CB THR A 20 6.154 -1.848 -0.074 1.00 0.00 C ATOM 243 OG1 THR A 20 6.762 -0.797 0.685 1.00 0.00 O ATOM 244 CG2 THR A 20 6.591 -1.749 -1.528 1.00 0.00 C ATOM 0 H THR A 20 4.013 0.207 0.416 1.00 0.00 H new ATOM 0 HA THR A 20 4.172 -2.489 -0.635 1.00 0.00 H new ATOM 0 HB THR A 20 6.475 -2.812 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.206 0.008 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.678 -1.811 -1.586 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.150 -2.567 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.259 -0.798 -1.944 1.00 0.00 H new ATOM 252 N CYS A 21 3.726 -3.312 1.681 1.00 0.00 N ATOM 253 CA CYS A 21 3.300 -3.751 3.005 1.00 0.00 C ATOM 254 C CYS A 21 3.886 -5.119 3.339 1.00 0.00 C ATOM 255 O CYS A 21 3.421 -6.144 2.841 1.00 0.00 O ATOM 256 CB CYS A 21 1.773 -3.805 3.081 1.00 0.00 C ATOM 257 SG CYS A 21 1.122 -3.934 4.763 1.00 0.00 S ATOM 0 H CYS A 21 3.615 -4.013 0.948 1.00 0.00 H new ATOM 0 HA CYS A 21 3.668 -3.030 3.735 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.365 -2.910 2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.421 -4.657 2.500 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.166 -3.759 4.744 1.00 0.00 H new ATOM 263 N GLY A 22 4.913 -5.128 4.184 1.00 0.00 N ATOM 264 CA GLY A 22 5.547 -6.375 4.568 1.00 0.00 C ATOM 265 C GLY A 22 6.205 -7.076 3.396 1.00 0.00 C ATOM 266 O GLY A 22 7.223 -6.616 2.879 1.00 0.00 O ATOM 0 H GLY A 22 5.317 -4.293 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.295 -6.177 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.802 -7.036 5.011 1.00 0.00 H new ATOM 270 N LYS A 23 5.623 -8.194 2.975 1.00 0.00 N ATOM 271 CA LYS A 23 6.158 -8.961 1.857 1.00 0.00 C ATOM 272 C LYS A 23 5.301 -8.775 0.609 1.00 0.00 C ATOM 273 O LYS A 23 5.395 -9.550 -0.342 1.00 0.00 O ATOM 274 CB LYS A 23 6.233 -10.446 2.220 1.00 0.00 C ATOM 275 CG LYS A 23 4.873 -11.095 2.412 1.00 0.00 C ATOM 276 CD LYS A 23 4.964 -12.610 2.351 1.00 0.00 C ATOM 277 CE LYS A 23 3.656 -13.229 1.882 1.00 0.00 C ATOM 278 NZ LYS A 23 3.854 -14.605 1.347 1.00 0.00 N ATOM 0 H LYS A 23 4.780 -8.589 3.392 1.00 0.00 H new ATOM 0 HA LYS A 23 7.162 -8.594 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.772 -10.977 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.813 -10.559 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.457 -10.793 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.188 -10.740 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.768 -12.900 1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.220 -13.000 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.951 -13.260 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.212 -12.600 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.940 -14.992 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.507 -14.572 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.254 -15.212 2.091 1.00 0.00 H new ATOM 292 N ALA A 24 4.466 -7.741 0.620 1.00 0.00 N ATOM 293 CA ALA A 24 3.595 -7.451 -0.512 1.00 0.00 C ATOM 294 C ALA A 24 3.991 -6.143 -1.190 1.00 0.00 C ATOM 295 O ALA A 24 4.547 -5.247 -0.555 1.00 0.00 O ATOM 296 CB ALA A 24 2.143 -7.394 -0.060 1.00 0.00 C ATOM 0 H ALA A 24 4.375 -7.090 1.400 1.00 0.00 H new ATOM 0 HA ALA A 24 3.707 -8.255 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.504 -7.177 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.858 -8.354 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.026 -6.611 0.689 1.00 0.00 H new ATOM 302 N LYS A 25 3.703 -6.041 -2.483 1.00 0.00 N ATOM 303 CA LYS A 25 4.029 -4.843 -3.247 1.00 0.00 C ATOM 304 C LYS A 25 2.946 -4.545 -4.279 1.00 0.00 C ATOM 305 O LYS A 25 2.464 -5.444 -4.965 1.00 0.00 O ATOM 306 CB LYS A 25 5.381 -5.011 -3.946 1.00 0.00 C ATOM 307 CG LYS A 25 6.510 -5.392 -3.003 1.00 0.00 C ATOM 308 CD LYS A 25 7.685 -5.994 -3.755 1.00 0.00 C ATOM 309 CE LYS A 25 8.626 -4.917 -4.273 1.00 0.00 C ATOM 310 NZ LYS A 25 8.168 -4.360 -5.576 1.00 0.00 N ATOM 0 H LYS A 25 3.244 -6.774 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 25 4.087 -4.004 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.289 -5.776 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.638 -4.079 -4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.841 -4.510 -2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.144 -6.107 -2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.231 -6.670 -3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.317 -6.590 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.697 -4.114 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.627 -5.334 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.992 -4.051 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.650 -5.092 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.541 -3.548 -5.405 1.00 0.00 H new ATOM 324 N GLY A 26 2.568 -3.274 -4.383 1.00 0.00 N ATOM 325 CA GLY A 26 1.545 -2.880 -5.334 1.00 0.00 C ATOM 326 C GLY A 26 1.608 -1.404 -5.673 1.00 0.00 C ATOM 327 O GLY A 26 2.677 -0.793 -5.631 1.00 0.00 O ATOM 0 H GLY A 26 2.952 -2.511 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.657 -3.465 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.562 -3.114 -4.924 1.00 0.00 H new ATOM 331 N THR A 27 0.459 -0.827 -6.014 1.00 0.00 N ATOM 332 CA THR A 27 0.388 0.585 -6.365 1.00 0.00 C ATOM 333 C THR A 27 -0.957 1.184 -5.968 1.00 0.00 C ATOM 334 O THR A 27 -2.011 0.667 -6.338 1.00 0.00 O ATOM 335 CB THR A 27 0.607 0.800 -7.875 1.00 0.00 C ATOM 336 OG1 THR A 27 1.869 0.251 -8.270 1.00 0.00 O ATOM 337 CG2 THR A 27 0.561 2.281 -8.223 1.00 0.00 C ATOM 0 H THR A 27 -0.435 -1.317 -6.054 1.00 0.00 H new ATOM 0 HA THR A 27 1.183 1.088 -5.814 1.00 0.00 H new ATOM 0 HB THR A 27 -0.194 0.292 -8.412 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.000 0.390 -9.231 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.718 2.408 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.411 2.689 -7.948 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.343 2.808 -7.677 1.00 0.00 H new ATOM 345 N LEU A 28 -0.913 2.276 -5.213 1.00 0.00 N ATOM 346 CA LEU A 28 -2.129 2.946 -4.766 1.00 0.00 C ATOM 347 C LEU A 28 -2.566 4.008 -5.770 1.00 0.00 C ATOM 348 O LEU A 28 -1.763 4.831 -6.208 1.00 0.00 O ATOM 349 CB LEU A 28 -1.909 3.584 -3.393 1.00 0.00 C ATOM 350 CG LEU A 28 -3.034 4.503 -2.918 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.062 3.720 -2.116 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.473 5.650 -2.091 1.00 0.00 C ATOM 0 H LEU A 28 -0.049 2.716 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.919 2.199 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.774 2.790 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.981 4.155 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.529 4.921 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.855 4.392 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.488 2.934 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.581 3.273 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.288 6.294 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.952 5.250 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.776 6.229 -2.697 1.00 0.00 H new ATOM 364 N PHE A 29 -3.845 3.983 -6.129 1.00 0.00 N ATOM 365 CA PHE A 29 -4.390 4.943 -7.083 1.00 0.00 C ATOM 366 C PHE A 29 -5.289 5.956 -6.380 1.00 0.00 C ATOM 367 O PHE A 29 -6.437 5.659 -6.052 1.00 0.00 O ATOM 368 CB PHE A 29 -5.177 4.217 -8.176 1.00 0.00 C ATOM 369 CG PHE A 29 -4.310 3.425 -9.113 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.472 2.433 -8.631 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.334 3.673 -10.476 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.673 1.704 -9.491 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.538 2.946 -11.341 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.707 1.960 -10.848 1.00 0.00 C ATOM 0 H PHE A 29 -4.524 3.309 -5.774 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.557 5.478 -7.540 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.899 3.548 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.745 4.949 -8.750 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.443 2.227 -7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.982 4.443 -10.867 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.022 0.935 -9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.566 3.149 -12.401 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.085 1.390 -11.522 1.00 0.00 H new ATOM 384 N GLN A 30 -4.757 7.153 -6.154 1.00 0.00 N ATOM 385 CA GLN A 30 -5.511 8.209 -5.489 1.00 0.00 C ATOM 386 C GLN A 30 -6.946 8.261 -6.005 1.00 0.00 C ATOM 387 O