USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 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= -3.55 X(o=-4.9,f=-4.4!) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.329 K(o=-4.9,f=-5.9) USER MOD Set 1.3: A 44 THR OG1 : rot 161:sc= 0.857 USER MOD Set 1.4: A 80 THR OG1 : rot 170:sc= 0 USER MOD Set 1.5: A 117 GLN : amide:sc= -1.9! X(o=-4.9!,f=-4.4) USER MOD Set 2.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 82 LYS NZ :NH3+ 152:sc= 0.0482 (180deg=-0.151) USER MOD Set 3.2: A 84 HIS : no HE2:sc= -0.619 K(o=-0.57,f=-2.4) USER MOD Set 3.3: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 25 TYR OH : rot 29:sc= 0.382 USER MOD Set 4.2: A 47 HIS : no HE2:sc= -2.45 K(o=-1.1,f=-8.4!) USER MOD Set 4.3: A 79 THR OG1 : rot 79:sc= 0.953 USER MOD Set 5.1: A 61 ASN : amide:sc= -0.325 K(o=0.0069,f=-2!) USER MOD Set 5.2: A 74 SER OG : rot 61:sc= 0.332 USER MOD Set 6.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 54 LYS NZ :NH3+ -139:sc= 0.426 (180deg=0.0196) USER MOD Single : A 3 ASN : amide:sc=-0.00291 X(o=-0.0029,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.105 F(o=-0.81,f=-0.1) USER MOD Single : A 11 THR OG1 : rot 59:sc= 1.04 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot -14:sc= 0.35 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 28 SER OG : rot 84:sc= 0.448 USER MOD Single : A 30 MET CE :methyl 154:sc= -0.856 (180deg=-3.16!) USER MOD Single : A 36 THR OG1 : rot 33:sc= 1.25 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0.222 (180deg=-0.199) USER MOD Single : A 49 ASN : amide:sc= -0.0322 X(o=-0.032,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.18) USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0881) USER MOD Single : A 63 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.092) USER MOD Single : A 65 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=-0.0026) USER MOD Single : A 68 ASN : amide:sc= -0.0775 X(o=-0.077,f=-0.12) USER MOD Single : A 72 SER OG : rot 179:sc= 0.101 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 108:sc= 0.228 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot -8:sc= 0.0376 USER MOD Single : A 102 ASN : amide:sc= -0.857 X(o=-0.86,f=-0.76) USER MOD Single : A 109 ASN : amide:sc= -0.0792 X(o=-0.079,f=-0.2) USER MOD Single : A 114 HIS : no HD1:sc= -2.03 X(o=-2,f=-1.8) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.622 -4.827 2.661 1.00 0.00 N ATOM 33 CA ASN A 3 5.575 -4.783 3.751 1.00 0.00 C ATOM 34 C ASN A 3 5.688 -3.369 4.203 1.00 0.00 C ATOM 35 O ASN A 3 6.023 -3.106 5.355 1.00 0.00 O ATOM 36 CB ASN A 3 6.974 -5.448 3.618 1.00 0.00 C ATOM 37 CG ASN A 3 8.078 -4.476 3.188 1.00 0.00 C ATOM 38 OD1 ASN A 3 8.123 -3.946 2.072 1.00 0.00 O ATOM 39 ND2 ASN A 3 9.034 -4.270 4.145 1.00 0.00 N ATOM 0 HA ASN A 3 5.138 -5.459 4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.247 -5.894 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.914 -6.260 2.893 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.826 -3.657 3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.955 -4.729 5.052 1.00 0.00 H new ATOM 46 N SER A 4 5.402 -2.426 3.283 1.00 0.00 N ATOM 47 CA SER A 4 5.311 -1.031 3.607 1.00 0.00 C ATOM 48 C SER A 4 3.888 -0.710 3.935 1.00 0.00 C ATOM 49 O SER A 4 3.607 0.355 4.480 1.00 0.00 O ATOM 50 CB SER A 4 5.775 -0.111 2.472 1.00 0.00 C ATOM 51 OG SER A 4 7.132 -0.383 2.155 1.00 0.00 O ATOM 0 H SER A 4 5.231 -2.634 2.299 1.00 0.00 H new ATOM 0 HA SER A 4 5.975 -0.853 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.150 -0.261 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.664 0.932 2.769 1.00 0.00 H new ATOM 0 HG SER A 4 7.423 0.206 1.428 1.00 0.00 H new ATOM 57 N ARG A 5 2.956 -1.632 3.601 1.00 0.00 N ATOM 58 CA ARG A 5 1.559 -1.479 3.899 1.00 0.00 C ATOM 59 C ARG A 5 1.385 -1.640 5.377 1.00 0.00 C ATOM 60 O ARG A 5 0.662 -0.863 6.003 1.00 0.00 O ATOM 61 CB ARG A 5 0.681 -2.537 3.206 1.00 0.00 C ATOM 62 CG ARG A 5 -0.583 -1.993 2.518 1.00 0.00 C ATOM 63 CD ARG A 5 -1.551 -1.253 3.445 1.00 0.00 C ATOM 64 NE ARG A 5 -2.849 -1.106 2.729 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.915 -0.505 3.336 