USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 923 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 13 HIS : no HE2:sc= -2.2 K(o=-2.3,f=-1.5) USER MOD Set 1.2: A 44 THR OG1 : rot 176:sc= 0.799 USER MOD Set 1.3: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 117 GLN : amide:sc= -0.893 K(o=-2.3,f=-4.2) USER MOD Set 2.1: A 25 TYR OH : rot 16:sc= 0.405 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.62 K(o=-1.6,f=-8!) USER MOD Set 2.3: A 79 THR OG1 : rot 83:sc= 0.606 USER MOD Set 3.1: A 75 SER OG : rot -9:sc= 0.443 USER MOD Set 3.2: A 102 ASN : amide:sc= 0.413 K(o=0.86,f=-1.2) USER MOD Set 4.1: A 52 SER OG : rot -93:sc= 0.723 USER MOD Set 4.2: A 61 ASN : amide:sc= -1.06 K(o=-0.33,f=-2!) USER MOD Set 5.1: A 12 GLN : amide:sc= -0.444 X(o=-3,f=-3.4) USER MOD Set 5.2: A 30 MET CE :methyl 168:sc= -1.47 (180deg=-1.72) USER MOD Set 5.3: A 43 ASN : amide:sc= -1.07 X(o=-3,f=-3.4) USER MOD Set 6.1: A 4 SER OG : rot 25:sc= 0.0558 USER MOD Set 6.2: A 7 THR OG1 : rot -84:sc= 0.0736 USER MOD Set 6.3: A 8 HIS : no HD1:sc= -0.309 X(o=-0.18,f=-0.064) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 69:sc= 1.06 USER MOD Single : A 14 TYR OH : rot -28:sc= 0.267 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 160:sc= -0.0116 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 60 LYS NZ :NH3+ 171:sc=-0.00155 (180deg=-0.084) USER MOD Single : A 63 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00361 X(o=-0.0036,f=-0.0036) USER MOD Single : A 68 ASN : amide:sc= -0.0293 X(o=-0.029,f=-0.071) USER MOD Single : A 72 SER OG : rot 170:sc= 0.0629 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=0.5) USER MOD Single : A 94 TYR OH : rot 11:sc= 0.16 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.156 X(o=-0.16,f=0.0082) USER MOD Single : A 114 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.7) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.671 -4.514 2.548 1.00 0.00 N ATOM 33 CA ASN A 3 5.230 -4.301 3.847 1.00 0.00 C ATOM 34 C ASN A 3 5.261 -2.820 3.993 1.00 0.00 C ATOM 35 O ASN A 3 5.734 -2.290 4.993 1.00 0.00 O ATOM 36 CB ASN A 3 6.663 -4.834 4.018 1.00 0.00 C ATOM 37 CG ASN A 3 6.648 -6.360 3.985 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.437 -6.995 2.945 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.911 -6.955 5.186 1.00 0.00 N ATOM 0 HA ASN A 3 4.634 -4.832 4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.302 -4.449 3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.082 -4.485 4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.941 -7.972 5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.078 -6.382 6.013 1.00 0.00 H new ATOM 46 N SER A 4 4.741 -2.121 2.966 1.00 0.00 N ATOM 47 CA SER A 4 4.528 -0.705 3.016 1.00 0.00 C ATOM 48 C SER A 4 3.145 -0.503 3.538 1.00 0.00 C ATOM 49 O SER A 4 2.869 0.494 4.201 1.00 0.00 O ATOM 50 CB SER A 4 4.629 -0.058 1.624 1.00 0.00 C ATOM 51 OG SER A 4 4.367 1.335 1.694 1.00 0.00 O ATOM 0 H SER A 4 4.463 -2.548 2.082 1.00 0.00 H new ATOM 0 HA SER A 4 5.289 -0.244 3.646 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.624 -0.225 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.920 -0.532 0.946 1.00 0.00 H new ATOM 0 HG SER A 4 4.569 1.661 2.596 1.00 0.00 H new ATOM 57 N ARG A 5 2.254 -1.476 3.235 1.00 0.00 N ATOM 58 CA ARG A 5 0.899 -1.531 3.709 1.00 0.00 C ATOM 59 C ARG A 5 0.897 -1.647 5.197 1.00 0.00 C ATOM 60 O ARG A 5 0.216 -0.875 5.874 1.00 0.00 O ATOM 61 CB ARG A 5 0.163 -2.780 3.194 1.00 0.00 C ATOM 62 CG ARG A 5 -0.346 -2.666 1.750 1.00 0.00 C ATOM 63 CD ARG A 5 -1.653 -1.877 1.624 1.00 0.00 C ATOM 64 NE ARG A 5 -2.710 -2.649 2.344 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.985 -2.174 2.449 1.00 0.00 C ATOM 66 NH1 ARG A 5 -4.330 -0.988 1.867 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.919 -2.890 3.140 1.00 0.00 N ATOM 0 H ARG A 5 2.493 -2.262 2.630 1.00 0.00 H new ATOM 0 HA ARG A 5 0.406 -0.625 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.834 -3.636 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.683 -2.984 3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.419 -2.186 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.495 -3.667 1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.544 -0.882 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.922 -1.743 0.576 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.474 -3.548 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.633 -0.452 1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.285 -0.638 1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.663 -3.776 3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.873 -2.539 3.221 1.00 0.00 H new ATOM 81 N TYR A 6 1.671 -2.628 5.714 1.00 0.00 N ATOM 82 CA TYR A 6 1.914 -2.888 7.072 1.00 0.00 C ATOM 83 C TYR A 6 2.415 -1.727 7.838 1.00 0.00 C ATOM 84 O TYR A 6 1.775 -1.311 8.795 1.00 0.00 O ATOM 85 CB TYR A 6 3.025 -3.922 7.085 1.00 0.00 C ATOM 86 CG TYR A 6 3.204 -4.382 8.453 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.146 -5.018 9.024 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.391 -4.260 9.126 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.289 -5.651 10.226 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.531 -4.853 10.355 1.00 0.00 C ATOM 91 CZ TYR A 6 3.485 -5.568 10.912 1.00 0.00 C ATOM 92 OH TYR A 6 3.631 -6.195 12.166 1.00 0.00 O ATOM 0 H TYR A 6 2.161 -3.287 5.109 1.00 0.00 H new ATOM 0 HA TYR A 6 0.974 -3.191 7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.773 -4.758 6.433 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.951 -3.490 6.705 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.188 -5.023 8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.208 -3.702 8.693 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.467 -6.216 10.640 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.464 -4.761 10.892 1.00 0.00 H new ATOM 0 HH TYR A 6 4.536 -6.037 12.507 1.00 0.00 H new ATOM 102 N THR A 7 3.602 -1.223 7.458 1.00 0.00 N ATOM 103 CA THR A 7 4.251 -0.165 8.153 1.00 0.00 C ATOM 104 C THR A 7 3.598 1.177 8.046 1.00 0.00 C ATOM 105 O THR A 7 3.907 2.035 8.864 1.00 0.00 O ATOM 106 CB THR A 7 5.706 -0.023 7.848 1.00 0.00 C ATOM 107 OG1 THR A 7 5.899 0.498 6.542 1.00 0.00 O ATOM 108 CG2 THR A 7 6.453 -1.355 8.025 1.00 0.00 C ATOM 0 H THR A 7 4.120 -1.562 6.647 1.00 0.00 H new ATOM 0 HA THR A 7 4.141 -0.500 9.184 1.00 0.00 H new ATOM 0 HB THR A 7 6.126 0.685 8.563 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.866 -0.233 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.509 -1.213 7.794 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.349 -1.696 9.055 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.031 -2.101 7.351 1.00 0.00 H new ATOM 116 N HIS A 8 2.680 1.408 7.083 1.00 0.00 N ATOM 117 CA HIS A 8 1.951 2.652 7.051 1.00 0.00 C ATOM 118 C HIS A 8 0.802 2.598 8.011 1.00 0.00 C ATOM 119 O HIS A 8 0.527 3.585 8.695 1.00 0.00 O ATOM 120 CB HIS A 8 1.451 3.056 5.660 1.00 0.00 C ATOM 121 CG HIS A 8 2.601 3.413 4.763 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.426 4.040 3.560 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.934 3.228 4.927 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.619 4.237 3.015 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.552 3.754 3.825 1.00 0.00 N ATOM 0 H HIS A 8 2.443 0.751 6.340 1.00 0.00 H new ATOM 0 HA HIS A 8 2.663 3.422 7.348 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.882 2.236 5.221 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.773 3.905 5.745 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.417 2.755 5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.802 4.714 2.064 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.558 3.772 3.656 1.00 0.00 H new ATOM 134 N PHE A 9 0.154 1.409 8.098 1.00 0.00 N ATOM 135 CA PHE A 9 -0.827 1.067 9.107 1.00 0.00 C ATOM 136 C PHE A 9 -0.225 1.203 10.469 1.00 0.00 C ATOM 137 O PHE A 9 -0.885 1.699 11.372 1.00 0.00 O ATOM 138 CB PHE A 9 -1.412 -0.364 8.916 1.00 0.00 C ATOM 139 CG PHE A 9 -1.795 -1.113 10.173 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.831 -0.715 11.011 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.157 -2.316 10.448 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.138 -1.435 12.152 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.513 -3.077 11.543 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.471 -2.616 12.422 1.00 0.00 C ATOM 0 H PHE A 9 0.320 0.651 7.436 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.658 1.765 8.999 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.295 -0.289 8.282 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.680 -0.962 8.373 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.404 0.168 10.768 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.370 -2.661 9.794 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.897 -1.075 12.831 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.041 -4.034 11.712 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.699 -3.175 13.317 1.00 0.00 H new ATOM 154 N LEU A 10 1.032 0.767 10.651 1.00 0.00 N ATOM 155 CA LEU A 10 1.649 0.720 11.935 1.00 0.00 C ATOM 156 C LEU A 10 2.429 1.988 12.216 1.00 0.00 C ATOM 157 O LEU A 10 2.893 2.179 13.333 1.00 0.00 O ATOM 158 CB LEU A 10 2.245 -0.681 12.195 1.00 0.00 C ATOM 159 CG LEU A 10 3.663 -1.104 11.804 1.00 0.00 C ATOM 160 CD1 LEU A 10 4.817 -0.186 12.201 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.933 -2.422 12.520 1.00 0.00 C ATOM 0 H LEU A 10 1.630 0.441 9.892 1.00 0.00 H new ATOM 0 HA LEU A 10 0.941 0.776 12.762 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.165 -0.849 13.269 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.574 -1.390 11.710 1.00 0.00 H new ATOM 0 HG LEU A 10 3.656 -1.118 10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.758 -0.615 11.857 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.677 0.793 11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.841 -0.080 13.286 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.936 -2.770 12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.853 -2.274 13.597 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.203 -3.166 12.201 1.00 0.00 H new ATOM 173 N THR A 11 2.573 2.919 11.243 1.00 0.00 N ATOM 174 CA THR A 11 3.054 4.248 11.553 1.00 0.00 C ATOM 175 C THR A 11 1.949 4.970 12.247 1.00 0.00 C ATOM 176 O THR A 11 2.152 5.574 13.299 1.00 0.00 O ATOM 177 CB THR A 11 3.538 5.050 10.358 1.00 0.00 C ATOM 178 OG1 THR A 11 4.755 4.492 9.890 1.00 0.00 O ATOM 179 CG2 THR A 11 3.818 6.525 10.710 1.00 0.00 C ATOM 0 H THR A 11 2.362 2.760 10.258 1.00 0.00 H new ATOM 0 HA THR A 11 3.938 4.138 12.181 1.00 0.00 H new ATOM 0 HB THR A 11 2.748 5.012 9.607 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.580 3.616 9.487 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.161 7.053 9.820 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.904 6.991 11.078 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.587 6.575 11.481 1.00 0.00 H new ATOM 187 N GLN A 12 0.752 4.901 11.642 1.00 0.00 N ATOM 188 CA GLN A 12 -0.444 5.532 12.072 1.00 0.00 C ATOM 189 C GLN A 12 -0.928 4.983 13.368 1.00 0.00 C ATOM 190 O GLN A 12 -1.385 5.740 14.223 1.00 0.00 O ATOM 191 CB GLN A 12 -1.451 5.207 10.958 1.00 0.00 C ATOM 192 CG GLN A 12 -2.310 6.358 10.455 1.00 0.00 C ATOM 193 CD GLN A 12 -3.539 6.669 11.304 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.802 6.080 12.357 1.00 0.00 O ATOM 195 NE2 GLN A 12 -4.346 7.639 10.770 1.00 0.00 N ATOM 0 H GLN A 12 0.617 4.361 10.787 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.301 6.600 12.236 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.901 4.798 10.111 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.114 4.420 11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.692 7.254 10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.637 6.130 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.084 8.096 9.897 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.208 7.904 11.246 1.00 0.00 H new ATOM 204 N HIS A 13 -0.860 3.653 13.519 1.00 0.00 N ATOM 205 CA HIS A 13 -1.447 2.999 14.638 1.00 0.00 C ATOM 206 C HIS A 13 -0.413 2.542 15.610 1.00 0.00 C ATOM 207 O HIS A 13 -0.567 2.804 16.793 1.00 0.00 O ATOM 208 CB HIS A 13 -2.337 1.821 14.230 1.00 0.00 C ATOM 209 CG HIS A 13 -3.527 2.290 13.449 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.707 2.586 14.068 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.697 2.536 12.128 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.578 2.970 13.148 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.990 2.951 11.961 1.00 0.00 N ATOM 0 H HIS A 13 -0.395 3.028 12.861 1.00 0.00 H new ATOM 0 HA HIS A 13 -2.081 3.742 15.122 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.760 1.116 13.632 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.670 1.287 15.120 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.887 2.522 15.070 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.953 2.425 11.353 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.603 3.253 13.335 1.00 0.00 H new ATOM 222 N TYR A 14 0.648 1.829 15.195 1.00 0.00 N ATOM 223 CA TYR A 14 1.484 1.188 16.173 1.00 0.00 C ATOM 224 C TYR A 14 2.403 2.192 16.814 1.00 0.00 C ATOM 225 O TYR A 14 3.199 2.841 16.136 1.00 0.00 O ATOM 226 CB TYR A 14 2.332 0.074 15.567 1.00 0.00 C ATOM 227 CG TYR A 14 3.048 -0.705 16.573 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.367 -1.489 17.472 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.417 -0.707 16.529 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.067 -2.189 18.432 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.126 -1.410 17.473 1.00 0.00 C ATOM 232 CZ TYR A 14 4.449 -2.114 18.450 1.00 0.00 C ATOM 233 OH TYR A 14 5.188 -2.754 19.462 1.00 0.00 O ATOM 0 H TYR A 14 0.924 1.696 14.222 1.00 0.00 H new ATOM 0 HA TYR A 14 0.817 0.751 16.916 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.690 -0.591 14.989 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.050 0.508 14.872 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.290 -1.557 17.427 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.936 -0.159 15.757 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.543 -2.789 19.161 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.206 -1.412 17.451 1.00 0.00 H new ATOM 0 HH TYR A 14 4.646 -2.811 20.276 1.00 0.00 H new ATOM 243 N ASP A 15 2.304 2.329 18.151 1.00 0.00 N ATOM 244 CA ASP A 15 3.213 3.159 18.883 1.00 0.00 C ATOM 245 C ASP A 15 3.487 2.359 20.106 1.00 0.00 C ATOM 246 O ASP A 15 2.715 2.421 21.059 1.00 0.00 O ATOM 247 CB ASP A 15 2.666 4.544 19.288 1.00 0.00 C ATOM 248 CG ASP A 15 3.767 5.229 20.091 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.860 5.468 19.512 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.530 5.527 21.292 1.00 0.00 O ATOM 0 H ASP A 15 1.597 1.867 18.723 1.00 0.00 H new ATOM 0 HA ASP A 15 4.079 3.396 18.265 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.407 5.131 18.407 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.758 4.443 19.883 1.00 0.00 H new ATOM 255 N ALA A 16 4.590 1.580 20.045 1.00 0.00 N ATOM 256 CA ALA A 16 4.982 0.500 20.925 1.00 0.00 C ATOM 257 C ALA A 16 4.664 0.619 22.376 1.00 0.00 C ATOM 258 O ALA A 16 4.061 -0.286 22.942 1.00 0.00 O ATOM 259 CB ALA A 16 6.466 0.136 20.818 1.00 0.00 C ATOM 0 H ALA A 16 5.278 1.719 19.305 1.00 0.00 H new ATOM 0 HA ALA A 16 4.336 -0.284 20.531 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.691 -0.680 21.504 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.692 -0.175 19.798 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.073 1.004 21.075 1.00 0.00 H new ATOM 265 N LYS A 17 5.069 1.719 23.022 1.00 0.00 N ATOM 266 CA LYS A 17 4.589 2.023 24.344 1.00 0.00 C ATOM 267 C LYS A 17 4.559 3.529 24.396 1.00 0.00 C ATOM 268 O LYS A 17 5.419 4.153 23.776 1.00 0.00 O ATOM 269 CB LYS A 17 5.506 1.597 25.521 1.00 0.00 C ATOM 270 CG LYS A 17 5.472 0.104 25.894 1.00 0.00 C ATOM 271 CD LYS A 17 6.542 -0.757 25.207 1.00 0.00 C ATOM 272 CE LYS A 17 6.306 -2.257 25.410 1.00 0.00 C ATOM 273 NZ LYS A 17 7.307 -3.042 24.657 1.00 0.00 N ATOM 0 H LYS A 17 5.725 2.400 22.640 1.00 0.00 H new ATOM 0 HA LYS A 17 3.648 1.489 24.475 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.533 1.866 25.272 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.229 2.178 26.401 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.589 0.011 26.974 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.489 -0.296 25.645 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.552 -0.535 24.140 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.524 -0.491 25.598 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.366 -2.501 26.471 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.302 -2.522 25.