GLN A 30 -7.880 8.503 -5.242 1.00 0.00 O ATOM 388 CB GLN A 30 -4.830 9.562 -5.704 1.00 0.00 C ATOM 389 CG GLN A 30 -3.313 9.496 -5.647 1.00 0.00 C ATOM 390 CD GLN A 30 -2.687 10.805 -5.209 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.033 10.792 -4.053 1.00 0.00 O flip ATOM 392 NE2 GLN A 30 -2.790 11.818 -5.902 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.808 7.415 -6.421 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.536 7.987 -4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.132 9.961 -6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.184 10.262 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.013 8.706 -4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.928 9.225 -6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.302 11.783 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.364 12.692 -5.594 1.00 0.00 H new ATOM 401 N GLU A 31 -7.111 8.033 -7.304 1.00 0.00 N ATOM 402 CA GLU A 31 -8.432 8.056 -7.920 1.00 0.00 C ATOM 403 C GLU A 31 -9.317 6.951 -7.351 1.00 0.00 C ATOM 404 O GLU A 31 -10.485 7.176 -7.032 1.00 0.00 O ATOM 405 CB GLU A 31 -8.314 7.899 -9.438 1.00 0.00 C ATOM 406 CG GLU A 31 -7.699 6.577 -9.867 1.00 0.00 C ATOM 407 CD GLU A 31 -7.676 6.406 -11.373 1.00 0.00 C ATOM 408 OE1 GLU A 31 -8.546 6.994 -12.050 1.00 0.00 O ATOM 409 OE2 GLU A 31 -6.790 5.684 -11.876 1.00 0.00 O ATOM 0 H GLU A 31 -6.347 7.831 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.893 9.018 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.305 7.990 -9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.711 8.716 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.681 6.512 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.261 5.757 -9.421 1.00 0.00 H new ATOM 416 N LYS A 32 -8.753 5.754 -7.226 1.00 0.00 N ATOM 417 CA LYS A 32 -9.488 4.613 -6.695 1.00 0.00 C ATOM 418 C LYS A 32 -9.516 4.645 -5.170 1.00 0.00 C ATOM 419 O LYS A 32 -10.181 3.828 -4.534 1.00 0.00 O ATOM 420 CB LYS A 32 -8.856 3.304 -7.176 1.00 0.00 C ATOM 421 CG LYS A 32 -9.342 2.861 -8.545 1.00 0.00 C ATOM 422 CD LYS A 32 -8.273 2.079 -9.290 1.00 0.00 C ATOM 423 CE LYS A 32 -8.617 1.931 -10.764 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.836 1.100 -10.969 1.00 0.00 N ATOM 0 H LYS A 32 -7.788 5.549 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.513 4.671 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.773 3.422 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.071 2.519 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.234 2.244 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.629 3.734 -9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.313 2.585 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.162 1.092 -8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.772 2.917 -11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.776 1.478 -11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.037 1.023 -11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.679 0.151 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.644 1.545 -10.489 1.00 0.00 H new ATOM 438 N LEU A 33 -8.792 5.596 -4.590 1.00 0.00 N ATOM 439 CA LEU A 33 -8.735 5.737 -3.139 1.00 0.00 C ATOM 440 C LEU A 33 -9.710 6.806 -2.658 1.00 0.00 C ATOM 441 O LEU A 33 -10.371 6.644 -1.632 1.00 0.00 O ATOM 442 CB LEU A 33 -7.313 6.088 -2.695 1.00 0.00 C ATOM 443 CG LEU A 33 -7.086 6.076 -1.184 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.361 4.694 -0.612 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.668 6.518 -0.855 1.00 0.00 C ATOM 0 H LEU A 33 -8.236 6.281 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.021 4.784 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.620 5.384 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.063 7.078 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.781 6.780 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.194 4.706 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.395 4.415 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.692 3.969 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.524 6.504 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.957 5.839 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.506 7.529 -1.229 1.00 0.00 H new ATOM 457 N LYS A 34 -9.794 7.901 -3.406 1.00 0.00 N ATOM 458 CA LYS A 34 -10.688 8.999 -3.058 1.00 0.00 C ATOM 459 C LYS A 34 -12.108 8.492 -2.824 1.00 0.00 C ATOM 460 O LYS A 34 -12.807 8.969 -1.931 1.00 0.00 O ATOM 461 CB LYS A 34 -10.688 10.055 -4.166 1.00 0.00 C ATOM 462 CG LYS A 34 -10.802 9.470 -5.563 1.00 0.00 C ATOM 463 CD LYS A 34 -11.490 10.432 -6.516 1.00 0.00 C ATOM 464 CE LYS A 34 -10.501 11.409 -7.133 1.00 0.00 C ATOM 465 NZ LYS A 34 -11.145 12.706 -7.480 1.00 0.00 N ATOM 0 H LYS A 34 -9.253 8.052 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.326 9.450 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.517 10.743 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.770 10.639 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.808 9.231 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.361 8.535 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.988 9.869 -7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.263 10.984 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.682 11.585 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.067 10.968 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.438 13.344 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.910 12.541 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.537 13.140 -6.620 1.00 0.00 H new ATOM 479 N GLN A 35 -12.525 7.522 -3.631 1.00 0.00 N ATOM 480 CA GLN A 35 -13.861 6.951 -3.511 1.00 0.00 C ATOM 481 C GLN A 35 -14.069 6.338 -2.130 1.00 0.00 C ATOM 482 O GLN A 35 -15.038 6.651 -1.440 1.00 0.00 O ATOM 483 CB GLN A 35 -14.084 5.890 -4.591 1.00 0.00 C ATOM 484 CG GLN A 35 -13.789 6.384 -5.998 1.00 0.00 C ATOM 485 CD GLN A 35 -14.110 5.349 -7.058 1.00 0.00 C ATOM 486 OE1 GLN A 35 -13.276 5.034 -7.907 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.325 4.814 -7.015 1.00 0.00 N ATOM 0 H GLN A 35 -11.957 7.115 -4.374 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.585 7.754 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.452 5.028 -4.378 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.118 5.547 -4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.367 7.288 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.736 6.658 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.985 5.105 -6.294 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.598 4.113 -7.703 1.00 0.00 H new ATOM 496 N GLY A 36 -13.150 5.463 -1.731 1.00 0.00 N ATOM 497 CA GLY A 36 -13.251 4.820 -0.434 1.00 0.00 C ATOM 498 C GLY A 36 -12.098 3.874 -0.165 1.00 0.00 C ATOM 499 O GLY A 36 -11.528 3.299 -1.092 1.00 0.00 O ATOM 0 H GLY A 36 -12.338 5.188 -2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.281 5.582 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.190 4.269 -0.377 1.00 0.00 H new ATOM 503 N ALA A 37 -11.751 3.713 1.108 1.00 0.00 N ATOM 504 CA ALA A 37 -10.659 2.830 1.497 1.00 0.00 C ATOM 505 C ALA A 37 -11.079 1.367 1.412 1.00 0.00 C ATOM 506 O ALA A 37 -10.335 0.473 1.815 1.00 0.00 O ATOM 507 CB ALA A 37 -10.185 3.165 2.903 1.00 0.00 C ATOM 0 H ALA A 37 -12.211 4.183 1.888 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.834 2.984 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.369 2.498 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.836 4.197 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.010 3.041 3.604 1.00 0.00 H new ATOM 513 N SER A 38 -12.277 1.129 0.887 1.00 0.00 N ATOM 514 CA SER A 38 -12.798 -0.226 0.755 1.00 0.00 C ATOM 515 C SER A 38 -12.684 -0.713 -0.687 1.00 0.00 C ATOM 516 O SER A 38 -12.585 -1.914 -0.943 1.00 0.00 O ATOM 517 CB SER A 38 -14.258 -0.281 1.209 1.00 0.00 C ATOM 518 OG SER A 38 -15.053 0.641 0.482 1.00 0.00 O ATOM 0 H SER A 38 -12.905 1.857 0.546 1.00 0.00 H new ATOM 0 HA SER A 38 -12.202 -0.881 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.647 -1.290 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.320 -0.058 2.274 1.00 0.00 H new ATOM 0 HG SER A 38 -15.982 0.585 0.789 1.00 0.00 H new ATOM 524 N LYS A 39 -12.697 0.227 -1.625 1.00 0.00 N ATOM 525 CA LYS A 39 -12.594 -0.104 -3.042 1.00 0.00 C ATOM 526 C LYS A 39 -11.167 -0.502 -3.404 1.00 0.00 C ATOM 527 O LYS A 39 -10.203 0.086 -2.914 1.00 0.00 O ATOM 528 CB LYS A 39 -13.035 1.086 -3.898 1.00 0.00 C ATOM 529 CG LYS A 39 -14.384 1.657 -3.495 1.00 0.00 C ATOM 530 CD LYS A 39 -15.522 0.977 -4.239 1.00 0.00 C ATOM 531 CE LYS A 39 -15.507 1.327 -5.719 1.00 0.00 C