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.791 0.019 4.590 1.00 0.00 N ATOM 67 NH2 ARG A 5 -5.113 -0.432 2.685 1.00 0.00 N ATOM 0 H ARG A 5 3.179 -2.500 3.114 1.00 0.00 H new ATOM 0 HA ARG A 5 1.248 -0.498 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.285 -3.056 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.381 -3.278 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.282 -1.318 1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.112 -2.824 2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.688 -1.807 4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.150 -0.275 3.713 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.943 -1.458 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.898 -0.037 5.080 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.591 0.466 5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.210 -0.825 1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.911 0.016 3.135 1.00 0.00 H new ATOM 81 N TYR A 6 2.067 -2.658 5.956 1.00 0.00 N ATOM 82 CA TYR A 6 2.191 -2.906 7.327 1.00 0.00 C ATOM 83 C TYR A 6 2.762 -1.767 8.082 1.00 0.00 C ATOM 84 O TYR A 6 2.175 -1.395 9.089 1.00 0.00 O ATOM 85 CB TYR A 6 3.191 -4.031 7.362 1.00 0.00 C ATOM 86 CG TYR A 6 3.536 -4.384 8.731 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.552 -4.780 9.584 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.847 -4.437 9.107 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.864 -5.359 10.780 1.00 0.00 C ATOM 90 CE2 TYR A 6 5.169 -4.874 10.370 1.00 0.00 C ATOM 91 CZ TYR A 6 4.177 -5.363 11.207 1.00 0.00 C ATOM 92 OH TYR A 6 4.495 -5.869 12.479 1.00 0.00 O ATOM 0 H TYR A 6 2.564 -3.351 5.396 1.00 0.00 H new ATOM 0 HA TYR A 6 1.220 -3.107 7.779 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.781 -4.902 6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.091 -3.739 6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.517 -4.635 9.312 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.624 -4.138 8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.092 -5.809 11.386 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.193 -4.837 10.710 1.00 0.00 H new ATOM 0 HH TYR A 6 5.462 -5.801 12.626 1.00 0.00 H new ATOM 102 N THR A 7 3.922 -1.216 7.662 1.00 0.00 N ATOM 103 CA THR A 7 4.502 -0.141 8.392 1.00 0.00 C ATOM 104 C THR A 7 3.966 1.232 8.129 1.00 0.00 C ATOM 105 O THR A 7 4.381 2.156 8.820 1.00 0.00 O ATOM 106 CB THR A 7 5.993 -0.089 8.393 1.00 0.00 C ATOM 107 OG1 THR A 7 6.481 0.618 7.261 1.00 0.00 O ATOM 108 CG2 THR A 7 6.605 -1.493 8.448 1.00 0.00 C ATOM 0 H THR A 7 4.442 -1.511 6.836 1.00 0.00 H new ATOM 0 HA THR A 7 4.163 -0.425 9.388 1.00 0.00 H new ATOM 0 HB THR A 7 6.296 0.447 9.293 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.460 0.639 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.692 -1.416 8.447 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.277 -1.997 9.357 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.281 -2.065 7.579 1.00 0.00 H new ATOM 116 N HIS A 8 3.019 1.421 7.184 1.00 0.00 N ATOM 117 CA HIS A 8 2.302 2.670 7.108 1.00 0.00 C ATOM 118 C HIS A 8 1.140 2.602 8.053 1.00 0.00 C ATOM 119 O HIS A 8 0.746 3.607 8.654 1.00 0.00 O ATOM 120 CB HIS A 8 1.820 3.024 5.697 1.00 0.00 C ATOM 121 CG HIS A 8 2.979 3.364 4.804 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.302 3.087 4.929 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 2.823 4.067 3.643 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 4.929 3.628 3.840 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 4.014 4.216 3.081 1.00 0.00 N flip ATOM 0 H HIS A 8 2.752 0.727 6.485 1.00 0.00 H new ATOM 0 HA HIS A 8 2.994 3.465 7.386 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.266 2.185 5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.132 3.868 5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.888 4.438 3.250 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.988 3.584 3.634 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.198 4.705 2.205 1.00 0.00 H new ATOM 134 N PHE A 9 0.609 1.373 8.231 1.00 0.00 N ATOM 135 CA PHE A 9 -0.325 1.034 9.271 1.00 0.00 C ATOM 