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.134 -4.057 24.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.231 -2.821 23.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.261 -2.801 24.993 1.00 0.00 H new ATOM 287 N PRO A 18 3.630 4.141 25.121 1.00 0.00 N ATOM 288 CA PRO A 18 3.497 5.572 25.146 1.00 0.00 C ATOM 289 C PRO A 18 4.550 6.251 25.966 1.00 0.00 C ATOM 290 O PRO A 18 5.333 5.597 26.657 1.00 0.00 O ATOM 291 CB PRO A 18 2.190 5.811 25.888 1.00 0.00 C ATOM 292 CG PRO A 18 1.327 4.591 25.614 1.00 0.00 C ATOM 293 CD PRO A 18 2.332 3.512 25.240 1.00 0.00 C ATOM 0 HA PRO A 18 3.560 5.957 24.128 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.364 5.934 26.957 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.703 6.721 25.538 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.744 4.308 26.491 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.619 4.775 24.806 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.354 2.730 25.999 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.050 3.036 24.301 1.00 0.00 H new ATOM 301 N GLN A 19 4.505 7.599 25.924 1.00 0.00 N ATOM 302 CA GLN A 19 5.242 8.460 26.801 1.00 0.00 C ATOM 303 C GLN A 19 4.525 8.423 28.113 1.00 0.00 C ATOM 304 O GLN A 19 5.013 7.860 29.092 1.00 0.00 O ATOM 305 CB GLN A 19 5.313 9.899 26.239 1.00 0.00 C ATOM 306 CG GLN A 19 6.087 10.919 27.086 1.00 0.00 C ATOM 307 CD GLN A 19 7.537 10.459 27.237 1.00 0.00 C ATOM 308 OE1 GLN A 19 8.271 10.316 26.253 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.947 10.227 28.523 1.00 0.00 N ATOM 0 H GLN A 19 3.932 8.108 25.251 1.00 0.00 H new ATOM 0 HA GLN A 19 6.275 8.128 26.908 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.769 9.859 25.250 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.295 10.266 26.106 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.053 11.901 26.614 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.622 11.021 28.067 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.297 10.362 29.298 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.902 9.920 28.706 1.00 0.00 H new ATOM 318 N GLY A 20 3.321 9.019 28.128 1.00 0.00 N ATOM 319 CA GLY A 20 2.374 8.853 29.191 1.00 0.00 C ATOM 320 C GLY A 20 1.128 8.514 28.472 1.00 0.00 C ATOM 321 O GLY A 20 1.136 8.386 27.255 1.00 0.00 O ATOM 0 H GLY A 20 2.995 9.633 27.382 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.672 8.061 29.878 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.265 9.763 29.781 1.00 0.00 H new ATOM 325 N ARG A 21 0.023 8.359 29.217 1.00 0.00 N ATOM 326 CA ARG A 21 -1.242 8.007 28.626 1.00 0.00 C ATOM 327 C ARG A 21 -2.179 9.104 28.996 1.00 0.00 C ATOM 328 O ARG A 21 -3.092 8.922 29.802 1.00 0.00 O ATOM 329 CB ARG A 21 -1.789 6.645 29.101 1.00 0.00 C ATOM 330 CG ARG A 21 -0.910 5.476 28.629 1.00 0.00 C ATOM 331 CD ARG A 21 -1.310 4.114 29.196 1.00 0.00 C ATOM 332 NE ARG A 21 -2.585 3.685 28.558 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.133 2.480 28.889 1.00 0.00 C ATOM 334 NH1 ARG A 21 -2.565 1.711 29.863 1.00 0.00 N ATOM 335 NH2 ARG A 21 -4.250 2.038 28.247 1.00 0.00 N ATOM 0 H ARG A 21 -0.003 8.476 30.230 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.125 7.898 27.548 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.848 6.638 30.189 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.803 6.511 28.725 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.946 5.427 27.541 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.124 5.681 28.905 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.527 3.381 29.005 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.431 4.176 30.277 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.046 4.289 27.877 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.728 2.036 30.346 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.978 0.811 30.108 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.678 2.608 27.518 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.658 1.137 28.496 1.00 0.00 H new ATOM 349 N ASP A 22 -1.938 10.290 28.403 1.00 0.00 N ATOM 350 CA ASP A 22 -2.659 11.477 28.746 1.00 0.00 C ATOM 351 C ASP A 22 -2.801 12.274 27.491 1.00 0.00 C ATOM 352 O ASP A 22 -2.251 11.914 26.451 1.00 0.00 O ATOM 353 CB ASP A 22 -1.982 12.291 29.867 1.00 0.00 C ATOM 354 CG ASP A 22 -0.482 12.446 29.627 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.081 13.291 28.786 1.00 0.00 O ATOM 356 OD2 ASP A 22 0.289 11.722 30.312 1.00 0.00 O ATOM 0 H ASP A 22 -1.234 10.425 27.677 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.635 11.210 29.152 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.444 13.276 29.931 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.148 11.799 30.825 1.00 0.00 H new ATOM 361 N ASP A 23 -3.558 13.391 27.583 1.00 0.00 N ATOM 362 CA ASP A 23 -3.961 14.206 26.465 1.00 0.00 C ATOM 363 C ASP A 23 -2.827 14.976 25.852 1.00 0.00 C ATOM 364 O ASP A 23 -2.927 15.401 24.702 1.00 0.00 O ATOM 365 CB ASP A 23 -5.085 15.206 26.818 1.00 0.00 C ATOM 366 CG ASP A 23 -4.609 16.261 27.816 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.316 15.902 28.987 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.551 17.456 27.415 1.00 0.00 O ATOM 0 H ASP A 23 -3.905 13.742 28.476 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.335 13.483 25.740 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.435 15.696 25.909 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.934 14.666 27.236 1.00 0.00 H new ATOM 373 N ARG A 24 -1.719 15.163 26.605 1.00 0.00 N ATOM 374 CA ARG A 24 -0.556 15.847 26.124 1.00 0.00 C ATOM 375 C ARG A 24 0.274 14.911 25.305 1.00 0.00 C ATOM 376 O ARG A 24 0.990 15.353 24.409 1.00 0.00 O ATOM 377 CB ARG A 24 0.343 16.386 27.250 1.00 0.00 C ATOM 378 CG ARG A 24 -0.404 17.303 28.231 1.00 0.00 C ATOM 379 CD ARG A 24 0.475 17.797 29.387 1.00 0.00 C ATOM 380 NE ARG A 24 1.606 18.606 28.833 1.00 0.00 N ATOM 381 CZ ARG A 24 1.516 19.958 28.647 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.373 20.636 28.957 1.00 0.00 N ATOM 383 NH2 ARG A 24 2.586 20.638 28.138 1.00 0.00 N ATOM 0 H ARG A 24 -1.633 14.831 27.566 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.923 16.692 25.541 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.769 15.547 27.799 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.176 16.935 26.811 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.795 18.163 27.688 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.261 16.767 28.639 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.115 18.400 30.077 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.861 16.950 29.954 1.00 0.00 H new ATOM 0 HE ARG A 24 2.475 18.132 28.585 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.431 20.134 29.334 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.323 21.644 28.812 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.442 20.137 27.900 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.529 21.646 27.996 1.00 0.00 H new ATOM 397 N TYR A 25 0.181 13.590 25.596 1.00 0.00 N ATOM 398 CA TYR A 25 0.879 12.574 24.856 1.00 0.00 C ATOM 399 C TYR A 25 0.135 12.353 23.590 1.00 0.00 C ATOM 400 O TYR A 25 0.756 12.064 22.573 1.00 0.00 O ATOM 401 CB TYR A 25 1.007 11.224 25.613 1.00 0.00 C ATOM 402 CG TYR A 25 1.014 10.025 24.698 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.139 9.641 23.979 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.133 9.249 24.593 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.097 8.542 23.141 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.175 8.157 23.755 1.00 0.00 C ATOM 407 CZ TYR A 25 0.937 7.803 23.024 1.00 0.00 C ATOM 408 OH TYR A 25 0.877 6.681 22.172 1.00 0.00 O ATOM 0 H TYR A 25 -0.389 13.224 26.359 1.00 0.00 H new ATOM 0 HA TYR A 25 1.897 12.925 24.688 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.926 11.230 26.200 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.180 11.130 26.317 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.054 10.206 24.075 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.005 9.506 25.177 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.974 8.261 22.577 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.082 7.577 23.671 1.00 0.00 H new ATOM 0 HH TYR A 25 1.786 6.400 21.936 1.00 0.00 H new ATOM 418 N CYS A 26 -1.211 12.464 23.625 1.00 0.00 N ATOM 419 CA CYS A 26 -2.050 12.092 22.548 1.00 0.00 C ATOM 420 C CYS A 26 -2.004 13.156 21.494 1.00 0.00 C ATOM 421 O CYS A 26 -2.063 12.872 20.296 1.00 0.00 O ATOM 422 CB CYS A 26 -3.451 11.982 23.135 1.00 0.00 C ATOM 423 SG CYS A 26 -4.345 10.475 22.678 1.00 0.00 S ATOM 0 H CYS A 26 -1.719 12.825 24.433 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.741 11.154 22.087 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.380 12.031 24.222 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.034 12.846 22.814 1.00 0.00 H new ATOM 428 N GLU A 27 -1.865 14.416 21.956 1.00 0.00 N ATOM 429 CA GLU A 27 -1.711 15.561 21.108 1.00 0.00 C ATOM 430 C GLU A 27 -0.342 15.560 20.510 1.00 0.00 C ATOM 431 O GLU A 27 -0.186 15.907 19.340 1.00 0.00 O ATOM 432 CB GLU A 27 -1.936 16.884 21.863 1.00 0.00 C ATOM 433 CG GLU A 27 -2.015 18.116 20.954 1.00 0.00 C ATOM 434 CD GLU A 27 -2.336 19.331 21.814 1.00 0.00 C ATOM 435 OE1 GLU A 27 -3.379 19.305 22.519 1.00 0.00 O ATOM 436 OE2 GLU A 27 -1.538 20.304 21.773 1.00 0.00 O ATOM 0 H GLU A 27 -1.860 14.644 22.950 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.469 15.493 20.328 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.859 16.810 22.438 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.126 17.024 22.578 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.070 18.262 20.430 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.783 17.977 20.193 1.00 0.00 H new ATOM 443 N SER A 28 0.677 15.161 21.307 1.00 0.00 N ATOM 444 CA SER A 28 2.044 15.122 20.866 1.00 0.00 C ATOM 445 C SER A 28 2.291 14.045 19.856 1.00 0.00 C ATOM 446 O SER A 28 3.151 14.217 18.999 1.00 0.00 O ATOM 447 CB SER A 28 3.047 14.923 22.018 1.00 0.00 C ATOM 448 OG SER A 28 4.384 14.973 21.544 1.00 0.00 O ATOM 0 H SER A 28 0.548 14.861 22.273 1.00 0.00 H new ATOM 0 HA SER A 28 2.205 16.100 20.413 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.896 15.694 22.773 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.865 13.963 22.502 1.00 0.00 H new ATOM 0 HG SER A 28 5.002 14.846 22.294 1.00 0.00 H new ATOM 454 N ILE A 29 1.551 12.918 19.922 1.00 0.00 N ATOM 455 CA ILE A 29 1.760 11.836 18.998 1.00 0.00 C ATOM 456 C ILE A 29 0.976 12.050 17.747 1.00 0.00 C ATOM 457 O ILE A 29 1.396 11.599 16.686 1.00 0.00 O ATOM 458 CB ILE A 29 1.624 10.426 19.552 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.180 9.403 18.543 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.182 10.083 19.965 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.556 8.080 19.184 1.00 0.00 C ATOM 0 H ILE A 29 0.814 12.755 20.608 1.00 0.00 H new ATOM 0 HA ILE A 29 2.823 11.880 18.763 1.00 0.00 H new ATOM 0 HB ILE A 29 2.217 10.377 20.466 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.436 9.225 17.767 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.057 9.825 18.053 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.147 9.065 20.353 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.150 10.777 20.737 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.474 10.164 19.098 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.941 7.403 18.422 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.322 8.247 19.941 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.675 7.638 19.651 1.00 0.00 H new ATOM 473 N MET A 30 -0.159 12.778 17.806 1.00 0.00 N ATOM 474 CA MET A 30 -0.827 13.113 16.578 1.00 0.00 C ATOM 475 C MET A 30 -0.035 14.144 15.825 1.00 0.00 C ATOM 476 O MET A 30 -0.096 14.173 14.599 1.00 0.00 O ATOM 477 CB MET A 30 -2.258 13.636 16.743 1.00 0.00 C ATOM 478 CG MET A 30 -3.275 12.531 17.055 1.00 0.00 C ATOM 479 SD MET A 30 -4.243 12.131 15.576 1.00 0.00 S ATOM 480 CE MET A 30 -5.511 11.100 16.351 1.00 0.00 C ATOM 0 H MET A 30 -0.599 13.122 18.660 1.00 0.00 H new ATOM 0 HA MET A 30 -0.896 12.172 16.032 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.277 14.375 17.544 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.558 14.149 15.829 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.757 11.640 17.411 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.939 12.855 17.856 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.323 10.929 15.644 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.075 10.144 16.642 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.900 11.605 17.235 1.00 0.00 H new ATOM 490 N ARG A 31 0.721 15.008 16.539 1.00 0.00 N ATOM 491 CA ARG A 31 1.479 16.055 15.921 1.00 0.00 C ATOM 492 C ARG A 31 2.794 15.585 15.367 1.00 0.00 C ATOM 493 O ARG A 31 3.182 16.007 14.278 1.00 0.00 O ATOM 494 CB ARG A 31 1.725 17.229 16.880 1.00 0.00 C ATOM 495 CG ARG A 31 1.969 18.551 16.140 1.00 0.00 C ATOM 496 CD ARG A 31 1.942 19.788 17.050 1.00 0.00 C ATOM 497 NE ARG A 31 0.661 19.829 17.824 1.00 0.00 N ATOM 498 CZ ARG A 31 -0.510 20.288 17.287 1.00 0.00 C ATOM 499 NH1 ARG A 31 -0.564 20.735 15.999 1.00 0.00 N ATOM 500 NH2 ARG A 31 -1.640 20.293 18.053 1.00 0.00 N ATOM 0 H ARG A 31 0.805 14.977 17.555 1.00 0.00 H new ATOM 0 HA ARG A 31 0.864 16.394 15.087 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.866 