ATOM 532 NZ LYS A 39 -16.821 1.054 -6.366 1.00 0.00 N ATOM 0 H LYS A 39 -12.778 1.225 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.251 -0.951 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.282 1.871 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.078 0.776 -4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.526 1.535 -2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.403 2.728 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.443 -0.103 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.475 1.277 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.254 2.380 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.729 0.752 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.771 1.305 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.051 0.044 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.560 1.622 -5.904 1.00 0.00 H new ATOM 546 N LYS A 40 -11.038 -1.504 -4.268 1.00 0.00 N ATOM 547 CA LYS A 40 -9.729 -1.980 -4.699 1.00 0.00 C ATOM 548 C LYS A 40 -8.954 -0.874 -5.407 1.00 0.00 C ATOM 549 O LYS A 40 -9.252 -0.529 -6.551 1.00 0.00 O ATOM 550 CB LYS A 40 -9.884 -3.185 -5.630 1.00 0.00 C ATOM 551 CG LYS A 40 -10.811 -4.258 -5.087 1.00 0.00 C ATOM 552 CD LYS A 40 -10.051 -5.294 -4.276 1.00 0.00 C ATOM 553 CE LYS A 40 -10.876 -6.555 -4.070 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.883 -7.419 -5.283 1.00 0.00 N ATOM 0 H LYS A 40 -11.825 -2.002 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.170 -2.282 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.263 -2.843 -6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.902 -3.622 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.577 -3.797 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.326 -4.748 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.121 -5.546 -4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.780 -4.873 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.475 -7.117 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.899 -6.281 -3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.414 -8.291 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.335 -6.910 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.905 -7.660 -5.543 1.00 0.00 H new ATOM 568 N CYS A 41 -7.959 -0.323 -4.721 1.00 0.00 N ATOM 569 CA CYS A 41 -7.141 0.745 -5.285 1.00 0.00 C ATOM 570 C CYS A 41 -5.683 0.311 -5.397 1.00 0.00 C ATOM 571 O CYS A 41 -4.946 0.792 -6.258 1.00 0.00 O ATOM 572 CB CYS A 41 -7.245 2.005 -4.424 1.00 0.00 C ATOM 573 SG CYS A 41 -6.743 1.768 -2.703 1.00 0.00 S ATOM 0 H CYS A 41 -7.699 -0.598 -3.774 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.514 0.965 -6.285 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.627 2.786 -4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.275 2.362 -4.445 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.660 2.243 -1.914 1.00 0.00 H new ATOM 579 N ILE A 42 -5.273 -0.600 -4.520 1.00 0.00 N ATOM 580 CA ILE A 42 -3.904 -1.098 -4.521 1.00 0.00 C ATOM 581 C ILE A 42 -3.731 -2.231 -5.527 1.00 0.00 C ATOM 582 O ILE A 42 -4.294 -3.312 -5.361 1.00 0.00 O ATOM 583 CB ILE A 42 -3.486 -1.599 -3.125 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.474 -0.440 -2.126 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.119 -2.265 -3.188 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.393 -0.887 -0.683 1.00 0.00 C ATOM 0 H ILE A 42 -5.870 -1.008 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.265 -0.262 -4.805 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.213 -2.338 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.626 0.209 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.376 0.157 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.838 -2.613 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.158 -3.113 -3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.380 -1.546 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.389 -0.013 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.254 -1.512 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.477 -1.458 -0.530 1.00 0.00 H new ATOM 598 N GLN A 43 -2.948 -1.974 -6.570 1.00 0.00 N ATOM 599 CA GLN A 43 -2.700 -2.973 -7.603 1.00 0.00 C ATOM 600 C GLN A 43 -1.348 -3.647 -7.395 1.00 0.00 C ATOM 601 O GLN A 43 -0.317 -2.980 -7.310 1.00 0.00 O ATOM 602 CB GLN A 43 -2.754 -2.328 -8.989 1.00 0.00 C ATOM 603 CG GLN A 43 -3.065 -3.311 -10.106 1.00 0.00 C ATOM 604 CD GLN A 43 -2.974 -2.680 -11.481 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.053 -1.914 -11.765 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.930 -3.000 -12.344 1.00 0.00 N ATOM 0 H GLN A 43 -2.475 -1.083 -6.722 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.479 -3.733 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.510 -1.543 -8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.797 -1.848 -9.195 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.372 -4.151 -10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.067 -3.714 -9.961 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.675 -3.639 -12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.920 -2.607 -13.285 1.00 0.00 H new ATOM 615 N ASN A 44 -1.360 -4.974 -7.313 1.00 0.00 N ATOM 616 CA ASN A 44 -0.134 -5.739 -7.115 1.00 0.00 C ATOM 617 C ASN A 44 0.653 -5.854 -8.417 1.00 0.00 C ATOM 618 O ASN A 44 0.187 -5.430 -9.474 1.00 0.00 O ATOM 619 CB ASN A 44 -0.460 -7.134 -6.577 1.00 0.00 C ATOM 620 CG ASN A 44 -1.223 -7.976 -7.582 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.480 -7.542 -8.705 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.589 -9.188 -7.180 1.00 0.00 N ATOM 0 H ASN A 44 -2.205 -5.541 -7.381 1.00 0.00 H new ATOM 0 HA ASN A 44 0.481 -5.210 -6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.466 -7.643 -6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.048 -7.040 -5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.105 -9.801 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.354 -9.506 -6.240 1.00 0.00 H new ATOM 629 N GLU A 45 1.847 -6.431 -8.331 1.00 0.00 N ATOM 630 CA GLU A 45 2.698 -6.602 -9.503 1.00 0.00 C ATOM 631 C GLU A 45 1.995 -7.437 -10.569 1.00 0.00 C ATOM 632 O GLU A 45 2.301 -7.333 -11.756 1.00 0.00 O ATOM 633 CB GLU A 45 4.019 -7.265 -9.109 1.00 0.00 C ATOM 634 CG GLU A 45 4.773 -6.521 -8.019 1.00 0.00 C ATOM 635 CD GLU A 45 6.275 -6.696 -8.124 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.862 -6.208 -9.112 1.00 0.00 O ATOM 637 OE2 GLU A 45 6.864 -7.322 -7.217 1.00 0.00 O ATOM 0 H GLU A 45 2.247 -6.788 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 45 2.904 -5.615 -9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.819 -8.282 -8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.655 -7.342 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.530 -5.460 -8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.437 -6.875 -7.044 1.00 0.00 H new ATOM 644 N ALA A 46 1.051 -8.266 -10.135 1.00 0.00 N ATOM 645 CA ALA A 46 0.304 -9.118 -11.051 1.00 0.00 C ATOM 646 C ALA A 46 -0.779 -8.327 -11.777 1.00 0.00 C ATOM 647 O ALA A 46 -1.349 -8.795 -12.761 1.00 0.00 O ATOM 648 CB ALA A 46 -0.310 -10.290 -10.299 1.00 0.00 C ATOM 0 H ALA A 46 0.786 -8.365 -9.155 1.00 0.00 H new ATOM 0 HA ALA A 46 0.998 -9.503 -11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.865 -10.918 -10.995 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.481 -10.877 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.986 -9.915 -9.530 1.00 0.00 H new ATOM 654 N GLY A 47 -1.059 -7.125 -11.283 1.00 0.00 N ATOM 655 CA GLY A 47 -2.074 -6.288 -11.897 1.00 0.00 C ATOM 656 C GLY A 47 -3.399 -6.352 -11.164 1.00 0.00 C ATOM 657 O GLY A 47 -4.251 -5.480 -11.330 1.00 0.00 O ATOM 0 H GLY A 47 -0.601 -6.716 -10.469 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.724 -5.256 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.219 -6.598 -12.932 1.00 0.00 H new ATOM 661 N ASP A 48 -3.574 -7.389 -10.351 1.00 0.00 N ATOM 662 CA ASP A 48 -4.806 -7.564 -9.590 1.00 0.00 C ATOM 663 C ASP A 48 -4.923 -6.508 -8.495 1.00 0.00 C ATOM 664 O ASP A 48 -3.993 -6.302 -7.716 1.00 0.00 O ATOM 665 CB ASP A 48 -4.855 -8.963 -8.974 1.00 0.00 C ATOM 666 CG ASP A 48 -5.297 -10.018 -9.969 1.00 0.00 C ATOM 667 OD1 ASP A 48 -4.583 -10.223 -10.973 1.00 0.00 O ATOM 668 OD2 ASP A 48 -6.356 -10.640 -9.743 1.00 0.00 O ATOM 0 H ASP A 48 -2.879 -8.120 -10.202 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.647 -7.447 -10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.869 -9.222 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.538 -8.959 -8.125 1.00 0.00 H new ATOM 673 N TRP A 49 -6.071 -5.842 -8.444 1.00 0.00 N ATOM 674 CA TRP A 49 -6.309 -4.806 -7.445 1.00 0.00 C ATOM 675 C TRP A 49 -6.662 -5.422 -6.096 1.00 0.00 C ATOM 676 O TRP A 49 -7.152 -6.548 -6.026 1.00 0.00 O ATOM 677 CB TRP A 49 -7.432 -3.875 -7.904 1.00 0.00 C ATOM 678 CG TRP A 49 -7.153 -3.211 -9.218 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.309 -3.756 -10.461 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.669 -1.879 -9.420 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.951 -2.843 -11.423 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.555 -1.683 -10.811 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.322 -0.832 -8.562 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -6.108 -0.484 -11.359 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.878 0.358 -9.108 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.775 0.524 -10.496 1.00 0.00 C ATOM 0 H TRP A 49 -6.851 -6.000 -9.082 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.392 -4.228 -7.331 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.358 -4.445 -7.982 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.593 -3.109 -7.145 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.662 -4.757 -10.658 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.976 -3.003 -12.430 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.399 -0.950 -7.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.027 -0.354 -12.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.606 1.173 -8.454 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.426 1.466 -10.892 1.00 0.00 H new ATOM 697 N LEU A 50 -6.409 -4.676 -5.025 1.00 0.00 N ATOM 698 CA LEU A 50 -6.700 -5.149 -3.677 1.00 0.00 C ATOM 699 C LEU A 50 -7.193 -4.008 -2.794 1.00 0.00 C ATOM 700 O LEU A 50 -6.725 -2.874 -2.906 1.00 0.00 O ATOM 701 CB LEU A 50 -5.455 -5.788 -3.058 1.00 0.00 C ATOM 702 CG LEU A 50 -4.906 -7.000 -3.812 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.401 -7.109 -3.626 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.596 -8.273 -3.348 1.00 0.00 C ATOM 0 H LEU A 50 -6.003 -3.741 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.489 -5.898 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.671 -5.033 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.690 -6.090 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.110 -6.866 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.029 -7.977 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.921 -6.208 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.172 -7.220 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.193 -9.125 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.423 -8.412 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.667 -8.195 -3.535 1.00 0.00 H new ATOM 716 N THR A 51 -8.141 -4.314 -1.914 1.00 0.00 N ATOM 717 CA THR A 51 -8.699 -3.315 -1.012 1.00 0.00 C ATOM 718 C THR A 51 -7.691 -2.919 0.061 1.00 0.00 C ATOM 719 O THR A 51 -6.889 -3.740 0.507 1.00 0.00 O ATOM 720 CB THR A 51 -9.982 -3.826 -0.331 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.685 -4.970 0.478 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.035 -4.191 -1.366 1.00 0.00 C ATOM 0 H THR A 51 -8.539 -5.247 -1.807 1.00 0.00 H new ATOM 0 HA THR A 51 -8.942 -2.443 -1.619 1.00 0.00 H new ATOM 0 HB THR A 51 -10.375 -3.028 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.506 -5.288 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.932 -4.549 -0.861 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.280 -3.311 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.648 -4.974 -2.018 1.00 0.00 H new ATOM 730 N VAL A 52 -7.737 -1.656 0.473 1.00 0.00 N ATOM 731 CA VAL A 52 -6.829 -1.151 1.496 1.00 0.00 C ATOM 732 C VAL A 52 -6.595 -2.193 2.585 1.00 0.00 C ATOM 733 O VAL A 52 -5.520 -2.251 3.183 1.00 0.00 O ATOM 734 CB VAL A 52 -7.371 0.137 2.142 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.453 0.600 3.263 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.539 1.228 1.094 1.00 0.00 C ATOM 0 H VAL A 52 -8.394 -0.963 0.114 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.884 -0.929 0.999 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.350 -0.077 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.853 1.512 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.388 -0.177 4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.459 0.798 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.923 2.131 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.575 1.442 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.240 0.893 0.329 1.00 0.00 H new ATOM 746 N LYS A 53 -7.608 -3.015 2.837 1.00 0.00 N ATOM 747 CA LYS A 53 -7.513 -4.057 3.853 1.00 0.00 C ATOM 748 C LYS A 53 -6.840 -5.304 3.291 1.00 0.00 C ATOM 749 O LYS A 53 -5.955 -5.880 3.923 1.00 0.00 O ATOM 750 CB LYS A 53 -8.905 -4.410 4.381 1.00 0.00 C ATOM 751 CG LYS A 53 -8.898 -5.515 5.424 1.00 0.00 C ATOM 752 CD LYS A 53 -10.233 -6.239 5.478 1.00 0.00 C ATOM 753 CE LYS A 53 -10.472 -6.866 6.843 1.00 0.00 C ATOM 754 NZ LYS A 53 -9.857 -8.218 6.948 1.00 0.00 N ATOM 0 H LYS A 53 -8.504 -2.980 2.352 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.905 -3.676 4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.358 -3.517 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.535 -4.715 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.106 -6.228 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.673 -5.091 6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.037 -5.539 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.260 -7.013 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.060 -6.219 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.544 -6.939 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.491 -8.848 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.704 -8.605 5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.945 -8.147 7.443 1.00 0.00 H new ATOM 768 N GLU A 54 -7.264 -5.716 2.100 1.00 0.00 N ATOM 769 CA GLU A 54 -6.700 -6.895 1.455 1.00 0.00 C ATOM 770 C GLU A 54 -5.180 -6.793 1.367 1.00 0.00 C ATOM 771 O GLU A 54 -4.459 -7.666 1.852 1.00 0.00 O ATOM 772 CB GLU A 54 -7.291 -7.069 0.054 1.00 0.00 C ATOM 773 CG GLU A 54 -8.587 -7.863 0.035 1.00 0.00 C ATOM 774 CD GLU A 54 -8.356 -9.352 -0.129 1.00 0.00 C ATOM 775 OE1 GLU A 54 -7.522 -9.908 0.615 1.00 0.00 O ATOM 776 OE2 GLU A 54 -9.010 -9.962 -1.001 1.00 0.00 O ATOM 0 H GLU A 54 -7.996 -5.251 1.563 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.954 -7.765 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.471 -6.086 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.559 -7.569 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.132 -7.684 0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.216 -7.505 -0.780 1.00 0.00 H new ATOM 783 N PHE A 55 -4.699 -5.722 0.745 1.00 0.00 N ATOM 784 CA PHE A 55 -3.265 -5.505 0.592 1.00 0.00 C ATOM 785 C PHE A 55 -2.520 -5.871 1.873 1.00 0.00 C ATOM 786 O PHE A 55 -1.434 -6.447 1.829 1.00 0.00 O ATOM 787 CB PHE A 55 -2.984 -4.047 0.225 1.00 0.00 C ATOM 788 CG PHE A 55 -1.549 -3.784 -0.133 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.953 -4.450 -1.192 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.797 -2.873 0.590 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.367 -4.210 -1.524 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.523 -2.629 0.262 1.00 0.00 C ATOM 793 CZ PHE A 55 1.107 -3.299 -0.796 1.00 0.00 C ATOM 0 H PHE A 55 -5.282 -4.990 0.338 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.909 -6.150 -0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.617 -3.764 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.264 -3.409 1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.526 -5.164 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.247 -2.348 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.820 -4.735 -2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.098 -1.915 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.139 -3.111 -1.053 1.00 0.00 H new ATOM 803 N LEU A 56 -3.113 -5.532 3.013 1.00 0.00 N ATOM 804 CA LEU A 56 -2.507 -5.824 4.307 1.00 0.00 C ATOM 805 C LEU A 56 -2.396 -7.328 4.529 1.00 0.00 C ATOM 806 O LEU A 56 -1.343 -7.833 4.915 1.00 0.00 O ATOM 807 CB LEU A 56 -3.327 -5.189 5.432 1.00 0.00 C ATOM 808 CG LEU A 56 -3.907 -3.811 5.112 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.601 -3.227 6.332 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.813 -2.875 4.620 1.00 0.00 C ATOM 0 H LEU A 56 -4.013 -5.055 3.067 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.503 -5.400 