136 C PHE A 9 0.354 1.168 10.622 1.00 0.00 C ATOM 137 O PHE A 9 -0.285 1.620 11.565 1.00 0.00 O ATOM 138 CB PHE A 9 -0.946 -0.361 9.027 1.00 0.00 C ATOM 139 CG PHE A 9 -1.530 -0.988 10.246 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.650 -0.469 10.877 1.00 0.00 C ATOM 141 CD2 PHE A 9 -0.989 -2.179 10.695 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.149 -1.078 12.010 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.560 -2.840 11.764 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.612 -2.266 12.445 1.00 0.00 C ATOM 0 H PHE A 9 0.839 0.584 7.627 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.163 1.731 9.260 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.724 -0.273 8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.180 -1.022 8.623 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.132 0.413 10.481 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.118 -2.593 10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.962 -0.621 12.555 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.183 -3.806 12.066 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.015 -2.751 13.322 1.00 0.00 H new ATOM 154 N LEU A 10 1.658 0.812 10.749 1.00 0.00 N ATOM 155 CA LEU A 10 2.443 1.079 11.937 1.00 0.00 C ATOM 156 C LEU A 10 2.743 2.538 12.152 1.00 0.00 C ATOM 157 O LEU A 10 2.911 2.935 13.303 1.00 0.00 O ATOM 158 CB LEU A 10 3.883 0.535 11.989 1.00 0.00 C ATOM 159 CG LEU A 10 4.158 -0.980 12.022 1.00 0.00 C ATOM 160 CD1 LEU A 10 5.554 -1.142 12.612 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.230 -1.863 12.850 1.00 0.00 C ATOM 0 H LEU A 10 2.178 0.330 10.015 1.00 0.00 H new ATOM 0 HA LEU A 10 1.781 0.596 12.656 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.407 0.936 11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.355 0.964 12.873 1.00 0.00 H new ATOM 0 HG LEU A 10 4.012 -1.317 10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.807 -2.201 12.661 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.278 -0.625 11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.577 -0.716 13.615 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.552 -2.902 12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.264 -1.549 13.893 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.210 -1.771 12.476 1.00 0.00 H new ATOM 173 N THR A 11 2.880 3.359 11.077 1.00 0.00 N ATOM 174 CA THR A 11 3.205 4.763 11.214 1.00 0.00 C ATOM 175 C THR A 11 2.081 5.454 11.903 1.00 0.00 C ATOM 176 O THR A 11 2.308 6.244 12.816 1.00 0.00 O ATOM 177 CB THR A 11 3.519 5.479 9.913 1.00 0.00 C ATOM 178 OG1 THR A 11 4.678 4.909 9.331 1.00 0.00 O ATOM 179 CG2 THR A 11 3.801 6.981 10.128 1.00 0.00 C ATOM 0 H THR A 11 2.765 3.050 10.112 1.00 0.00 H new ATOM 0 HA THR A 11 4.126 4.803 11.796 1.00 0.00 H new ATOM 0 HB THR A 11 2.646 5.370 9.269 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.529 3.953 9.174 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.021 7.451 9.169 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.926 7.455 10.573 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.656 7.099 10.794 1.00 0.00 H new ATOM 187 N GLN A 12 0.846 5.139 11.485 1.00 0.00 N ATOM 188 CA GLN A 12 -0.305 5.649 12.168 1.00 0.00 C ATOM 189 C GLN A 12 -0.469 5.036 13.515 1.00 0.00 C ATOM 190 O GLN A 12 -0.586 5.766 14.492 1.00 0.00 O ATOM 191 CB GLN A 12 -1.616 5.396 11.410 1.00 0.00 C ATOM 192 CG GLN A 12 -1.696 6.111 10.065 1.00 0.00 C ATOM 193 CD GLN A 12 -3.124 5.956 9.552 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.535 4.877 9.107 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.894 7.085 9.634 1.00 0.00 N ATOM 0 H GLN A 12 0.641 4.540 10.685 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.121 6.721 12.244 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.731 4.324 11.249 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.452 5.716 12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.439 7.165 10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.985 5.681 9.359 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.498 7.946 10.011 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.864 