17.340 17.541 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.586 17.005 17.510 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.935 18.502 15.638 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.212 18.667 15.364 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.789 19.764 17.735 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.043 20.693 16.450 1.00 0.00 H new ATOM 0 HE ARG A 31 0.662 19.502 18.790 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.277 20.730 15.422 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.445 21.074 15.613 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.605 19.957 19.015 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.519 20.633 17.663 1.00 0.00 H new ATOM 514 N ARG A 32 3.521 14.724 16.113 1.00 0.00 N ATOM 515 CA ARG A 32 4.871 14.356 15.768 1.00 0.00 C ATOM 516 C ARG A 32 4.897 13.202 14.820 1.00 0.00 C ATOM 517 O ARG A 32 5.837 13.086 14.034 1.00 0.00 O ATOM 518 CB ARG A 32 5.749 13.974 16.970 1.00 0.00 C ATOM 519 CG ARG A 32 6.082 15.176 17.864 1.00 0.00 C ATOM 520 CD ARG A 32 6.951 14.793 19.066 1.00 0.00 C ATOM 521 NE ARG A 32 7.142 16.009 19.917 1.00 0.00 N ATOM 522 CZ ARG A 32 8.178 16.880 19.728 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.097 16.676 18.741 1.00 0.00 N ATOM 524 NH2 ARG A 32 8.291 17.973 20.540 1.00 0.00 N ATOM 0 H ARG A 32 3.172 14.279 16.962 1.00 0.00 H new ATOM 0 HA ARG A 32 5.281 15.258 15.313 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.237 13.216 17.563 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.675 13.526 16.611 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.599 15.932 17.273 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.156 15.628 18.219 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.475 13.999 19.641 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.915 14.410 18.731 1.00 0.00 H new ATOM 0 HE ARG A 32 6.474 16.195 20.666 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.017 15.863 18.130 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.864 17.336 18.614 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.606 18.133 21.279 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.060 18.629 20.408 1.00 0.00 H new ATOM 538 N ARG A 33 3.864 12.327 14.863 1.00 0.00 N ATOM 539 CA ARG A 33 3.720 11.288 13.881 1.00 0.00 C ATOM 540 C ARG A 33 3.210 11.935 12.626 1.00 0.00 C ATOM 541 O ARG A 33 3.609 11.572 11.520 1.00 0.00 O ATOM 542 CB ARG A 33 2.734 10.194 14.338 1.00 0.00 C ATOM 543 CG ARG A 33 2.981 8.780 13.791 1.00 0.00 C ATOM 544 CD ARG A 33 4.300 8.139 14.252 1.00 0.00 C ATOM 545 NE ARG A 33 4.412 8.232 15.736 1.00 0.00 N ATOM 546 CZ ARG A 33 5.580 7.895 16.358 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.618 7.378 15.639 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.712 8.082 17.703 1.00 0.00 N ATOM 0 H ARG A 33 3.133 12.341 15.575 1.00 0.00 H new ATOM 0 HA ARG A 33 4.682 10.801 13.724 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.756 10.148 15.427 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.728 10.500 14.052 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.154 8.137 14.094 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.972 8.819 12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.337 7.095 13.940 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.144 8.643 13.782 1.00 0.00 H new ATOM 0 HE ARG A 33 3.614 8.548 16.288 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.523 7.242 14.633 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.489 7.128 16.108 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.939 8.473 18.242 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.584 7.831 18.170 1.00 0.00 H new ATOM 562 N GLY A 34 2.339 12.948 12.815 1.00 0.00 N ATOM 563 CA GLY A 34 1.892 13.855 11.796 1.00 0.00 C ATOM 564 C GLY A 34 0.842 13.221 10.980 1.00 0.00 C ATOM 565 O GLY A 34 1.025 12.893 9.809 1.00 0.00 O ATOM 0 H GLY A 34 1.925 13.144 13.726 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.508 14.767 12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.730 14.145 11.163 1.00 0.00 H new ATOM 569 N LEU A 35 -0.318 13.097 11.630 1.00 0.00 N ATOM 570 CA LEU A 35 -1.549 12.810 10.985 1.00 0.00 C ATOM 571 C LEU A 35 -2.443 13.867 11.551 1.00 0.00 C ATOM 572 O LEU A 35 -3.663 13.735 11.640 1.00 0.00 O ATOM 573 CB LEU A 35 -2.031 11.368 11.200 1.00 0.00 C ATOM 574 CG LEU A 35 -1.655 10.726 12.554 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.923 10.151 13.171 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.554 9.661 12.411 1.00 0.00 C ATOM 0 H LEU A 35 -0.402 13.200 12.641 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.500 12.844 9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.116 11.349 11.100 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.626 10.747 10.401 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.235 11.488 13.211 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.685 9.691 14.130 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.649 10.950 13.322 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.344 9.400 12.503 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.326 9.240 13.390 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.898 8.868 11.747 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.343 10.119 11.995 1.00 0.00 H new ATOM 588 N THR A 36 -1.768 14.989 11.892 1.00 0.00 N ATOM 589 CA THR A 36 -2.370 16.265 12.213 1.00 0.00 C ATOM 590 C THR A 36 -2.656 17.058 10.973 1.00 0.00 C ATOM 591 O THR A 36 -3.262 18.125 11.060 1.00 0.00 O ATOM 592 CB THR A 36 -1.484 17.172 13.028 1.00 0.00 C ATOM 593 OG1 THR A 36 -0.130 16.787 12.856 1.00 0.00 O ATOM 594 CG2 THR A 36 -1.902 17.125 14.509 1.00 0.00 C ATOM 0 H THR A 36 -0.750 15.011 11.948 1.00 0.00 H new ATOM 0 HA THR A 36 -3.265 15.991 12.772 1.00 0.00 H new ATOM 0 HB THR A 36 -1.593 18.201 12.686 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.456 17.532 13.104 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.256 17.783 15.090 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.937 17.454 14.606 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.809 16.105 14.881 1.00 0.00 H new ATOM 602 N SER A 37 -2.233 16.577 9.785 1.00 0.00 N ATOM 603 CA SER A 37 -2.452 17.277 8.558 1.00 0.00 C ATOM 604 C SER A 37 -3.377 16.472 7.687 1.00 0.00 C ATOM 605 O SER A 37 -2.908 15.504 7.092 1.00 0.00 O ATOM 606 CB SER A 37 -1.131 17.405 7.797 1.00 0.00 C ATOM 607 OG SER A 37 -0.278 18.338 8.446 1.00 0.00 O ATOM 0 H SER A 37 -1.734 15.694 9.678 1.00 0.00 H new ATOM 0 HA SER A 37 -2.870 18.257 8.785 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.641 16.433 7.739 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.322 17.727 6.774 1.00 0.00 H new ATOM 0 HG SER A 37 0.565 18.410 7.951 1.00 0.00 H new ATOM 613 N PRO A 38 -4.655 16.795 7.512 1.00 0.00 N ATOM 614 CA PRO A 38 -5.502 17.556 8.394 1.00 0.00 C ATOM 615 C PRO A 38 -5.874 16.643 9.531 1.00 0.00 C ATOM 616 O PRO A 38 -5.707 15.427 9.417 1.00 0.00 O ATOM 617 CB PRO A 38 -6.732 17.872 7.543 1.00 0.00 C ATOM 618 CG PRO A 38 -6.833 16.699 6.563 1.00 0.00 C ATOM 619 CD PRO A 38 -5.374 16.281 6.360 1.00 0.00 C ATOM 0 HA PRO A 38 -5.050 18.462 8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.629 17.954 8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.618 18.820 7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.431 15.885 6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.300 16.998 5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.283 15.197 6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.974 16.692 5.433 1.00 0.00 H new ATOM 627 N CYS A 39 -6.360 17.230 10.650 1.00 0.00 N ATOM 628 CA CYS A 39 -6.645 16.524 11.850 1.00 0.00 C ATOM 629 C CYS A 39 -7.835 15.656 11.649 1.00 0.00 C ATOM 630 O CYS A 39 -8.951 16.131 11.443 1.00 0.00 O ATOM 631 CB CYS A 39 -6.962 17.492 12.995 1.00 0.00 C ATOM 632 SG CYS A 39 -5.590 18.626 13.306 1.00 0.00 S ATOM 0 H CYS A 39 -6.557 18.229 10.710 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.766 15.931 12.103 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.859 18.062 12.752 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.180 16.926 13.901 1.00 0.00 H new ATOM 637 N LYS A 40 -7.577 14.337 11.719 1.00 0.00 N ATOM 638 CA LYS A 40 -8.586 13.331 11.651 1.00 0.00 C ATOM 639 C LYS A 40 -9.121 13.257 13.040 1.00 0.00 C ATOM 640 O LYS A 40 -8.405 13.575 13.994 1.00 0.00 O ATOM 641 CB LYS A 40 -7.987 11.972 11.226 1.00 0.00 C ATOM 642 CG LYS A 40 -8.968 10.799 11.047 1.00 0.00 C ATOM 643 CD LYS A 40 -10.033 11.030 9.966 1.00 0.00 C ATOM 644 CE LYS A 40 -10.949 9.818 9.778 1.00 0.00 C ATOM 645 NZ LYS A 40 -11.941 10.090 8.716 1.00 0.00 N ATOM 0 H LYS A 40 -6.635 13.961 11.826 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.355 13.565 10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.456 12.116 10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.245 11.682 11.970 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.402 9.901 10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.466 10.608 11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.635 11.899 10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.542 11.261 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.356 8.942 9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.460 9.590 10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.558 9.261 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.517 10.914 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.447 10.286 7.822 1.00 0.00 H new ATOM 659 N ASP A 41 -10.405 12.854 13.149 1.00 0.00 N ATOM 660 CA ASP A 41 -11.115 12.766 14.386 1.00 0.00 C ATOM 661 C ASP A 41 -10.462 11.742 15.257 1.00 0.00 C ATOM 662 O ASP A 41 -9.789 12.100 16.220 1.00 0.00 O ATOM 663 CB ASP A 41 -12.610 12.423 14.196 1.00 0.00 C ATOM 664 CG ASP A 41 -13.326 12.377 15.544 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.314 13.409 16.265 1.00 0.00 O ATOM 666 OD2 ASP A 41 -13.910 11.306 15.862 1.00 0.00 O ATOM 0 H ASP A 41 -10.966 12.580 12.343 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.076 13.748 14.857 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.081 13.167 13.553 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.707 11.461 13.694 1.00 0.00 H new ATOM 671 N ILE A 42 -10.652 10.450 14.941 1.00 0.00 N ATOM 672 CA ILE A 42 -10.321 9.422 15.879 1.00 0.00 C ATOM 673 C ILE A 42 -9.296 8.527 15.256 1.00 0.00 C ATOM 674 O ILE A 42 -9.489 8.008 14.157 1.00 0.00 O ATOM 675 CB ILE A 42 -11.570 8.689 16.358 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.258 7.758 17.545 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.321 7.983 15.206 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.521 7.268 18.256 1.00 0.00 C ATOM 0 H ILE A 42 -11.028 10.119 14.052 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.886 9.851 16.782 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.264 9.441 16.732 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.690 6.899 17.189 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.625 8.285 18.259 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.201 7.477 15.602 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.629 8.722 14.466 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.663 7.252 14.737 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.243 6.616 19.084 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.078 8.123 18.639 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.144 6.715 17.552 1.00 0.00 H new ATOM 690 N ASN A 43 -8.158 8.334 15.962 1.00 0.00 N ATOM 691 CA ASN A 43 -7.194 7.342 15.547 1.00 0.00 C ATOM 692 C ASN A 43 -6.609 6.762 16.779 1.00 0.00 C ATOM 693 O ASN A 43 -6.379 7.463 17.761 1.00 0.00 O ATOM 694 CB ASN A 43 -5.988 7.819 14.716 1.00 0.00 C ATOM 695 CG ASN A 43 -6.449 8.258 13.331 1.00 0.00 C ATOM 696 OD1 ASN A 43 -6.977 7.462 12.546 1.00 0.00 O ATOM 697 ND2 ASN A 43 -6.230 9.574 13.042 1.00 0.00 N ATOM 0 H ASN A 43 -7.906 8.852 16.804 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.761 6.669 14.903 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.492 8.647 15.222 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.257 7.016 14.627 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.507 9.950 12.135 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.789 10.181 13.733 1.00 0.00 H new ATOM 704 N THR A 44 -6.359 5.441 16.725 1.00 0.00 N ATOM 705 CA THR A 44 -5.956 4.690 17.870 1.00 0.00 C ATOM 706 C THR A 44 -4.521 4.328 17.760 1.00 0.00 C ATOM 707 O THR A 44 -4.114 3.700 16.785 1.00 0.00 O ATOM 708 CB THR A 44 -6.757 3.431 17.976 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.126 3.787 18.012 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.403 2.683 19.263 1.00 0.00 C ATOM 0 H THR A 44 -6.438 4.887 15.872 1.00 0.00 H new ATOM 0 HA THR A 44 -6.120 5.305 18.755 1.00 0.00 H new ATOM 0 HB THR A 44 -6.542 2.785 17.125 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.675 2.975 18.014 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.993 1.769 19.327 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.343 2.430 19.257 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.620 3.316 20.123 1.00 0.00 H new ATOM 718 N PHE A 45 -3.738 4.690 18.800 1.00 0.00 N ATOM 719 CA PHE A 45 -2.383 4.240 18.898 1.00 0.00 C ATOM 720 C PHE A 45 -2.354 3.004 19.759 1.00 0.00 C ATOM 721 O PHE A 45 -2.780 3.034 20.909 1.00 0.00 O ATOM 722 CB PHE A 45 -1.390 5.296 19.416 1.00 0.00 C ATOM 723 CG PHE A 45 -1.357 6.443 18.447 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.239 7.496 18.620 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.473 6.489 17.377 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.261 8.552 17.730 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.456 7.575 16.527 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.357 8.605 16.691 1.00 0.00 C ATOM 0 H PHE A 45 -4.043 5.290 19.566 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.042 4.023 17.886 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.691 5.645 20.404 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.396 4.861 19.520 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.917 7.492 19.460 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.207 5.667 17.209 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.990 9.340 17.849 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.268 7.619 15.727 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.355 9.445 16.012 1.00 0.00 H new ATOM 738 N ILE A 46 -1.855 1.879 19.189 1.00 0.00 N ATOM 739 CA ILE A 46 -1.813 0.573 19.801 1.00 0.00 C ATOM 740 C ILE A 46 -0.474 0.459 20.446 1.00 0.00 C ATOM 741 O ILE A 46 0.496 1.008 19.942 1.00 0.00 O ATOM 742 CB ILE A 46 -1.755 -0.551 18.772 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.599 -0.307 17.503 1.00 0.00 C ATOM 744 CG2 ILE A 46 -2.052 -1.914 19.418 1.00 0.00 C ATOM 745 CD1 ILE A 46 -4.106 -0.231 17.727 1.00 0.00 C ATOM 0 H ILE A 46 -1.459 1.882 18.249 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.689 0.485 20.444 