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.146 -5.861 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.697 -5.104 6.317 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.646 -3.924 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.007 -2.246 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.411 -3.888 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.883 -3.128 7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.243 -1.899 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.051 -2.768 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.360 -3.287 3.718 1.00 0.00 H new ATOM 822 N ASN A 57 -3.492 -8.039 4.282 1.00 0.00 N ATOM 823 CA ASN A 57 -3.519 -9.487 4.456 1.00 0.00 C ATOM 824 C ASN A 57 -2.403 -10.152 3.655 1.00 0.00 C ATOM 825 O ASN A 57 -1.828 -11.151 4.086 1.00 0.00 O ATOM 826 CB ASN A 57 -4.875 -10.048 4.025 1.00 0.00 C ATOM 827 CG ASN A 57 -5.884 -10.056 5.157 1.00 0.00 C ATOM 828 OD1 ASN A 57 -5.881 -10.954 5.999 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.754 -9.053 5.181 1.00 0.00 N ATOM 0 H ASN A 57 -4.372 -7.636 3.961 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.363 -9.704 5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.265 -9.454 3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.743 -11.064 3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.457 -9.005 5.918 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.719 -8.330 4.462 1.00 0.00 H new ATOM 836 N GLU A 58 -2.103 -9.589 2.488 1.00 0.00 N ATOM 837 CA GLU A 58 -1.056 -10.128 1.628 1.00 0.00 C ATOM 838 C GLU A 58 0.275 -10.198 2.370 1.00 0.00 C ATOM 839 O GLU A 58 1.034 -11.154 2.217 1.00 0.00 O ATOM 840 CB GLU A 58 -0.908 -9.271 0.370 1.00 0.00 C ATOM 841 CG GLU A 58 -1.784 -9.727 -0.785 1.00 0.00 C ATOM 842 CD GLU A 58 -1.339 -9.154 -2.117 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.645 -8.116 -2.113 1.00 0.00 O ATOM 844 OE2 GLU A 58 -1.685 -9.743 -3.162 1.00 0.00 O ATOM 0 H GLU A 58 -2.570 -8.761 2.117 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.343 -11.139 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.153 -8.237 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.134 -9.285 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.770 -10.816 -0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.815 -9.431 -0.593 1.00 0.00 H new ATOM 851 N GLY A 59 0.553 -9.175 3.173 1.00 0.00 N ATOM 852 CA GLY A 59 1.793 -9.139 3.926 1.00 0.00 C ATOM 853 C GLY A 59 1.693 -9.880 5.244 1.00 0.00 C ATOM 854 O GLY A 59 2.654 -10.507 5.686 1.00 0.00 O ATOM 0 H GLY A 59 -0.058 -8.371 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.591 -9.577 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.069 -8.102 4.116 1.00 0.00 H new ATOM 858 N GLY A 60 0.525 -9.806 5.876 1.00 0.00 N ATOM 859 CA GLY A 60 0.325 -10.478 7.146 1.00 0.00 C ATOM 860 C GLY A 60 0.081 -9.506 8.284 1.00 0.00 C ATOM 861 O GLY A 60 0.387 -9.803 9.439 1.00 0.00 O ATOM 0 H GLY A 60 -0.286 -9.293 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.523 -11.158 7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.200 -11.087 7.373 1.00 0.00 H new ATOM 865 N ARG A 61 -0.471 -8.342 7.957 1.00 0.00 N ATOM 866 CA ARG A 61 -0.753 -7.322 8.960 1.00 0.00 C ATOM 867 C ARG A 61 -2.250 -7.036 9.038 1.00 0.00 C ATOM 868 O ARG A 61 -2.668 -6.005 9.564 1.00 0.00 O ATOM 869 CB ARG A 61 0.007 -6.035 8.638 1.00 0.00 C ATOM 870 CG ARG A 61 1.433 -6.021 9.163 1.00 0.00 C ATOM 871 CD ARG A 61 1.887 -4.611 9.506 1.00 0.00 C ATOM 872 NE ARG A 61 1.596 -4.264 10.894 1.00 0.00 N ATOM 873 CZ ARG A 61 2.178 -4.849 11.935 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.078 -5.804 11.746 1.00 0.00 N ATOM 875 NH2 ARG A 61 1.859 -4.479 13.169 1.00 0.00 N ATOM 0 H ARG A 61 -0.732 -8.082 7.006 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.421 -7.698 9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.026 -5.895 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.535 -5.188 9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.502 -6.652 10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.101 -6.448 8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.959 -4.522 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.393 -3.900 8.844 1.00 0.00 H new ATOM 0 HE ARG A 61 0.908 -3.533 11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.325 -6.092 10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.523 -6.251 12.547 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.167 -3.745 13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.306 -4.929 13.968 1.00 0.00 H new ATOM 889 N ALA A 62 -3.051 -7.956 8.511 1.00 0.00 N ATOM 890 CA ALA A 62 -4.501 -7.803 8.522 1.00 0.00 C ATOM 891 C ALA A 62 -4.986 -7.264 9.864 1.00 0.00 C ATOM 892 O ALA A 62 -5.775 -6.321 9.917 1.00 0.00 O ATOM 893 CB ALA A 62 -5.174 -9.132 8.210 1.00 0.00 C ATOM 0 H ALA A 62 -2.721 -8.815 8.071 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.772 -7.081 7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.256 -9.003 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.860 -9.476 7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.888 -9.869 8.960 1.00 0.00 H new ATOM 899 N THR A 63 -4.509 -7.871 10.947 1.00 0.00 N ATOM 900 CA THR A 63 -4.896 -7.453 12.289 1.00 0.00 C ATOM 901 C THR A 63 -4.786 -5.941 12.447 1.00 0.00 C ATOM 902 O THR A 63 -5.604 -5.317 13.122 1.00 0.00 O ATOM 903 CB THR A 63 -4.026 -8.134 13.362 1.00 0.00 C ATOM 904 OG1 THR A 63 -4.437 -7.712 14.667 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.555 -7.803 13.156 1.00 0.00 C ATOM 0 H THR A 63 -3.855 -8.653 10.921 1.00 0.00 H new ATOM 0 HA THR A 63 -5.934 -7.756 12.427 1.00 0.00 H new ATOM 0 HB THR A 63 -4.156 -9.213 13.272 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.880 -8.151 15.343 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.960 -8.295 13.926 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.238 -8.152 12.173 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.412 -6.724 13.221 1.00 0.00 H new ATOM 913 N SER A 64 -3.770 -5.357 11.819 1.00 0.00 N ATOM 914 CA SER A 64 -3.552 -3.917 11.893 1.00 0.00 C ATOM 915 C SER A 64 -4.820 -3.155 11.518 1.00 0.00 C ATOM 916 O SER A 64 -5.577 -3.578 10.644 1.00 0.00 O ATOM 917 CB SER A 64 -2.405 -3.506 10.969 1.00 0.00 C ATOM 918 OG SER A 64 -2.836 -3.435 9.620 1.00 0.00 O ATOM 0 H SER A 64 -3.085 -5.859 11.254 1.00 0.00 H new ATOM 0 HA SER A 64 -3.289 -3.667 12.921 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.013 -2.538 11.280 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.589 -4.223 11.056 1.00 0.00 H new ATOM 0 HG SER A 64 -2.706 -4.305 9.189 1.00 0.00 H new ATOM 924 N LYS A 65 -5.045 -2.029 12.186 1.00 0.00 N ATOM 925 CA LYS A 65 -6.219 -1.205 11.924 1.00 0.00 C ATOM 926 C LYS A 65 -5.877 -0.052 10.986 1.00 0.00 C ATOM 927 O LYS A 65 -6.632 0.255 10.064 1.00 0.00 O ATOM 928 CB LYS A 65 -6.787 -0.659 13.236 1.00 0.00 C ATOM 929 CG LYS A 65 -8.243 -0.239 13.140 1.00 0.00 C ATOM 930 CD LYS A 65 -8.656 0.617 14.326 1.00 0.00 C ATOM 931 CE LYS A 65 -10.155 0.542 14.573 1.00 0.00 C ATOM 932 NZ LYS A 65 -10.578 -0.815 15.016 1.00 0.00 N ATOM 0 H LYS A 65 -4.429 -1.666 12.914 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.971 -1.830 11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.687 -1.420 14.010 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.191 0.197 13.552 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.402 0.317 12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.876 -1.125 13.092 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.122 0.287 15.217 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.367 1.653 14.147 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.435 1.275 15.330 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.687 0.808 13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.468 -0.744 15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.720 -1.423 14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.842 -1.227 15.625 1.00 0.00 H new ATOM 946 N ASP A 66 -4.735 0.582 11.228 1.00 0.00 N ATOM 947 CA ASP A 66 -4.292 1.700 10.403 1.00 0.00 C ATOM 948 C ASP A 66 -3.517 1.203 9.185 1.00 0.00 C ATOM 949 O ASP A 66 -2.432 0.639 9.316 1.00 0.00 O ATOM 950 CB ASP A 66 -3.420 2.652 11.223 1.00 0.00 C ATOM 951 CG ASP A 66 -3.259 4.006 10.559 1.00 0.00 C ATOM 952 OD1 ASP A 66 -2.859 4.043 9.377 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.535 5.028 11.222 1.00 0.00 O ATOM 0 H ASP A 66 -4.099 0.341 11.988 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.175 2.236 10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.862 2.785 