7.065 9.318 1.00 0.00 H new ATOM 204 N HIS A 13 -0.526 3.699 13.601 1.00 0.00 N ATOM 205 CA HIS A 13 -1.039 3.068 14.767 1.00 0.00 C ATOM 206 C HIS A 13 0.034 2.651 15.724 1.00 0.00 C ATOM 207 O HIS A 13 -0.089 2.948 16.906 1.00 0.00 O ATOM 208 CB HIS A 13 -1.922 1.879 14.377 1.00 0.00 C ATOM 209 CG HIS A 13 -3.067 2.344 13.518 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.228 2.815 14.063 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.147 2.556 12.182 1.00 0.00 C ATOM 212 CE1 HIS A 13 -4.989 3.294 13.092 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.355 3.150 11.938 1.00 0.00 N ATOM 0 H HIS A 13 -0.219 3.060 12.868 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.644 3.806 15.293 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.331 1.138 13.838 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.305 1.391 15.273 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.468 2.800 15.054 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.397 2.303 11.447 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.968 3.731 13.220 1.00 0.00 H new ATOM 222 N TYR A 14 1.099 1.951 15.282 1.00 0.00 N ATOM 223 CA TYR A 14 2.037 1.366 16.205 1.00 0.00 C ATOM 224 C TYR A 14 2.888 2.393 16.892 1.00 0.00 C ATOM 225 O TYR A 14 3.694 3.083 16.269 1.00 0.00 O ATOM 226 CB TYR A 14 2.942 0.336 15.550 1.00 0.00 C ATOM 227 CG TYR A 14 3.724 -0.426 16.563 1.00 0.00 C ATOM 228 CD1 TYR A 14 3.126 -1.156 17.577 1.00 0.00 C ATOM 229 CD2 TYR A 14 5.093 -0.479 16.425 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.896 -1.878 18.465 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.857 -1.243 17.273 1.00 0.00 C ATOM 232 CZ TYR A 14 5.267 -1.911 18.324 1.00 0.00 C ATOM 233 OH TYR A 14 6.054 -2.644 19.234 1.00 0.00 O ATOM 0 H TYR A 14 1.312 1.789 14.298 1.00 0.00 H new ATOM 0 HA TYR A 14 1.417 0.866 16.949 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.341 -0.354 14.958 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.624 0.835 14.862 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.050 -1.160 17.673 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.572 0.087 15.640 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.424 -2.418 19.272 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.923 -1.320 17.116 1.00 0.00 H new ATOM 0 HH TYR A 14 5.515 -2.878 20.018 1.00 0.00 H new ATOM 243 N ASP A 15 2.705 2.485 18.224 1.00 0.00 N ATOM 244 CA ASP A 15 3.508 3.305 19.070 1.00 0.00 C ATOM 245 C ASP A 15 3.692 2.405 20.236 1.00 0.00 C ATOM 246 O ASP A 15 2.802 2.300 21.073 1.00 0.00 O ATOM 247 CB ASP A 15 2.830 4.610 19.532 1.00 0.00 C ATOM 248 CG ASP A 15 3.733 5.262 20.572 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.910 5.564 20.236 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.254 5.473 21.717 1.00 0.00 O ATOM 0 H ASP A 15 1.977 1.973 18.723 1.00 0.00 H new ATOM 0 HA ASP A 15 4.411 3.649 18.565 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.676 5.280 18.686 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.848 4.401 19.956 1.00 0.00 H new ATOM 255 N ALA A 16 4.855 1.719 20.263 1.00 0.00 N ATOM 256 CA ALA A 16 5.206 0.613 21.128 1.00 0.00 C ATOM 257 C ALA A 16 4.883 0.757 22.582 1.00 0.00 C ATOM 258 O ALA A 16 4.419 -0.196 23.205 1.00 0.00 O ATOM 259 CB ALA A 16 6.689 0.236 21.020 1.00 0.00 C ATOM 0 H ALA A 16 5.617 1.955 19.627 1.00 0.00 H new ATOM 0 HA ALA A 16 4.557 -0.172 20.740 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.902 -0.599 21.688 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.917 -0.053 19.994 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.303 1.091 21.301 1.00 0.00 H new ATOM 265 N LYS A 17 5.100 1.952 23.153 1.00 0.00 N ATOM 266 CA LYS A 17 4.521 2.264 24.428 1.00 0.00 C ATOM 267 C LYS A 17 4.471 3.772 24.516 1.00 0.00 C ATOM 268 O LYS A 17 5.389 4.431 24.029 1.00 0.00 O ATOM 269 CB LYS A 17 5.299 1.718 25.653 1.00 0.00 C ATOM 270 CG LYS A 17 6.795 2.070 25.708 1.00 0.00 C ATOM 271 CD LYS A 17 7.497 1.438 26.917 1.00 0.00 C ATOM 272 CE LYS A 17 8.984 1.793 26.991 1.00 0.00 C ATOM 273 NZ LYS A 17 9.600 1.164 28.179 1.00 0.00 N ATOM 0 H LYS A 17 