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.726 -0.562 18.411 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.270 0.624 17.041 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.394 -1.106 16.791 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.003 -2.695 18.659 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.315 -2.117 20.195 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.049 -1.898 19.859 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.607 -0.057 16.775 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.458 -1.169 18.156 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.331 0.588 18.410 1.00 0.00 H new ATOM 757 N HIS A 47 -0.386 -0.271 21.573 1.00 0.00 N ATOM 758 CA HIS A 47 0.820 -0.433 22.336 1.00 0.00 C ATOM 759 C HIS A 47 0.922 -1.868 22.726 1.00 0.00 C ATOM 760 O HIS A 47 -0.032 -2.452 23.238 1.00 0.00 O ATOM 761 CB HIS A 47 0.828 0.319 23.667 1.00 0.00 C ATOM 762 CG HIS A 47 0.073 1.599 23.611 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.311 2.604 22.702 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.970 2.015 24.368 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.591 3.573 22.944 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.387 3.266 23.950 1.00 0.00 N ATOM 0 H HIS A 47 -1.183 -0.768 21.970 1.00 0.00 H new ATOM 0 HA HIS A 47 1.625 -0.057 21.704 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.399 -0.317 24.441 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.859 0.523 23.958 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.033 2.613 21.982 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.411 1.453 25.178 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.655 4.493 22.381 1.00 0.00 H new ATOM 774 N GLY A 48 2.109 -2.465 22.537 1.00 0.00 N ATOM 775 CA GLY A 48 2.322 -3.786 23.038 1.00 0.00 C ATOM 776 C GLY A 48 3.598 -4.238 22.435 1.00 0.00 C ATOM 777 O GLY A 48 4.533 -3.452 22.294 1.00 0.00 O ATOM 0 H GLY A 48 2.903 -2.048 22.051 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.380 -3.788 24.126 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.501 -4.448 22.761 1.00 0.00 H new ATOM 781 N ASN A 49 3.644 -5.532 22.063 1.00 0.00 N ATOM 782 CA ASN A 49 4.738 -6.057 21.307 1.00 0.00 C ATOM 783 C ASN A 49 4.313 -6.023 19.882 1.00 0.00 C ATOM 784 O ASN A 49 3.135 -6.147 19.551 1.00 0.00 O ATOM 785 CB ASN A 49 5.115 -7.506 21.655 1.00 0.00 C ATOM 786 CG ASN A 49 6.011 -7.509 22.892 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.602 -7.123 23.994 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.279 -7.974 22.675 1.00 0.00 N ATOM 0 H ASN A 49 2.921 -6.215 22.287 1.00 0.00 H new ATOM 0 HA ASN A 49 5.618 -5.453 21.529 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.216 -8.094 21.841 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.632 -7.971 20.816 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.946 -8.016 23.446 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.558 -8.279 21.742 1.00 0.00 H new ATOM 795 N LYS A 50 5.315 -5.856 18.997 1.00 0.00 N ATOM 796 CA LYS A 50 5.123 -5.793 17.579 1.00 0.00 C ATOM 797 C LYS A 50 5.197 -7.200 17.065 1.00 0.00 C ATOM 798 O LYS A 50 4.738 -7.514 15.967 1.00 0.00 O ATOM 799 CB LYS A 50 6.285 -5.007 16.938 1.00 0.00 C ATOM 800 CG LYS A 50 6.118 -4.577 15.476 1.00 0.00 C ATOM 801 CD LYS A 50 7.408 -3.918 14.966 1.00 0.00 C ATOM 802 CE LYS A 50 7.303 -3.380 13.540 1.00 0.00 C ATOM 803 NZ LYS A 50 8.613 -2.869 13.084 1.00 0.00 N ATOM 0 H LYS A 50 6.291 -5.762 19.278 1.00 0.00 H new ATOM 0 HA LYS A 50 4.173 -5.314 17.344 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.458 -4.112 17.536 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.186 -5.617 17.010 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.875 -5.443 14.860 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.285 -3.879 15.387 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.676 -3.100 15.634 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.219 -4.645 15.011 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.961 -4.170 12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.560 -2.583 13.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.525 -2.507 12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.924 -2.102 13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.312 -3.639 13.105 1.00 0.00 H new ATOM 817 N ARG A 51 5.791 -8.089 17.889 1.00 0.00 N ATOM 818 CA ARG A 51 5.830 -9.501 17.657 1.00 0.00 C ATOM 819 C ARG A 51 4.453 -10.034 17.875 1.00 0.00 C ATOM 820 O ARG A 51 4.007 -10.933 17.165 1.00 0.00 O ATOM 821 CB ARG A 51 6.761 -10.232 18.643 1.00 0.00 C ATOM 822 CG ARG A 51 8.196 -9.691 18.630 1.00 0.00 C ATOM 823 CD ARG A 51 9.106 -10.422 19.621 1.00 0.00 C ATOM 824 NE ARG A 51 10.445 -9.754 19.619 1.00 0.00 N ATOM 825 CZ ARG A 51 11.448 -10.127 18.768 1.00 0.00 C ATOM 826 NH1 ARG A 51 11.266 -11.133 17.864 1.00 0.00 N ATOM 827 NH2 ARG A 51 12.649 -9.478 18.821 1.00 0.00 N ATOM 0 H ARG A 51 6.262 -7.811 18.750 1.00 0.00 H new ATOM 0 HA ARG A 51 6.199 -9.666 16.645 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.355 -10.143 19.651 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.777 -11.294 18.398 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.608 -9.786 17.625 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.182 -8.628 18.870 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.673 -10.399 20.621 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.206 -11.471 19.341 1.00 0.00 H new ATOM 0 HE ARG A 51 10.616 -8.993 20.276 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.371 -11.620 17.816 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.025 -11.398 17.237 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.791 -8.722 19.491 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.403 -9.749 18.190 1.00 0.00 H new ATOM 841 N SER A 52 3.764 -9.455 18.880 1.00 0.00 N ATOM 842 CA SER A 52 2.419 -9.791 19.229 1.00 0.00 C ATOM 843 C SER A 52 1.456 -9.284 18.204 1.00 0.00 C ATOM 844 O SER A 52 0.495 -9.999 17.929 1.00 0.00 O ATOM 845 CB SER A 52 2.009 -9.317 20.632 1.00 0.00 C ATOM 846 OG SER A 52 0.733 -9.826 20.984 1.00 0.00 O ATOM 0 H SER A 52 4.162 -8.725 19.471 1.00 0.00 H new ATOM 0 HA SER A 52 2.382 -10.880 19.250 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.750 -9.644 21.362 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.992 -8.228 20.662 1.00 0.00 H new ATOM 0 HG SER A 52 0.042 -9.177 20.735 1.00 0.00 H new ATOM 852 N ILE A 53 1.675 -8.065 17.628 1.00 0.00 N ATOM 853 CA ILE A 53 0.753 -7.491 16.666 1.00 0.00 C ATOM 854 C ILE A 53 0.728 -8.327 15.417 1.00 0.00 C ATOM 855 O ILE A 53 -0.339 -8.705 14.935 1.00 0.00 O ATOM 856 CB ILE A 53 0.929 -5.981 16.391 1.00 0.00 C ATOM 857 CG1 ILE A 53 -0.386 -5.293 15.985 1.00 0.00 C ATOM 858 CG2 ILE A 53 1.966 -5.610 15.313 1.00 0.00 C ATOM 859 CD1 ILE A 53 -1.436 -5.347 17.078 1.00 0.00 C ATOM 0 H ILE A 53 2.487 -7.481 17.829 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.232 -7.525 17.131 1.00 0.00 H new ATOM 0 HB ILE A 53 1.292 -5.625 17.355 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.184 -4.252 15.732 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.778 -5.769 15.086 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.006 -4.526 15.204 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.947 -5.981 15.609 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.680 -6.060 14.362 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.342 -4.847 16.737 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.662 -6.387 17.314 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.059 -4.846 17.970 1.00 0.00 H new ATOM 871 N LYS A 54 1.936 -8.665 14.928 1.00 0.00 N ATOM 872 CA LYS A 54 2.173 -9.452 13.744 1.00 0.00 C ATOM 873 C LYS A 54 1.603 -10.836 13.880 1.00 0.00 C ATOM 874 O LYS A 54 1.016 -11.367 12.934 1.00 0.00 O ATOM 875 CB LYS A 54 3.674 -9.560 13.409 1.00 0.00 C ATOM 876 CG LYS A 54 3.959 -10.067 11.988 1.00 0.00 C ATOM 877 CD LYS A 54 5.447 -10.034 11.604 1.00 0.00 C ATOM 878 CE LYS A 54 6.020 -8.621 11.451 1.00 0.00 C ATOM 879 NZ LYS A 54 7.427 -8.685 10.999 1.00 0.00 N ATOM 0 H LYS A 54 2.801 -8.374 15.383 1.00 0.00 H new ATOM 0 HA LYS A 54 1.669 -8.931 12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.136 -8.581 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.149 -10.230 14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.593 -11.089 11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.396 -9.462 11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.019 -10.567 12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.582 -10.573 10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.425 -8.056 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.960 -8.092 12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.804 -7.721 10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.993 -9.207 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.475 -9.172 10.081 1.00 0.00 H new ATOM 893 N ALA A 55 1.732 -11.432 15.091 1.00 0.00 N ATOM 894 CA ALA A 55 1.267 -12.762 15.384 1.00 0.00 C ATOM 895 C ALA A 55 -0.219 -12.895 15.558 1.00 0.00 C ATOM 896 O ALA A 55 -0.666 -13.976 15.940 1.00 0.00 O ATOM 897 CB ALA A 55 1.886 -13.328 16.672 1.00 0.00 C ATOM 0 H ALA A 55 2.173 -10.973 15.888 1.00 0.00 H new ATOM 0 HA ALA A 55 1.578 -13.314 14.497 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.503 -14.333 16.849 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.970 -13.366 16.568 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.624 -12.687 17.514 1.00 0.00 H new ATOM 903 N ILE A 56 -1.024 -11.841 15.252 1.00 0.00 N ATOM 904 CA ILE A 56 -2.444 -12.014 15.104 1.00 0.00 C ATOM 905 C ILE A 56 -2.656 -12.881 13.905 1.00 0.00 C ATOM 906 O ILE A 56 -3.469 -13.806 13.944 1.00 0.00 O ATOM 907 CB ILE A 56 -3.246 -10.720 14.984 1.00 0.00 C ATOM 908 CG1 ILE A 56 -3.644 -10.181 16.370 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.572 -10.925 14.226 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.504 -9.817 17.307 1.00 0.00 C ATOM 0 H ILE A 56 -0.693 -10.887 15.110 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.821 -12.470 16.019 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.595 -10.029 14.450 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.264 -9.296 16.227 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.265 -10.930 16.862 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.107 -9.977 14.166 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.363 -11.288 13.220 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.185 -11.655 14.755 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.911 -9.450 18.250 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.892 -10.699 17.495 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.891 -9.040 16.850 1.00 0.00 H new ATOM 922 N CYS A 57 -1.916 -12.594 12.814 1.00 0.00 N ATOM 923 CA CYS A 57 -2.196 -13.206 11.547 1.00 0.00 C ATOM 924 C CYS A 57 -1.278 -14.357 11.259 1.00 0.00 C ATOM 925 O CYS A 57 -0.826 -14.512 10.126 1.00 0.00 O ATOM 926 CB CYS A 57 -2.110 -12.215 10.374 1.00 0.00 C ATOM 927 SG CYS A 57 -3.139 -10.748 10.623 1.00 0.00 S ATOM 0 H CYS A 57 -1.130 -11.944 12.808 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.221 -13.567 11.632 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.073 -11.908 10.239 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.416 -12.717 9.456 1.00 0.00 H new ATOM 932 N GLU A 58 -1.008 -15.225 12.262 1.00 0.00 N ATOM 933 CA GLU A 58 -0.428 -16.507 11.970 1.00 0.00 C ATOM 934 C GLU A 58 -1.175 -17.535 12.733 1.00 0.00 C ATOM 935 O GLU A 58 -0.684 -18.636 12.989 1.00 0.00 O ATOM 936 CB GLU A 58 1.087 -16.593 12.260 1.00 0.00 C ATOM 937 CG GLU A 58 1.451 -16.317 13.727 1.00 0.00 C ATOM 938 CD GLU A 58 2.965 -16.221 13.846 1.00 0.00 C ATOM 939 OE1 GLU A 58 3.552 -15.285 13.240 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.554 -17.078 14.557 1.00 0.00 O ATOM 0 H GLU A 58 -1.186 -15.045 13.250 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.515 -16.676 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.445 -17.586 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.611 -15.879 11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.986 -15.390 14.063 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.072 -17.114 14.367 1.00 0.00 H new ATOM 947 N ASN A 59 -2.419 -17.136 13.038 1.00 0.00 N ATOM 948 CA ASN A 59 -3.433 -17.805 13.821 1.00 0.00 C ATOM 949 C ASN A 59 -2.900 -18.493 15.044 1.00 0.00 C ATOM 950 O ASN A 59 -3.008 -19.713 15.166 1.00 0.00 O ATOM 951 CB ASN A 59 -4.250 -18.839 13.024 1.00 0.00 C ATOM 952 CG ASN A 59 -5.020 -18.110 11.926 1.00 0.00 C ATOM 953 OD1 ASN A 59 -5.989 -17.393 12.206 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.575 -18.319 10.651 1.00 0.00 N ATOM 0 H ASN A 59 -2.762 -16.237 12.698 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.082 -16.983 14.123 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.589 -19.589 12.589 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.940 -19.366 13.684 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.048 -17.872 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.769 -18.922 10.484 1.00 0.00 H new ATOM 961 N LYS A 60 -2.309 -17.720 15.979 1.00 0.00 N ATOM 962 CA LYS A 60 -1.817 -18.267 17.213 1.00 0.00 C ATOM 963 C LYS A 60 -2.316 -17.357 18.272 1.00 0.00 C ATOM 964 O LYS A 60 -2.636 -17.785 19.379 1.00 0.00 O ATOM 965 CB LYS A 60 -0.278 -18.283 17.347 1.00 0.00 C ATOM 966 CG LYS A 60 0.448 -19.262 16.410 1.00 0.00 C ATOM 967 CD LYS A 60 0.137 -20.742 16.680 1.00 0.00 C ATOM 968 CE LYS A 60 0.805 -21.690 15.678 1.00 0.00 C ATOM 969 NZ LYS A 60 2.278 -21.581 15.756 1.00 0.00 N ATOM 0 H LYS A 60 -2.171 -16.714 15.881 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.151 -19.303 17.274 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.098 -17.277 17.159 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.021 -18.532 18.377 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.179 -19.028 15.380 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.523 -19.106 16.502 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.465 -20.998 17.687 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.942 -20.892 16.649 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.500 -22.716 15.882 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.471 -21.453 14.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.713 -22.333 15.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.577 -20.654 15.