12.211 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.437 2.204 11.371 1.00 0.00 H new ATOM 958 N TRP A 67 -4.084 1.417 8.003 1.00 0.00 N ATOM 959 CA TRP A 67 -3.447 0.991 6.762 1.00 0.00 C ATOM 960 C TRP A 67 -2.373 1.983 6.333 1.00 0.00 C ATOM 961 O TRP A 67 -1.402 1.615 5.671 1.00 0.00 O ATOM 962 CB TRP A 67 -4.491 0.839 5.655 1.00 0.00 C ATOM 963 CG TRP A 67 -5.289 2.085 5.416 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.397 2.493 6.102 1.00 0.00 C ATOM 965 CD2 TRP A 67 -5.040 3.084 4.421 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.852 3.686 5.592 1.00 0.00 N ATOM 967 CE2 TRP A 67 -6.037 4.069 4.561 1.00 0.00 C ATOM 968 CE3 TRP A 67 -4.071 3.243 3.426 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -6.091 5.195 3.743 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.127 4.360 2.615 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.130 5.324 2.777 1.00 0.00 C ATOM 0 H TRP A 67 -4.983 1.883 7.878 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.973 0.026 6.939 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.990 0.554 4.730 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.169 0.026 5.914 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.849 1.958 6.924 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.665 4.202 5.928 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.293 2.506 3.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.863 5.940 3.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.384 4.492 1.842 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.145 6.186 2.127 1.00 0.00 H new ATOM 982 N LYS A 68 -2.552 3.244 6.712 1.00 0.00 N ATOM 983 CA LYS A 68 -1.597 4.291 6.368 1.00 0.00 C ATOM 984 C LYS A 68 -0.273 4.080 7.095 1.00 0.00 C ATOM 985 O LYS A 68 0.775 4.538 6.641 1.00 0.00 O ATOM 986 CB LYS A 68 -2.170 5.667 6.716 1.00 0.00 C ATOM 987 CG LYS A 68 -3.320 6.092 5.820 1.00 0.00 C ATOM 988 CD LYS A 68 -3.868 7.451 6.222 1.00 0.00 C ATOM 989 CE LYS A 68 -5.046 7.857 5.351 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.853 8.940 5.978 1.00 0.00 N ATOM 0 H LYS A 68 -3.351 3.566 7.258 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.413 4.242 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.511 5.658 7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.375 6.410 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.982 6.127 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.116 5.349 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.179 7.425 7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.080 8.200 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.681 8.192 4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.681 6.989 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.646 9.188 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.223 8.612 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.254 9.777 6.127 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.328 3.383 8.225 1.00 0.00 N ATOM 1005 CA GLY A 69 0.874 3.123 8.996 1.00 0.00 C ATOM 1006 C GLY A 69 1.600 1.875 8.534 1.00 0.00 C ATOM 1007 O GLY A 69 2.827 1.865 8.428 1.00 0.00 O ATOM 0 H GLY A 69 -1.184 2.993 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.544 3.979 8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.611 3.018 10.049 1.00 0.00 H new ATOM 1011 N VAL A 70 0.842 0.818 8.259 1.00 0.00 N ATOM 1012 CA VAL A 70 1.421 -0.441 7.807 1.00 0.00 C ATOM 1013 C VAL A 70 1.968 -0.317 6.390 1.00 0.00 C ATOM 1014 O VAL A 70 3.061 -0.799 6.091 1.00 0.00 O ATOM 1015 CB VAL A 70 0.386 -1.581 7.848 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.062 -1.845 9.277 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.805 -1.252 6.960 1.00 0.00 C ATOM 0 H VAL A 70 -0.175 0.809 8.341 1.00 0.00 H new ATOM 0 HA VAL A 70 2.238 -0.677 8.489 1.00 0.00 H new ATOM 0 HB VAL A 70 0.856 -2.488 7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.793 -2.653 9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.799 -2.128 9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.514 -0.943 9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.526 -2.068 7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.277 -0.333 7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.467 -1.118 5.932 1.00 0.00 H new ATOM 1027 N ILE A 71 1.201 0.333 5.520 1.00 0.00 N ATOM 1028 CA ILE A 71 1.610 0.522 4.134 1.00 0.00 C ATOM 1029 C ILE A 71 2.664 1.618 4.017 1.00 0.00 C ATOM 1030 O ILE A 71 2.485 2.723 4.529 1.00 0.00 O ATOM 1031 CB ILE A 71 0.411 0.881 3.237 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.630 -0.240 3.268 1.00 0.00 C ATOM 1033 CG2 ILE A 71 0.875 1.142 1.812 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.924 0.118 2.570 1.00 0.00 C ATOM 0 H ILE A 71 0.293 0.737 5.751 1.00 0.00 H new ATOM 0 HA ILE A 71 2.034 -0.424 3.798 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.051 1.791 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.208 -1.130 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.845 -0.497 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.016 1.394 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.583 1.970 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.358 0.248 1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.615 -0.723 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.368 0.989 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.722 0.346 1.523 1.00 0.00 H new ATOM 1046 N ARG A 72 3.763 1.305 3.337 1.00 0.00 N ATOM 1047 CA ARG A 72 4.846 2.263 3.152 1.00 0.00 C ATOM 1048 C ARG A 72 5.095 2.521 1.669 1.00 0.00 C ATOM 1049 O ARG A 72 5.064 1.598 0.854 1.00 0.00 O ATOM 1050 CB ARG A 72 6.127 1.751 3.813 1.00 0.00 C ATOM 1051 CG ARG A 72 6.026 1.632 5.325 1.00 0.00 C ATOM 1052 CD ARG A 72 7.399 1.649 5.978 1.00 0.00 C ATOM 1053 NE ARG A 72 7.319 1.473 7.425 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.263 0.287 8.019 1.00 0.00 C ATOM 1055 NH1 ARG A 72 7.277 -0.823 7.294 1.00 0.00 N ATOM 1056 NH2 ARG A 72 7.191 0.208 9.342 1.00 0.00 N ATOM 0 H ARG A 72 3.926 0.395 2.905 1.00 0.00 H new ATOM 0 HA ARG A 72 4.552 3.201 3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.376 0.775 3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.948 2.423 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.426 2.453 5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.510 0.708 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.014 0.857 5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.895 2.594 5.755 1.00 0.00 H new ATOM 0 HE ARG A 72 7.305 2.307 8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.331 -0.767 6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.234 -1.733 7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.179 1.059 9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.148 -0.704 9.797 1.00 0.00 H new ATOM 1070 N CYS A 73 5.340 3.781 1.326 1.00 0.00 N ATOM 1071 CA CYS A 73 5.593 4.162 -0.059 1.00 0.00 C ATOM 1072 C CYS A 73 7.064 3.975 -0.415 1.00 0.00 C ATOM 1073 O CYS A 73 7.415 3.100 -1.205 1.00 0.00 O ATOM 1074 CB CYS A 73 5.179 5.615 -0.294 1.00 0.00 C ATOM 1075 SG CYS A 73 5.451 6.196 -1.985 1.00 0.00 S ATOM 0 H CYS A 73 5.369 4.556 1.988 1.00 0.00 H new ATOM 0 HA CYS A 73 4.998 3.514 -0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.123 5.725 -0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.733 6.255 0.392 1.00 0.00 H new ATOM 0 HG CYS A 73 6.727 6.322 -2.201 1.00 0.00 H new ATOM 1081 N ASN A 74 7.919 4.805 0.174 1.00 0.00 N ATOM 1082 CA ASN A 74 9.353 4.732 -0.082 1.00 0.00 C ATOM 1083 C ASN A 74 10.119 4.404 1.196 1.00 0.00 C ATOM 1084 O ASN A 74 11.328 4.616 1.280 1.00 0.00 O ATOM 1085 CB ASN A 74 9.855 6.055 -0.666 1.00 0.00 C ATOM 1086 CG ASN A 74 9.697 6.119 -2.173 1.00 0.00 C ATOM 1087 OD1 ASN A 74 8.542 6.590 -2.627 1.00 0.00 O flip ATOM 1088 ND2 ASN A 74 10.604 5.749 -2.919 1.00 0.00 N flip ATOM 0 H ASN A 74 7.644 5.535 0.831 1.00 0.00 H new ATOM 0 HA ASN A 74 9.528 3.934 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.308 6.881 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.906 6.188 -0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.475 5.394 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.484 5.798 -3.931 1.00 0.00 H new ATOM 1095 N GLY A 75 9.404 3.886 2.191 1.00 0.00 N ATOM 1096 CA GLY A 75 10.032 3.536 3.451 1.00 0.00 C ATOM 1097 C GLY A 75 9.361 4.200 4.637 1.00 0.00 C ATOM 1098 O GLY A 75 9.686 3.905 5.787 1.00 0.00 O ATOM 0 H GLY A 75 8.402 3.703 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.003 2.454 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.082 3.825 3.423 1.00 