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.581 -21.679 16.746 1.00 0.00 H new ATOM 983 N ASN A 61 -2.367 -16.057 17.927 1.00 0.00 N ATOM 984 CA ASN A 61 -2.733 -15.024 18.845 1.00 0.00 C ATOM 985 C ASN A 61 -3.819 -14.259 18.156 1.00 0.00 C ATOM 986 O ASN A 61 -3.985 -13.057 18.344 1.00 0.00 O ATOM 987 CB ASN A 61 -1.524 -14.125 19.180 1.00 0.00 C ATOM 988 CG ASN A 61 -1.846 -13.155 20.313 1.00 0.00 C ATOM 989 OD1 ASN A 61 -2.266 -13.555 21.404 1.00 0.00 O ATOM 990 ND2 ASN A 61 -1.627 -11.841 20.010 1.00 0.00 N ATOM 0 H ASN A 61 -2.149 -15.717 16.990 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.071 -15.424 19.801 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.674 -14.746 19.462 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.229 -13.565 18.293 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.812 -11.119 20.707 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.278 -11.582 19.087 1.00 0.00 H new ATOM 997 N GLY A 62 -4.611 -14.959 17.327 1.00 0.00 N ATOM 998 CA GLY A 62 -5.741 -14.322 16.733 1.00 0.00 C ATOM 999 C GLY A 62 -6.549 -15.385 16.076 1.00 0.00 C ATOM 1000 O GLY A 62 -6.014 -16.401 15.637 1.00 0.00 O ATOM 0 H GLY A 62 -4.475 -15.938 17.073 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.330 -13.802 17.488 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.424 -13.575 16.006 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.878 -15.166 16.033 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.816 -16.121 15.518 1.00 0.00 C ATOM 1006 C ASN A 63 -9.651 -15.334 14.553 1.00 0.00 C ATOM 1007 O ASN A 63 -9.819 -14.141 14.806 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.702 -16.762 16.617 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.327 -15.720 17.553 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.454 -15.258 17.340 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.572 -15.394 18.648 1.00 0.00 N ATOM 0 H ASN A 63 -8.312 -14.304 16.364 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.301 -16.964 15.058 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.494 -17.344 16.146 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.101 -17.457 17.203 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.934 -14.738 19.340 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.648 -15.807 18.771 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.154 -15.898 13.457 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.658 -15.131 12.347 1.00 0.00 C ATOM 1020 C PRO A 64 -11.991 -14.575 12.739 1.00 0.00 C ATOM 1021 O PRO A 64 -12.831 -15.302 13.268 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.780 -16.126 11.190 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.803 -17.506 11.853 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.962 -17.294 13.109 1.00 0.00 C ATOM 0 HA PRO A 64 -10.019 -14.295 12.062 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.688 -15.950 10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.941 -16.034 10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.818 -17.821 12.095 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.377 -18.272 11.206 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.286 -17.950 13.917 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.911 -17.513 12.922 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.172 -13.267 12.476 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.344 -12.534 12.832 1.00 0.00 C ATOM 1034 C HIS A 65 -14.077 -12.253 11.558 1.00 0.00 C ATOM 1035 O HIS A 65 -13.935 -11.183 10.970 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.991 -11.210 13.541 1.00 0.00 C ATOM 1037 CG HIS A 65 -14.171 -10.344 13.855 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.157 -10.719 14.727 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.487 -9.110 13.400 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -16.047 -9.738 14.795 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.663 -8.748 13.999 1.00 0.00 N ATOM 0 H HIS A 65 -11.473 -12.700 11.996 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.952 -13.112 13.528 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.465 -11.437 14.468 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.300 -10.648 12.912 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.918 -8.521 12.696 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.941 -9.744 15.401 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.159 -7.868 13.858 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.899 -13.240 11.139 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.818 -13.162 10.033 1.00 0.00 C ATOM 1052 C ARG A 66 -15.105 -13.170 8.706 1.00 0.00 C ATOM 1053 O ARG A 66 -14.725 -14.234 8.219 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.898 -12.056 10.188 1.00 0.00 C ATOM 1055 CG ARG A 66 -18.288 -12.423 9.631 1.00 0.00 C ATOM 1056 CD ARG A 66 -18.454 -12.303 8.111 1.00 0.00 C ATOM 1057 NE ARG A 66 -19.841 -12.725 7.748 1.00 0.00 N ATOM 1058 CZ ARG A 66 -20.142 -14.015 7.410 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -19.183 -14.986 7.416 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -21.423 -14.338 7.064 1.00 0.00 N ATOM 0 H ARG A 66 -14.924 -14.149 11.601 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.404 -14.081 10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.999 -11.813 11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.548 -11.154 9.686 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.515 -13.449 9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.030 -11.784 10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.275 -11.277 7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.722 -12.929 7.600 1.00 0.00 H new ATOM 0 HE ARG A 66 -20.586 -12.029 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.224 -14.754 7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.425 -15.943 7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -22.147 -13.619 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.656 -15.298 6.810 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.958 -11.985 8.077 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.574 -11.858 6.702 1.00 0.00 C ATOM 1076 C GLU A 67 -13.257 -11.161 6.665 1.00 0.00 C ATOM 1077 O GLU A 67 -13.176 -9.954 6.436 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.611 -11.079 5.864 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.344 -11.100 4.352 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.526 -10.432 3.665 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.756 -9.221 3.924 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -17.215 -11.126 2.871 1.00 0.00 O ATOM 0 H GLU A 67 -15.111 -11.089 8.540 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.511 -12.853 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.600 -11.496 6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.631 -10.043 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.419 -10.573 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.225 -12.124 3.999 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.195 -11.965 6.889 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.780 -11.674 6.754 1.00 0.00 C ATOM 1091 C ASN A 68 -10.268 -10.614 7.691 1.00 0.00 C ATOM 1092 O ASN A 68 -9.224 -10.011 7.445 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.236 -11.488 5.301 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.852 -10.328 4.499 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.716 -10.562 3.644 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.383 -9.071 4.762 1.00 0.00 N ATOM 0 H ASN A 68 -12.339 -12.926 7.199 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.345 -12.619 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.158 -11.336 5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.401 -12.414 4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.747 -8.272 4.243 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.670 -8.932 5.478 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.980 -10.394 8.814 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.539 -9.512 9.849 1.00 0.00 C ATOM 1105 C LEU A 69 -10.107 -10.484 10.874 1.00 0.00 C ATOM 1106 O LEU A 69 -10.440 -11.661 10.755 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.644 -8.605 10.415 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.517 -7.889 9.357 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.591 -7.036 10.051 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.720 -7.017 8.372 1.00 0.00 C ATOM 0 H LEU A 69 -11.878 -10.838 9.005 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.783 -8.807 9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.293 -9.205 11.052 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.182 -7.851 11.052 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.977 -8.679 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.201 -6.536 9.299 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.225 -7.677 10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.110 -6.290 10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.404 -6.550 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.184 -6.244 8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.006 -7.638 7.831 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.335 -10.048 11.885 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.821 -11.032 12.791 1.00 0.00 C ATOM 1124 C ARG A 70 -8.648 -10.416 14.135 1.00 0.00 C ATOM 1125 O ARG A 70 -7.827 -9.518 14.327 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.509 -11.656 12.280 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.198 -13.007 12.930 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.220 -13.862 12.127 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.931 -14.297 10.890 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.260 -14.831 9.828 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -4.908 -15.005 9.879 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.950 -15.194 8.708 1.00 0.00 N ATOM 0 H ARG A 70 -9.077 -9.079 12.072 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.538 -11.850 12.863 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.571 -11.784 11.199 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.686 -10.968 12.473 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.786 -12.836 13.924 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.128 -13.560 13.061 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.325 -13.292 11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.896 -14.725 12.708 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.944 -14.193 10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.390 -14.735 10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.415 -15.405 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.961 -15.066 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.455 -15.594 7.911 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.458 -10.911 15.094 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.480 -10.389 16.427 1.00 0.00 C ATOM 1148 C ILE A 71 -8.397 -11.086 17.177 1.00 0.00 C ATOM 1149 O ILE A 71 -8.188 -12.284 17.005 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.842 -10.527 17.105 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.917 -9.687 18.398 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.225 -12.002 17.349 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.345 -9.475 18.906 1.00 0.00 C ATOM 0 H ILE A 71 -10.106 -11.684 14.940 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.306 -9.313 16.408 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.585 -10.126 16.416 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.332 -10.179 19.176 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.456 -8.716 18.218 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.201 -12.049 17.833 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.266 -12.530 16.396 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.479 -12.470 17.991 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.322 -8.877 19.817 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.928 -8.956 18.146 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.803 -10.441 19.118 1.00 0.00 H new ATOM 1165 N SER A 72 -7.676 -10.325 18.022 1.00 0.00 N ATOM 1166 CA SER A 72 -6.568 -10.850 18.769 1.00 0.00 C ATOM 1167 C SER A 72 -7.032 -11.588 19.988 1.00 0.00 C ATOM 1168 O SER A 72 -8.210 -11.563 20.339 1.00 0.00 O ATOM 1169 CB SER A 72 -5.602 -9.754 19.241 1.00 0.00 C ATOM 1170 OG SER A 72 -6.208 -8.916 20.206 1.00 0.00 O ATOM 0 H SER A 72 -7.861 -9.336 18.190 1.00 0.00 H new ATOM 0 HA SER A 72 -6.051 -11.521 18.083 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.708 -10.212 19.664 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.281 -9.157 18.388 1.00 0.00 H new ATOM 0 HG SER A 72 -5.529 -8.333 20.606 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.079 -12.272 20.658 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.357 -13.041 21.838 1.00 0.00 C ATOM 1178 C LYS A 73 -5.592 -12.459 22.983 1.00 0.00 C ATOM 1179 O LYS A 73 -5.800 -12.862 24.127 1.00 0.00 O ATOM 1180 CB LYS A 73 -5.919 -14.512 21.726 1.00 0.00 C ATOM 1181 CG LYS A 73 -6.682 -15.304 20.656 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.210 -16.761 20.575 1.00 0.00 C ATOM 1183 CE LYS A 73 -6.849 -17.549 19.432 1.00 0.00 C ATOM 1184 NZ LYS A 73 -6.267 -18.907 19.359 1.00 0.00 N ATOM 0 H LYS A 73 -5.099 -12.291 20.375 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.437 -13.007 21.979 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.853 -14.548 21.501 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.057 -14.997 22.692 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.749 -15.280 20.879 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.548 -14.825 19.686 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.127 -16.777 20.455 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.434 -17.259 21.518 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.926 -17.615 19.584 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.692 -17.027 18.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.709 -19.433 18.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.243 -18.837 19.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.439 -19.407 20.254 1.00 0.00 H new ATOM 1198 N SER A 74 -4.676 -11.507 22.701 1.00 0.00 N ATOM 1199 CA SER A 74 -3.879 -10.893 23.715 1.00 0.00 C ATOM 1200 C SER A 74 -4.085 -9.443 23.506 1.00 0.00 C ATOM 1201 O SER A 74 -3.440 -8.835 22.655 1.00 0.00 O ATOM 1202 CB SER A 74 -2.375 -11.193 23.627 1.00 0.00 C ATOM 1203 OG SER A 74 -1.674 -10.472 24.629 1.00 0.00 O ATOM 0 H SER A 74 -4.490 -11.163 21.759 1.00 0.00 H new ATOM 0 HA SER A 74 -4.182 -11.274 24.690 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.202 -12.262 23.749 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.999 -10.920 22.641 1.00 0.00 H new ATOM 0 HG SER A 74 -0.716 -10.671 24.566 1.00 0.00 H new ATOM 1209 N SER A 75 -5.028 -8.907 24.299 1.00 0.00 N ATOM 1210 CA SER A 75 -5.416 -7.522 24.392 1.00 0.00 C ATOM 1211 C SER A 75 -4.248 -6.597 24.525 1.00 0.00 C ATOM 1212 O SER A 75 -3.386 -6.769 25.386 1.00 0.00 O ATOM 1213 CB SER A 75 -6.304 -7.248 25.615 1.00 0.00 C ATOM 1214 OG SER A 75 -7.512 -7.988 25.531 1.00 0.00 O ATOM 0 H SER A 75 -5.571 -9.492 24.935 1.00 0.00 H new ATOM 0 HA SER A 75 -5.951 -7.336 23.461 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.770 -7.516 26.526 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.527 -6.183 25.678 1.00 0.00 H new ATOM 0 HG SER A 75 -7.582 -8.401 24.645 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.223 -5.583 23.638 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.154 -4.633 23.550 1.00 0.00 C ATOM 1222 C PHE A 76 -3.645 -3.408 24.213 1.00 0.00 C ATOM 1223 O PHE A 76 -4.852 -3.159 24.266 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.786 -4.207 22.107 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.254 -5.353 21.311 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.145 -6.295 20.844 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.909 -5.476 20.985 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.696 -7.396 20.163 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.453 -6.568 20.260 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.357 -7.546 19.890 1.00 0.00 C ATOM 0 H PHE A 76 -4.969 -5.419 22.962 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.272 -5.096 23.992 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.667 -3.798 21.612 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.042 -3.411 22.141 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.203 -6.165 21.016 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.211 -4.714 21.299 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.398 -8.150 19.839 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.589 -6.652 19.990 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.009 -8.434 19.383 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.679 -2.614 24.722 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.983 -1.361 25.323 1.00 0.00 C ATOM 1242 C GLN A 77 -3.219 -0.398 24.239 1.00 0.00 C ATOM 1243 O GLN A 77 -2.653 -0.522 23.161 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.907 -0.818 26.286 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.199 -1.845 27.168 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.818 -1.129 28.458 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.102 -0.304 28.499 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.594 -1.461 29.536 1.00 0.00 N ATOM 0 H GLN A 77 -1.686 -2.848 24.713 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.862 -1.509 25.951 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.153 -0.298 25.696 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.373 -0.076 26.934 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.852 -2.693 27.375 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.314 -2.239 26.669 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.339 -2.151 29.435 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.428 -1.019 30.440 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.107 0.573 24.491 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.583 1.414 23.441 1.00 0.00 C ATOM 1259 C VAL A 78 -4.716 2.765 24.070 1.00 0.00 C ATOM 1260 O VAL A 78 -5.062 2.887 25.240 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.895 0.857 22.920 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.995 1.913 22.698 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.522 0.082 21.645 1.00 0.00 C ATOM 0 H VAL A 78 -4.494 0.776 25.413 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.923 1.471 22.575 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.359 0.209 23.664 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.896 1.427 22.325 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.216 2.412 23.641 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.652 2.648 21.970 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.421 -0.353 21.207 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.061 0.761 20.928 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.819 -0.713 21.895 1.00 0.00 H new ATOM 1273 N THR A 79 -4.424 3.824 23.295 1.00 0.00 N ATOM 1274 CA THR A 79 -4.714 5.162 23.706 1.00 0.00 C ATOM 1275 C THR A 79 -5.289 5.753 22.470 1.00 0.00 C ATOM 1276 O THR A 79 -4.572 6.094 21.529 1.00 0.00 O ATOM 1277 CB THR A 79 -3.524 5.953 24.208 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.036 5.381 25.413 1.00 0.00 O ATOM 1279 CG2 THR A 79 -3.936 7.402 24.509 1.00 0.00 C ATOM 0 H THR A 79 -3.984 3.752 22.378 1.00 0.00 H new ATOM 0 HA THR A 79 -5.375 5.180 24.572 1.00 0.00 H new ATOM 0 HB THR A 79 -2.755 5.933 23.436 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.444 4.629 25.202 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.071 7.959 24.869 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.315 7.869 23.600 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.714 7.408 25.272 1.00 0.00 H new ATOM 1287 N THR A 80 -6.631 5.854 22.466 1.00 0.00 N ATOM 1288 CA THR A 80 -7.370 6.356 21.353 1.00 0.00 C ATOM 1289 C THR A 80 -7.416 7.836 21.499 1.00 0.00 C ATOM 1290 O THR A 80 -8.065 8.353 22.403 1.00 0.00 O ATOM 1291 CB THR A 80 -8.773 5.806 21.315 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.724 4.389 21.330 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.487 6.260 20.036 1.00 0.00 C ATOM 0 H THR A 80 -7.215 5.580 23.256 1.00 0.00 H new ATOM 0 HA THR A 80 -6.887 6.053 20.424 1.00 0.00 H new ATOM 0 HB THR A 80 -9.317 6.175 22.184 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.636 4.030 21.307 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.499 5.856 20.021 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.531 7.349 20.011 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.939 5.899 19.166 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.729 8.554 20.589 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.750 9.982 20.608 1.00 0.00 C ATOM 1303 C CYS A 81 -7.915 10.367 19.774 1.00 0.00 C ATOM 1304 O CYS A 81 -7.939 10.094 18.575 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.518 10.626 19.952 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.974 10.110 20.733 1.00 0.00 S ATOM 0 H CYS A 81 -6.163 8.146 19.845 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.782 10.315 21.646 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.493 10.362 18.895 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.605 11.711 20.008 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.906 11.012 20.409 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.061 11.469 19.702 1.00 0.00 C ATOM 1313 C LYS A 82 -9.933 12.953 19.747 1.00 0.00 C ATOM 1314 O LYS A 82 -9.483 13.505 20.747 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.398 11.066 20.359 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.630 11.417 19.511 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.955 11.136 20.222 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.157 11.646 19.422 1.00 0.00 C ATOM 1319 NZ LYS A 82 -16.412 11.411 20.168 1.00 0.00 N ATOM 0 H LYS A 82 -8.909 11.217 21.408 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.090 11.033 18.703 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.391 9.993 20.548 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.481 11.560 21.327 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.588 12.472 19.241 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.597 10.848 18.582 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.058 10.063 20.386 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.947 11.609 21.204 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.041 12.711 19.219 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.200 11.141 18.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.217 11.762 19.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.528 10.392 20.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.374 11.913 21.078 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.320 13.616 18.643 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.229 15.037 18.484 1.00 0.00 C ATOM 1335 C LEU A 83 -11.336 15.631 19.286 1.00 0.00 C ATOM 1336 O LEU A 83 -12.511 15.331 19.079 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.438 15.419 17.000 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.238 16.890 16.578 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -8.793 17.153 16.137 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -11.191 17.226 15.418 1.00 0.00 C ATOM 0 H LEU A 83 -10.712 13.145 17.828 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.252 15.396 18.806 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.760 14.809 16.403 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.453 15.131 16.724 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.455 17.522 17.439 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.686 18.198 15.846 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.115 16.935 16.962 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.549 16.514 15.289 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.050 18.265 15.120 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.978 16.574 14.571 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.222 17.078 15.740 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.943 16.494 20.238 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.845 17.107 21.158 1.00 0.00 C ATOM 1354 C HIS A 84 -11.504 18.558 21.110 1.00 0.00 C ATOM 1355 O HIS A 84 -11.037 19.143 22.084 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.632 16.549 22.574 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.469 17.174 23.647 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -13.837 17.170 23.633 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -12.080 17.793 24.785 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -14.265 17.776 24.733 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.218 18.164 25.450 1.00 0.00 N ATOM 0 H HIS A 84 -9.971 16.773 20.371 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.888 16.919 20.903 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.834 15.478 22.558 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.582 16.671 22.839 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.064 17.963 25.108 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.300 17.929 25.002 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.255 18.655 26.344 1.00 0.00 H new ATOM 1370 N GLY A 85 -11.731 19.164 19.933 1.00 0.00 N ATOM 1371 CA GLY A 85 -11.457 20.554 19.740 1.00 0.00 C ATOM 1372 C GLY A 85 -12.414 21.001 18.699 1.00 0.00 C ATOM 1373 O GLY A 85 -13.098 22.013 18.854 1.00 0.00 O ATOM 0 H GLY A 85 -12.106 18.690 19.111 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.593 21.114 20.665 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.427 20.711 19.421 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.469 20.218 17.607 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.352 20.475 16.506 1.00 0.00 C ATOM 1379 C GLY A 86 -12.655 21.378 15.548 1.00 0.00 C ATOM 1380 O GLY A 86 -13.288 22.196 14.884 1.00 0.00 O ATOM 0 H GLY A 86 -11.889 19.388 17.484 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.629 19.542 16.015 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.275 20.935 16.859 1.00 0.00 H new ATOM 1384 N SER A 87 -11.318 21.230 15.470 1.00 0.00 N ATOM 1385 CA SER A 87 -10.496 21.975 14.564 1.00 0.00 C ATOM 1386 C SER A 87 -10.104 21.004 13.489 1.00 0.00 C ATOM 1387 O SER A 87 -9.531 19.972 13.833 1.00 0.00 O ATOM 1388 CB SER A 87 -9.208 22.474 15.234 1.00 0.00 C ATOM 1389 OG SER A 87 -9.523 23.339 16.315 1.00 0.00 O ATOM 0 H SER A 87 -10.795 20.575 16.052 1.00 0.00 H new ATOM 0 HA SER A 87 -11.040 22.846 14.199 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.625 21.627 15.594 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.590 23.000 14.506 1.00 0.00 H new ATOM 0 HG SER A 87 -8.695 23.650 16.737 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.349 21.250 12.207 1.00 0.00 N ATOM 1396 CA PRO A 88 -9.858 20.385 11.169 1.00 0.00 C ATOM 1397 C PRO A 88 -8.420 20.721 10.926 1.00 0.00 C ATOM 1398 O PRO A 88 -7.692 19.857 10.448 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.673 20.741 9.924 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.933 21.418 10.465 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.437 22.092 11.743 1.00 0.00 C ATOM 0 HA PRO A 88 -9.944 19.328 11.423 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.117 21.408 9.264 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.919 19.851 9.344 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.338 22.142 9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.723 20.696 10.670 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.095 23.108 11.547 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.230 22.160 12.488 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.017 21.976 11.196 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.725 22.465 10.827 1.00 0.00 C ATOM 1411 C TRP A 89 -5.892 22.537 12.065 1.00 0.00 C ATOM 1412 O TRP A 89 -6.469 22.789 13.121 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.834 23.862 10.203 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.821 23.831 9.065 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.094 24.319 9.011 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.620 23.074 7.860 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.689 23.941 7.831 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.798 23.162 7.121 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.553 22.343 7.420 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.923 22.518 5.923 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.688 21.672 6.225 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.854 21.760 5.485 1.00 0.00 C ATOM 0 H TRP A 89 -8.598 22.662 11.678 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.274 21.798 10.092 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.153 24.583 10.955 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.858 24.188 9.843 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.564 24.913 9.780 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.630 24.194 7.531 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.636 22.293 7.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.827 22.599 5.