0.00 H new ATOM 1102 N GLU A 76 8.423 5.100 4.357 1.00 0.00 N ATOM 1103 CA GLU A 76 7.707 5.809 5.411 1.00 0.00 C ATOM 1104 C GLU A 76 6.217 5.478 5.373 1.00 0.00 C ATOM 1105 O GLU A 76 5.731 4.856 4.429 1.00 0.00 O ATOM 1106 CB GLU A 76 7.909 7.319 5.269 1.00 0.00 C ATOM 1107 CG GLU A 76 9.273 7.797 5.740 1.00 0.00 C ATOM 1108 CD GLU A 76 10.412 7.168 4.962 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.567 7.498 3.768 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.148 6.346 5.547 1.00 0.00 O ATOM 0 H GLU A 76 8.142 5.355 3.410 1.00 0.00 H new ATOM 0 HA GLU A 76 8.110 5.485 6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.776 7.598 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.136 7.836 5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.327 8.881 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.389 7.565 6.799 1.00 0.00 H new ATOM 1117 N THR A 77 5.497 5.900 6.409 1.00 0.00 N ATOM 1118 CA THR A 77 4.064 5.648 6.496 1.00 0.00 C ATOM 1119 C THR A 77 3.273 6.710 5.741 1.00 0.00 C ATOM 1120 O THR A 77 3.505 7.907 5.909 1.00 0.00 O ATOM 1121 CB THR A 77 3.589 5.613 7.960 1.00 0.00 C ATOM 1122 OG1 THR A 77 3.857 6.870 8.593 1.00 0.00 O ATOM 1123 CG2 THR A 77 4.279 4.496 8.727 1.00 0.00 C ATOM 0 H THR A 77 5.883 6.417 7.199 1.00 0.00 H new ATOM 0 HA THR A 77 3.885 4.674 6.041 1.00 0.00 H new ATOM 0 HB THR A 77 2.515 5.426 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.550 6.840 9.523 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.927 4.492 9.759 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.048 3.538 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.357 4.656 8.712 1.00 0.00 H new ATOM 1131 N LEU A 78 2.337 6.265 4.910 1.00 0.00 N ATOM 1132 CA LEU A 78 1.509 7.178 4.130 1.00 0.00 C ATOM 1133 C LEU A 78 1.133 8.407 4.950 1.00 0.00 C ATOM 1134 O LEU A 78 1.116 9.526 4.438 1.00 0.00 O ATOM 1135 CB LEU A 78 0.244 6.465 3.646 1.00 0.00 C ATOM 1136 CG LEU A 78 0.489 5.238 2.768 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.822 4.531 2.460 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.196 5.636 1.481 1.00 0.00 C ATOM 0 H LEU A 78 2.132 5.277 4.759 1.00 0.00 H new ATOM 0 HA LEU A 78 2.087 7.504 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.338 6.160 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.365 7.176 3.088 1.00 0.00 H new ATOM 0 HG LEU A 78 1.131 4.547 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.627 3.660 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.290 4.211 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.489 5.214 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.362 4.750 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.579 6.347 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.154 6.097 1.720 1.00 0.00 H new ATOM 1150 N ARG A 79 0.831 8.190 6.226 1.00 0.00 N ATOM 1151 CA ARG A 79 0.453 9.279 7.118 1.00 0.00 C ATOM 1152 C ARG A 79 1.543 10.345 7.166 1.00 0.00 C ATOM 1153 O ARG A 79 1.269 11.536 7.015 1.00 0.00 O ATOM 1154 CB ARG A 79 0.184 8.744 8.526 1.00 0.00 C ATOM 1155 CG ARG A 79 -0.021 9.836 9.563 1.00 0.00 C ATOM 1156 CD ARG A 79 1.290 10.227 10.228 1.00 0.00 C ATOM 1157 NE ARG A 79 1.845 9.137 11.025 1.00 0.00 N ATOM 1158 CZ ARG A 79 2.977 9.234 11.714 1.00 0.00 C ATOM 1159 NH1 ARG A 79 3.669 10.364 11.704 1.00 0.00 N ATOM 1160 NH2 ARG A 79 3.418 8.197 12.417 1.00 0.00 N ATOM 0 H ARG A 79 0.841 7.269 6.665 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.459 9.734 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.701 8.108 8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.020 8.116 8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.465 10.711 9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.726 9.492 10.320 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.010 10.521 9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.128 11.096 10.865 1.00 0.00 H new ATOM 0 HE ARG A 79 1.336 8.253 11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.333 11.163 11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.538 10.435 12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.888 7.326 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.287 8.272 12.946 1.00 0.00 H new ATOM 1174 N HIS A 80 2.781 9.909 7.379 1.00 0.00 N ATOM 1175 CA HIS A 80 3.913 10.826 7.447 1.00 0.00 C ATOM 1176 C HIS A 80 4.093 11.567 6.125 1.00 0.00 C ATOM 1177 O HIS A 80 4.312 12.778 6.106 1.00 0.00 O ATOM 1178 CB HIS A 80 5.192 10.065 7.798 1.00 0.00 C ATOM 1179 CG HIS A 80 6.375 10.955 8.025 1.00 0.00 C ATOM 1180 ND1 HIS A 80 6.830 11.296 9.281 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.200 11.574 7.147 1.00 0.00 C ATOM 1182 CE1 HIS A 80 7.882 12.088 9.166 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.127 12.271 7.882 1.00 0.00 N ATOM 0 H HIS A 80 3.025 8.927 7.507 1.00 0.00 H new ATOM 0 HA HIS A 80 3.709 11.559 8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.017 9.471 8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.422 9.367 6.993 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.419 10.986 10.161 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.140 11.528 6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.445 12.513 9.984 1.00 0.00 H new ATOM 1192 N LEU A 81 4.001 10.830 5.023 1.00 0.00 N ATOM 1193 CA LEU A 81 4.155 11.417 3.697 1.00 0.00 C ATOM 1194 C LEU A 81 3.103 12.494 3.453 1.00 0.00 C ATOM 1195 O LEU A 81 3.410 13.573 2.947 1.00 0.00 O ATOM 1196 CB LEU A 81 4.052 10.332 2.622 1.00 0.00 C ATOM 1197 CG LEU A 81 5.012 9.156 2.796 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.635 8.016 1.862 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.446 9.598 2.546 1.00 0.00 C ATOM 0 H LEU A 81 3.821 9.826 5.022 1.00 0.00 H new ATOM 0 HA LEU A 81 5.140 11.880 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.031 9.949 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.233 10.788 1.649 1.00 0.00 H new ATOM 0 HG LEU A 81 4.935 8.798 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.330 7.188 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.622 7.681 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.683 8.361 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.116 8.748 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.537 9.982 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.714 10.382 3.255 1.00 0.00 H new ATOM 1211 N GLU A 82 1.860 12.191 3.815 1.00 0.00 N ATOM 1212 CA GLU A 82 0.762 13.133 3.634 1.00 0.00 C ATOM 1213 C GLU A 82 1.072 14.467 4.307 1.00 0.00 C ATOM 1214 O GLU A 82 0.790 15.531 3.757 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.536 12.553 4.201 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.746 13.446 3.987 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.788 13.287 5.078 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.814 12.218 5.722 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -3.578 14.232 5.286 1.00 0.00 O ATOM 0 H GLU A 82 1.589 11.302 4.235 1.00 0.00 H new ATOM 0 HA GLU A 82 0.638 13.305 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.724 11.584 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.409 12.377 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.423 14.486 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.197 13.215 3.022 1.00 0.00 H new ATOM 1226 N GLN A 83 1.653 14.399 5.501 1.00 0.00 N ATOM 1227 CA GLN A 83 2.001 15.601 6.250 1.00 0.00 C ATOM 1228 C GLN A 83 2.979 16.468 5.464 1.00 0.00 C ATOM 1229 O GLN A 83 2.907 17.697 5.504 1.00 0.00 O ATOM 1230 CB GLN A 83 2.607 15.227 7.603 1.00 0.00 C ATOM 1231 CG GLN A 83 1.579 14.754 8.620 1.00 0.00 C ATOM 1232 CD GLN A 83 2.141 14.680 10.026 1.00 0.00 C ATOM 1233 OE1 GLN A 83 2.110 13.489 10.613 1.00 0.00 O flip ATOM 1234 NE2 GLN A 83 2.598 15.681 10.578 1.00 0.00 N flip ATOM 0 H GLN A 83 1.892 13.525 5.970 1.00 0.00 H new ATOM 0 HA GLN A 83 1.088 16.173 6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.348 14.441 7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.135 16.091 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.725 15.431 8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.210 13.771 8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.602 16.576 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.973 15.615 11.524 1.00 0.00 H new ATOM 1243 N LYS A 84 3.894 15.821 4.750 1.00 0.00 N ATOM 1244 CA LYS A 84 4.887 16.532 3.953 1.00 0.00 C ATOM 1245 C LYS A 84 4.306 16.951 2.607 1.00 0.00 C ATOM 1246 O LYS A 84 5.040 17.325 1.693 1.00 0.00 O ATOM 1247 CB LYS A 84 6.121 15.654 3.737 1.00 0.00 C ATOM 1248 CG LYS A 84 6.919 15.404 5.005 1.00 0.00 C