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.871 21.068 5.860 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.930 21.227 4.549 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.580 22.331 12.010 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.762 22.254 13.191 1.00 0.00 C ATOM 1435 C PRO A 90 -3.579 23.672 13.700 1.00 0.00 C ATOM 1436 O PRO A 90 -3.469 24.546 12.840 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.437 21.637 12.724 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.411 21.834 11.207 1.00 0.00 C ATOM 1439 CD PRO A 90 -3.890 21.841 10.829 1.00 0.00 C ATOM 0 HA PRO A 90 -4.186 21.656 13.997 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.587 22.126 13.199 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.382 20.580 12.984 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.921 22.768 10.931 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.871 21.030 10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.074 22.485 9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.232 20.842 10.558 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.523 23.992 14.993 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.402 23.044 16.068 1.00 0.00 C ATOM 1449 C PRO A 91 -4.730 22.474 16.418 1.00 0.00 C ATOM 1450 O PRO A 91 -5.771 23.029 16.069 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.905 23.828 17.269 1.00 0.00 C ATOM 1452 CG PRO A 91 -2.190 25.019 16.649 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.000 25.288 15.381 1.00 0.00 C ATOM 0 HA PRO A 91 -2.735 22.231 15.781 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.728 24.144 17.910 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.231 23.233 17.885 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.188 25.881 17.317 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.149 24.790 16.421 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.805 25.999 15.569 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.375 25.714 14.596 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.661 21.328 17.104 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.777 20.453 17.303 1.00 0.00 C ATOM 1463 C CYS A 92 -5.599 19.819 18.635 1.00 0.00 C ATOM 1464 O CYS A 92 -4.564 19.212 18.898 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.816 19.311 16.270 1.00 0.00 C ATOM 1466 SG CYS A 92 -6.379 19.908 14.654 1.00 0.00 S ATOM 0 H CYS A 92 -3.801 20.993 17.538 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.693 21.037 17.212 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.823 18.871 16.173 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.481 18.522 16.621 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.626 19.947 19.499 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.599 19.349 20.800 1.00 0.00 C ATOM 1473 C GLN A 93 -7.058 17.937 20.654 1.00 0.00 C ATOM 1474 O GLN A 93 -8.100 17.677 20.056 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.503 20.075 21.817 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.431 19.500 23.238 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.160 20.457 24.179 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -9.362 20.709 24.037 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -7.389 20.996 25.172 1.00 0.00 N ATOM 0 H GLN A 93 -7.479 20.468 19.294 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.582 19.414 21.187 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.225 21.128 21.848 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.535 20.028 21.469 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.889 18.512 23.272 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.393 19.381 23.547 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.401 20.751 25.240 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.802 21.643 25.844 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.263 16.999 21.209 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.595 15.606 21.214 1.00 0.00 C ATOM 1490 C TYR A 94 -6.719 15.183 22.632 1.00 0.00 C ATOM 1491 O TYR A 94 -5.760 15.271 23.396 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.506 14.727 20.601 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.590 14.873 19.128 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.563 14.170 18.451 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.721 15.685 18.427 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.684 14.273 17.083 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.847 15.808 17.059 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.812 15.086 16.390 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.843 15.101 14.986 1.00 0.00 O ATOM 0 H TYR A 94 -5.374 17.213 21.662 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.508 15.487 20.631 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.522 15.029 20.960 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.646 13.686 20.891 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.239 13.531 19.000 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.944 16.223 18.949 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.452 13.724 16.559 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.190 16.469 16.513 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.639 14.625 14.671 1.00 0.00 H new ATOM 1509 N ARG A 95 -7.920 14.696 22.990 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.201 14.209 24.313 1.00 0.00 C ATOM 1511 C ARG A 95 -8.049 12.720 24.245 1.00 0.00 C ATOM 1512 O ARG A 95 -8.642 12.068 23.388 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.619 14.625 24.757 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.951 14.587 26.264 1.00 0.00 C ATOM 1515 CD ARG A 95 -10.251 13.216 26.888 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.209 12.462 26.019 1.00 0.00 N ATOM 1517 CZ ARG A 95 -12.565 12.612 26.113 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -13.115 13.452 27.036 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -13.377 11.914 25.266 1.00 0.00 N ATOM 0 H ARG A 95 -8.714 14.637 22.352 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.521 14.630 25.054 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.794 15.641 24.403 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.332 13.980 24.242 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.113 15.027 26.805 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.814 15.231 26.435 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.327 12.649 27.004 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.673 13.344 27.885 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.835 11.810 25.329 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.513 13.979 27.669 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.128 13.553 27.094 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.971 11.287 24.571 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.390 12.019 25.328 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.235 12.162 25.165 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.939 10.757 25.188 1.00 0.00 C ATOM 1535 C ALA A 96 -8.006 9.996 25.901 1.00 0.00 C ATOM 1536 O ALA A 96 -8.336 10.291 27.048 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.661 10.447 25.979 1.00 0.00 C ATOM 0 H ALA A 96 -6.775 12.694 25.904 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.844 10.472 24.140 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.478 9.372 25.968 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.816 10.963 25.523 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.779 10.785 27.009 1.00 0.00 H new ATOM 1543 N THR A 97 -8.534 8.959 25.224 1.00 0.00 N ATOM 1544 CA THR A 97 -9.449 8.020 25.802 1.00 0.00 C ATOM 1545 C THR A 97 -8.692 6.729 25.830 1.00 0.00 C ATOM 1546 O THR A 97 -8.580 6.047 24.812 1.00 0.00 O ATOM 1547 CB THR A 97 -10.711 7.871 24.987 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.279 9.154 24.772 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.732 6.987 25.728 1.00 0.00 C ATOM 0 H THR A 97 -8.318 8.767 24.246 1.00 0.00 H new ATOM 0 HA THR A 97 -9.778 8.346 26.789 1.00 0.00 H new ATOM 0 HB THR A 97 -10.462 7.402 24.035 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.098 9.064 24.242 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.635 6.891 25.125 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.303 6.000 25.898 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.982 7.444 26.686 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.142 6.377 27.010 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.324 5.205 27.150 1.00 0.00 C ATOM 1559 C ALA A 98 -8.198 3.998 27.284 1.00 0.00 C ATOM 1560 O ALA A 98 -9.125 3.979 28.091 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.409 5.261 28.382 1.00 0.00 C ATOM 0 H ALA A 98 -8.264 6.907 27.873 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.698 5.154 26.259 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.815 4.349 28.436 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.745 6.122 28.304 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.016 5.352 29.282 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.895 2.960 26.475 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.622 1.724 26.491 1.00 0.00 C ATOM 1569 C GLY A 99 -7.612 0.626 26.521 1.00 0.00 C ATOM 1570 O GLY A 99 -6.411 0.868 26.580 1.00 0.00 O ATOM 0 H GLY A 99 -7.132 2.981 25.799 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.275 1.672 27.362 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.258 1.639 25.610 1.00 0.00 H new ATOM 1574 N PHE A 100 -8.084 -0.629 26.483 1.00 0.00 N ATOM 1575 CA PHE A 100 -7.206 -1.761 26.538 1.00 0.00 C ATOM 1576 C PHE A 100 -8.096 -2.863 26.056 1.00 0.00 C ATOM 1577 O PHE A 100 -9.006 -3.278 26.773 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.678 -2.021 27.978 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.862 -3.266 28.075 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.516 -3.275 27.753 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -6.443 -4.423 28.567 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.805 -4.456 27.824 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.716 -5.588 28.682 1.00 0.00 C ATOM 1584 CZ PHE A 100 -4.394 -5.610 28.292 1.00 0.00 C ATOM 0 H PHE A 100 -9.074 -0.865 26.414 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.298 -1.642 25.947 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -6.076 -1.171 28.299 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.523 -2.091 28.663 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.025 -2.363 27.448 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.481 -4.412 28.865 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.772 -4.476 27.508 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.180 -6.480 29.076 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.824 -6.525 28.353 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.883 -3.338 24.805 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.811 -4.283 24.235 1.00 0.00 C ATOM 1596 C ARG A 101 -8.149 -5.060 23.138 1.00 0.00 C ATOM 1597 O ARG A 101 -7.039 -4.734 22.717 1.00 0.00 O ATOM 1598 CB ARG A 101 -10.127 -3.659 23.687 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.988 -2.657 22.523 1.00 0.00 C ATOM 1600 CD ARG A 101 -10.905 -2.967 21.322 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.207 -2.234 21.403 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.335 -2.783 21.947 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -13.307 -4.005 22.552 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.516 -2.101 21.872 1.00 0.00 N ATOM 0 H ARG A 101 -7.098 -3.080 24.207 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.099 -4.930 25.064 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.778 -4.470 23.361 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.633 -3.155 24.511 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.211 -1.655 22.890 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.952 -2.649 22.185 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -10.394 -2.697 20.398 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.095 -4.039 21.279 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.255 -1.283 21.036 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.433 -4.528 22.605 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.160 -4.396 22.951 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.551 -1.191 21.413 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.363 -2.502 22.275 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.853 -6.115 22.661 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.435 -6.931 21.554 1.00 0.00 C ATOM 1620 C ASN A 102 -8.536 -6.149 20.291 1.00 0.00 C ATOM 1621 O ASN A 102 -9.561 -5.536 20.006 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.360 -8.128 21.280 1.00 0.00 C ATOM 1623 CG ASN A 102 -9.175 -9.257 22.291 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -8.142 -9.385 22.955 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.224 -10.137 22.345 1.00 0.00 N ATOM 0 H ASN A 102 -9.744 -6.408 23.062 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.431 -7.260 21.822 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.397 -7.793 21.301 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -9.168 -8.509 20.277 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.176 -10.951 22.958 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.053 -9.978 21.772 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.458 -6.193 19.491 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.394 -5.443 18.272 1.00 0.00 C ATOM 1634 C VAL A 103 -7.901 -6.320 17.170 1.00 0.00 C ATOM 1635 O VAL A 103 -7.515 -7.482 17.067 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.005 -4.926 17.958 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.624 -3.903 19.046 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -4.976 -6.070 17.888 1.00 0.00 C ATOM 0 H VAL A 103 -6.626 -6.750 19.687 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.013 -4.552 18.379 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.003 -4.451 16.977 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.626 -3.513 18.845 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.342 -3.083 19.042 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.634 -4.389 20.022 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.992 -5.661 17.661 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.941 -6.587 18.847 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.266 -6.773 17.107 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.790 -5.768 16.316 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.294 -6.479 15.173 1.00 0.00 C ATOM 1650 C VAL A 104 -8.486 -5.980 14.018 1.00 0.00 C ATOM 1651 O VAL A 104 -8.896 -5.059 13.312 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.775 -6.254 14.917 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.243 -7.020 13.664 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.548 -6.776 16.135 1.00 0.00 C ATOM 0 H VAL A 104 -9.162 -4.824 16.418 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.202 -7.553 15.333 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.955 -5.191 14.756 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.306 -6.841 13.504 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.682 -6.674 12.796 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.072 -8.087 13.805 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.616 -6.627 15.979 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.345 -7.839 16.267 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.232 -6.233 17.026 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.296 -6.579 13.815 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.408 -6.138 12.769 1.00 0.00 C ATOM 1666 C VAL A 105 -6.730 -7.069 11.632 1.00 0.00 C ATOM 1667 O VAL A 105 -6.939 -8.260 11.853 1.00 0.00 O ATOM 1668 CB VAL A 105 -4.930 -6.125 13.118 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.701 -5.092 14.234 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.386 -7.479 13.581 1.00 0.00 C ATOM 0 H VAL A 105 -6.947 -7.362 14.367 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.572 -5.085 12.539 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.393 -5.872 12.204 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.644 -5.069 14.497 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.009 -4.106 13.886 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.287 -5.367 15.111 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.325 -7.385 13.811 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.923 -7.801 14.473 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.522 -8.216 12.789 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.815 -6.545 10.395 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.209 -7.349 9.271 1.00 0.00 C ATOM 1682 C ALA A 106 -5.988 -7.721 8.508 1.00 0.00 C ATOM 1683 O ALA A 106 -5.107 -6.889 8.299 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.175 -6.643 8.317 1.00 0.00 C ATOM 0 H ALA A 106 -6.613 -5.571 10.170 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.732 -8.218 9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.427 -7.312 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.083 -6.371 8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.704 -5.743 7.922 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.929 -9.006 8.094 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.740 -9.598 7.557 1.00 0.00 C ATOM 1692 C CYS A 107 -4.764 -9.614 6.067 1.00 0.00 C ATOM 1693 O CYS A 107 -5.815 -9.730 5.439 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.551 -11.057 8.002 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.884 -11.275 9.768 1.00 0.00 S ATOM 0 H CYS A 107 -6.724 -9.644 8.134 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.925 -8.981 7.935 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.215 -11.701 7.426 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.531 -11.374 7.783 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.554 -9.532 5.485 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.315 -9.740 4.090 1.00 0.00 C ATOM 1702 C GLU A 108 -1.944 -10.318 4.087 1.00 0.00 C ATOM 1703 O GLU A 108 -1.025 -9.704 4.621 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.293 -8.436 3.267 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.032 -8.612 1.767 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.058 -7.225 1.135 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.187 -6.390 1.499 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -3.952 -6.984 0.280 1.00 0.00 O ATOM 0 H GLU A 108 -2.707 -9.312 6.008 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.097 -10.353 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.249 -7.929 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.526 -7.779 3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.068 -9.093 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.791 -9.253 1.318 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.794 -11.524 3.491 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.572 -12.291 3.342 1.00 0.00 C ATOM 1717 C ASN A 109 0.047 -12.765 4.634 1.00 0.00 C ATOM 1718 O ASN A 109 1.222 -13.133 4.659 1.00 0.00 O ATOM 1719 CB ASN A 109 0.505 -11.714 2.369 1.00 0.00 C ATOM 1720 CG ASN A 109 1.245 -10.445 2.831 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.136 -10.477 3.688 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.878 -9.293 2.189 1.00 0.00 N ATOM 0 H ASN A 109 -2.592 -12.006 3.077 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.961 -13.174 2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.246 -12.491 2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.022 -11.498 1.416 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.346 -8.414 2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.137 -9.314 1.488 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.736 -12.791 5.735 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.255 -13.224 7.017 1.00 0.00 C ATOM 1731 C GLY A 110 0.426 -12.087 7.717 1.00 0.00 C ATOM 1732 O GLY A 110 1.240 -12.309 8.613 1.00 0.00 O ATOM 0 H GLY A 110 -1.716 -12.508 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.085 -13.590 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.440 -14.055 6.893 1.00 0.00 H new ATOM 1736 N LEU A 111 0.092 -10.844 7.318 1.00 0.00 N ATOM 1737 CA LEU A 111 0.676 -9.661 7.877 1.00 0.00 C ATOM 1738 C LEU A 111 -0.509 -8.783 8.169 1.00 0.00 C ATOM 1739 O LEU A 111 -1.324 -8.645 7.262 1.00 0.00 O ATOM 1740 CB LEU A 111 1.538 -8.981 6.798 1.00 0.00 C ATOM 1741 CG LEU A 111 2.491 -7.856 7.214 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.480 -8.195 8.330 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.272 -7.370 5.987 1.00 0.00 C ATOM 0 H LEU A 111 -0.599 -10.657 6.591 1.00 0.00 H new ATOM 0 HA LEU A 111 1.296 -9.856 8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.133 -9.756 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.864 -8.579 6.042 1.00 0.00 H new ATOM 0 HG LEU A 111 1.845 -7.082 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.103 -7.326 8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.932 -8.475 9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.112 -9.026 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.951 -6.569 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.846 -8.197 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.575 -6.997 5.236 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.707 -8.189 9.332 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.898 -7.416 9.575 1.00 0.00 C ATOM 1757 C PRO A 112 -1.696 -6.073 8.953 1.00 0.00 C ATOM 1758 O PRO A 112 -0.906 -5.297 9.474 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.025 -7.315 11.090 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.703 -7.815 11.674 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.078 -8.643 10.553 1.00 0.00 C ATOM 0 HA PRO A 112 -2.802 -7.857 9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.219 -6.287 11.395 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.860 -7.917 11.450 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.057 -6.985 11.962 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.866 -8.417 12.568 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.002 -8.498 10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.251 -9.708 10.710 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.414 -5.782 7.848 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.184 -4.608 7.055 1.00 0.00 C ATOM 1771 C VAL A 113 -3.161 -3.525 7.388 1.00 0.00 C ATOM 1772 O VAL A 113 -2.994 -2.393 6.939 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.290 -4.870 5.567 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.061 -5.697 5.137 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.624 -5.565 5.217 1.00 0.00 C ATOM 0 H VAL A 113 -3.168 -6.373 7.499 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.166 -4.300 7.294 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.293 -3.930 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.115 -5.899 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.151 -5.138 5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.047 -6.640 5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.672 -5.740 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.687 -6.517 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.456 -4.928 5.518 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.229 -3.857 8.142 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.306 -2.930 8.351 1.00 0.00 C ATOM 1787 C HIS A 114 -5.753 -3.154 9.755 1.00 0.00 C ATOM 1788 O HIS A 114 -5.224 -4.026 10.439 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.435 -3.185 7.321 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.785 -2.562 7.577 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -8.027 -1.232 7.364 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -8.946 -3.112 8.019 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.294 -0.983 7.666 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -9.874 -2.106 8.066 1.00 0.00 N ATOM 0 H HIS A 114 -4.348 -4.759 8.604 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.005 -1.892 8.209 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.085 -2.835 6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.575 -4.263 7.240 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.107 -4.147 8.283 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.776 -0.019 7.597 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.846 -2.204 8.359 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.723 -2.340 10.217 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.298 -2.432 11.524 1.00 0.00 C ATOM 1805 C LEU A 115 -8.527 -1.618 11.410 1.00 0.00 C ATOM 1806 O LEU A 115 -8.509 -0.493 10.911 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.345 -1.891 12.607 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.805 -1.527 14.045 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -7.029 -0.015 14.124 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.791 -2.493 14.727 1.00 0.00 C ATOM 0 H LEU A 115 -7.122 -1.587 9.656 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.499 -3.459 11.830 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.552 -2.631 12.716 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.888 -0.992 12.193 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.001 -1.734 14.752 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.353 0.253 15.130 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.099 0.503 13.892 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.796 0.277 13.406 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.031 -2.124 15.724 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.704 -2.559 14.135 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.337 -3.481 14.805 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.626 -2.224 11.881 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.911 -1.605 11.925 1.00 0.00 C ATOM 1824 C ASP A 116 -10.921 -0.613 13.043 1.00 0.00 C ATOM 1825 O ASP A 116 -10.656 -0.942 14.198 1.00 0.00 O ATOM 1826 CB ASP A 116 -12.048 -2.607 12.178 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.114 -3.580 11.008 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.236 -4.480 10.922 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.057 -3.439 10.185 1.00 0.00 O ATOM 0 H ASP A 116 -9.621 -3.177 12.244 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.080 -1.140 10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.875 -3.147 13.109 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.997 -2.082 12.286 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.271 0.645 12.700 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.384 1.735 13.631 1.00 0.00 C ATOM 1836 C GLN A 117 -12.811 1.844 14.083 1.00 0.00 C ATOM 1837 O GLN A 117 -13.185 2.831 14.712 1.00 0.00 O ATOM 1838 CB GLN A 117 -10.994 3.081 12.977 1.00 0.00 C ATOM 1839 CG GLN A 117 -9.487 3.373 13.013 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.045 3.504 14.471 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.100 2.840 14.909 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.768 4.369 15.242 1.00 0.00 N ATOM 0 H GLN A 117 -11.483 0.914 11.739 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.712 1.534 14.465 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -11.330 3.082 11.940 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.523 3.888 13.484 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.935 2.571 12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.267 4.291 12.468 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.540 4.895 14.832 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.536 4.489 16.228 1.00 0.00 H new ATOM 1851 N SER A 118 -13.643 0.817 13.791 1.00 0.00 N ATOM 1852 CA SER A 118 -15.020 0.775 14.187 1.00 0.00 C ATOM 1853 C SER A 118 -15.149 0.071 15.503 1.00 0.00 C ATOM 1854 O SER A 118 -16.237 0.039 16.076 1.00 0.00 O ATOM 1855 CB SER A 118 -15.907 0.026 13.181 1.00 0.00 C ATOM 1856 OG SER A 118 -15.494 -1.329 13.078 1.00 0.00 O ATOM 0 H SER A 118 -13.346 -0.005 13.265 1.00 0.00 H new ATOM 0 HA SER A 118 -15.352 1.812 14.246 1.00 0.00 H new ATOM 0 HB2 SER A 118 -16.949 0.073 13.498 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.849 0.507 12.205 1.00 0.00 H new ATOM 0 HG SER A 118 -16.067 -1.798 12.436 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.035 -0.506 16.017 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.020 -1.150 17.304 1.00 0.00 C ATOM 1864 C ILE A 119 -13.700 -0.090 18.300 1.00 0.00 C ATOM 1865 O ILE A 119 -14.023 -0.203 19.480 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.040 -2.315 17.425 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.570 -1.937 17.714 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.083 -3.064 16.091 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -10.604 -3.126 17.640 1.00 0.00 C ATOM 0 H ILE A 119 -13.137 -0.525 15.534 1.00 0.00 H new ATOM 0 HA ILE A 119 -14.995 -1.607 17.473 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.358 -2.900 18.288 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.252 -1.177 17.001 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.507 -1.490 18.706 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.396 -3.910 16.126 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.095 -3.425 15.909 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -12.788 -2.391 15.286 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.591 -2.786 17.854 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -10.896 -3.878 18.373 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -10.637 -3.560 16.641 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.016 0.962 17.811 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.447 1.987 18.618 1.00 0.00 C ATOM 1883 C PHE A 120 -13.346 3.166 18.592 1.00 0.00 C ATOM 1884 O PHE A 120 -13.288 4.024 19.472 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.078 2.396 18.065 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.101 1.310 18.377 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -9.892 1.006 19.708 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.378 0.622 17.409 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -8.994 0.034 20.086 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.411 -0.278 17.801 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.229 -0.593 19.129 1.00 0.00 C ATOM 0 H PHE A 120 -12.856 1.099 16.813 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.326 1.619 19.637 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.136 2.556 16.988 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.755 3.337 18.510 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.444 1.541 20.467 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.572 0.791 16.360 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.890 -0.235 21.127 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.785 -0.744 17.054 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.491 -1.327 19.418 1.00 0.00 H new