ATOM 1249 CD LYS A 84 7.630 14.061 4.961 1.00 0.00 C ATOM 1250 CE LYS A 84 8.878 14.120 4.093 1.00 0.00 C ATOM 1251 NZ LYS A 84 10.063 14.599 4.857 1.00 0.00 N ATOM 0 H LYS A 84 3.969 14.805 4.707 1.00 0.00 H new ATOM 0 HA LYS A 84 5.178 17.430 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.807 14.697 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.768 16.126 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.651 16.200 5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.253 15.436 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.903 13.759 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.951 13.301 4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.084 13.130 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.700 14.782 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.893 14.625 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.876 15.554 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.249 13.953 5.651 1.00 0.00 H new ATOM 1265 N GLY A 85 2.983 16.886 2.492 1.00 0.00 N ATOM 1266 CA GLY A 85 2.326 17.263 1.254 1.00 0.00 C ATOM 1267 C GLY A 85 2.707 16.360 0.097 1.00 0.00 C ATOM 1268 O GLY A 85 2.790 16.805 -1.047 1.00 0.00 O ATOM 0 H GLY A 85 2.354 16.579 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.246 17.231 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.585 18.293 1.008 1.00 0.00 H new ATOM 1272 N LEU A 86 2.941 15.086 0.396 1.00 0.00 N ATOM 1273 CA LEU A 86 3.317 14.117 -0.628 1.00 0.00 C ATOM 1274 C LEU A 86 2.123 13.259 -1.030 1.00 0.00 C ATOM 1275 O LEU A 86 1.983 12.875 -2.190 1.00 0.00 O ATOM 1276 CB LEU A 86 4.454 13.226 -0.123 1.00 0.00 C ATOM 1277 CG LEU A 86 5.649 13.975 0.468 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.584 13.011 1.182 1.00 0.00 C ATOM 1279 CD2 LEU A 86 6.393 14.734 -0.620 1.00 0.00 C ATOM 0 H LEU A 86 2.877 14.701 1.338 1.00 0.00 H new ATOM 0 HA LEU A 86 3.657 14.667 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.057 12.551 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.805 12.607 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 86 5.277 14.695 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.428 13.562 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.046 12.512 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.949 12.267 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.240 15.261 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.752 14.032 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.720 15.453 -1.087 1.00 0.00 H new ATOM 1291 N LEU A 87 1.263 12.961 -0.061 1.00 0.00 N ATOM 1292 CA LEU A 87 0.079 12.147 -0.313 1.00 0.00 C ATOM 1293 C LEU A 87 -1.193 12.970 -0.143 1.00 0.00 C ATOM 1294 O LEU A 87 -1.325 13.742 0.808 1.00 0.00 O ATOM 1295 CB LEU A 87 0.053 10.944 0.633 1.00 0.00 C ATOM 1296 CG LEU A 87 -1.024 9.903 0.325 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.595 9.015 -0.832 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.323 9.065 1.559 1.00 0.00 C ATOM 0 H LEU A 87 1.364 13.271 0.906 1.00 0.00 H new ATOM 0 HA LEU A 87 0.124 11.791 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.027 10.456 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.092 11.305 1.651 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.935 10.427 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.375 8.281 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.432 9.627 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.330 8.500 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.092 8.329 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.416 8.552 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.676 9.712 2.362 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.128 12.802 -1.072 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.391 13.530 -1.027 1.00 0.00 C ATOM 1312 C PHE A 88 -4.311 12.957 0.047 1.00 0.00 C ATOM 1313 O PHE A 88 -5.045 13.692 0.708 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.084 13.476 -2.390 1.00 0.00 C ATOM 1315 CG PHE A 88 -4.904 12.235 -2.596 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.335 10.980 -2.454 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.245 12.324 -2.934 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.087 9.836 -2.643 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.003 11.183 -3.124 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.422 9.938 -2.980 1.00 0.00 C ATOM 0 H PHE A 88 -2.035 12.168 -1.866 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.174 14.569 -0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.728 14.349 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.330 13.538 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.291 10.894 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.703 13.295 -3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.631 8.864 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.048 11.265 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.011 9.046 -3.131 1.00 0.00 H new ATOM 1330 N SER A 89 -4.266 11.639 0.215 1.00 0.00 N ATOM 1331 CA SER A 89 -5.099 10.966 1.205 1.00 0.00 C ATOM 1332 C SER A 89 -6.561 11.373 1.053 1.00 0.00 C ATOM 1333 O SER A 89 -7.265 11.584 2.040 1.00 0.00 O ATOM 1334 CB SER A 89 -4.611 11.292 2.618 1.00 0.00 C ATOM 1335 OG SER A 89 -5.110 12.546 3.053 1.00 0.00 O ATOM 0 H SER A 89 -3.662 11.016 -0.321 1.00 0.00 H new ATOM 0 HA SER A 89 -5.021 9.891 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.932 10.510 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.521 11.305 2.636 1.00 0.00 H new ATOM 0 HG SER A 89 -5.048 13.195 2.321 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.012 11.481 -0.194 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.388 11.862 -0.454 1.00 0.00 C ATOM 1343 C GLY A 90 -8.728 13.227 0.110 1.00 0.00 C ATOM 1344 O GLY A 90 -7.966 13.811 0.881 1.00 0.00 O ATOM 0 H GLY A 90 -6.449 11.312 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.565 11.862 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.056 11.117 -0.022 1.00 0.00 H new ATOM 1348 N PRO A 91 -9.897 13.758 -0.279 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.362 15.070 0.181 1.00 0.00 C ATOM 1350 C PRO A 91 -10.743 15.065 1.658 1.00 0.00 C ATOM 1351 O PRO A 91 -10.673 16.094 2.329 1.00 0.00 O ATOM 1352 CB PRO A 91 -11.595 15.333 -0.688 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.081 13.980 -1.076 1.00 0.00 C ATOM 1354 CD PRO A 91 -10.855 13.118 -1.196 1.00 0.00 C ATOM 0 HA PRO A 91 -9.588 15.832 0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.357 15.884 -0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.342 15.929 -1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.766 13.582 -0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.626 14.017 -2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.059 12.087 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.478 13.095 -2.219 1.00 0.00 H new ATOM 1362 N SER A 92 -11.146 13.901 2.157 1.00 0.00 N ATOM 1363 CA SER A 92 -11.541 13.764 3.554 1.00 0.00 C ATOM 1364 C SER A 92 -12.642 14.759 3.907 1.00 0.00 C ATOM 1365 O SER A 92 -12.617 15.378 4.970 1.00 0.00 O ATOM 1366 CB SER A 92 -10.334 13.976 4.470 1.00 0.00 C ATOM 1367 OG SER A 92 -10.590 13.482 5.773 1.00 0.00 O ATOM 0 H SER A 92 -11.208 13.039 1.615 1.00 0.00 H new ATOM 0 HA SER A 92 -11.926 12.755 3.700 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.463 13.472 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.094 15.038 4.521 1.00 0.00 H new ATOM 0 HG SER A 92 -11.379 13.930 6.144 1.00 0.00 H new ATOM 1373 N SER A 93 -13.609 14.906 3.006 1.00 0.00 N ATOM 1374 CA SER A 93 -14.718 15.828 3.220 1.00 0.00 C ATOM 1375 C SER A 93 -15.999 15.293 2.586 1.00 0.00 C ATOM 1376 O SER A 93 -16.012 14.904 1.419 1.00 0.00 O ATOM 1377 CB SER A 93 -14.385 17.204 2.639 1.00 0.00 C ATOM 1378 OG SER A 93 -13.222 17.743 3.242 1.00 0.00 O ATOM 0 H SER A 93 -13.646 14.399 2.122 1.00 0.00 H new ATOM 0 HA SER A 93 -14.876 15.924 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.236 17.121 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.226 17.881 2.793 1.00 0.00 H new ATOM 0 HG SER A 93 -12.434 17.249 2.933 1.00 0.00 H new ATOM 1384 N GLY A 94 -17.076 15.276 3.366 1.00 0.00 N ATOM 1385 CA GLY A 94 -18.347 14.787 2.865 1.00 0.00 C ATOM 1386 C GLY A 94 -19.428 15.849 2.892 1.00 0.00 C ATOM 1387 O GLY A 94 -19.886 16.303 1.843 1.00 0.00 O ATOM 0 H GLY A 94 -17.091 15.592 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.218 14.430 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -18.666 13.933 3.463 1.00 0.00 H new TER 1391 GLY A 94