5.666 2.695 22.744 1.00 0.00 H new ATOM 0 HA LYS A 17 3.543 1.784 24.473 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.823 2.094 26.559 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.200 0.633 25.668 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.279 1.732 24.792 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.910 3.153 25.749 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.003 1.768 27.831 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.389 0.354 26.869 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.491 1.455 26.087 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.105 2.875 27.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.609 1.412 28.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.125 1.506 29.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.499 0.131 28.116 1.00 0.00 H new ATOM 287 N PRO A 18 3.445 4.348 25.127 1.00 0.00 N ATOM 288 CA PRO A 18 3.317 5.775 25.243 1.00 0.00 C ATOM 289 C PRO A 18 4.213 6.357 26.290 1.00 0.00 C ATOM 290 O PRO A 18 4.902 5.632 27.009 1.00 0.00 O ATOM 291 CB PRO A 18 1.896 5.974 25.750 1.00 0.00 C ATOM 292 CG PRO A 18 1.110 4.832 25.138 1.00 0.00 C ATOM 293 CD PRO A 18 2.145 3.724 25.023 1.00 0.00 C ATOM 0 HA PRO A 18 3.562 6.247 24.292 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.856 5.945 26.839 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.497 6.940 25.442 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.271 4.536 25.768 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.698 5.102 24.165 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.008 2.985 25.812 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.044 3.199 24.073 1.00 0.00 H new ATOM 301 N GLN A 19 4.141 7.701 26.400 1.00 0.00 N ATOM 302 CA GLN A 19 4.710 8.459 27.468 1.00 0.00 C ATOM 303 C GLN A 19 3.830 8.243 28.659 1.00 0.00 C ATOM 304 O GLN A 19 4.167 7.489 29.571 1.00 0.00 O ATOM 305 CB GLN A 19 4.761 9.961 27.117 1.00 0.00 C ATOM 306 CG GLN A 19 5.674 10.287 25.924 1.00 0.00 C ATOM 307 CD GLN A 19 7.107 9.854 26.236 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.634 8.919 25.621 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.741 10.566 27.215 1.00 0.00 N ATOM 0 H GLN A 19 3.663 8.281 25.710 1.00 0.00 H new ATOM 0 HA GLN A 19 5.734 8.139 27.661 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.752 10.308 26.896 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.105 10.517 27.989 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.316 9.776 25.030 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.645 11.356 25.713 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.255 11.328 27.688 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.701 10.336 27.473 1.00 0.00 H new ATOM 318 N GLY A 20 2.657 8.897 28.637 1.00 0.00 N ATOM 319 CA GLY A 20 1.555 8.565 29.492 1.00 0.00 C ATOM 320 C GLY A 20 0.465 8.314 28.528 1.00 0.00 C ATOM 321 O GLY A 20 0.685 8.366 27.324 1.00 0.00 O ATOM 0 H GLY A 20 2.466 9.678 28.009 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.766 7.687 30.103 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.313 9.379 30.176 1.00 0.00 H new ATOM 325 N ARG A 21 -0.744 8.045 29.041 1.00 0.00 N ATOM 326 CA ARG A 21 -1.883 7.817 28.193 1.00 0.00 C ATOM 327 C ARG A 21 -2.868 8.887 28.511 1.00 0.00 C ATOM 328 O ARG A 21 -3.894 8.646 29.146 1.00 0.00 O ATOM 329 CB ARG A 21 -2.513 6.419 28.345 1.00 0.00 C ATOM 330 CG ARG A 21 -1.615 5.330 27.737 1.00 0.00 C ATOM 331 CD ARG A 21 -2.272 3.951 27.621 1.00 0.00 C ATOM 332 NE ARG A 21 -2.245 3.311 28.965 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.165 2.373 29.337 1.00 0.00 C ATOM 334 NH1 ARG A 21 -4.148 1.983 28.478 1.00 0.00 N ATOM 335 NH2 ARG A 21 -3.092 1.811 30.579 1.00 0.00 N ATOM 0 H ARG A 21 -0.940 7.984 30.040 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.562 7.852 27.152 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.681 6.207 29.401 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.488 6.403 27.858 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.298 5.651 26.745 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.715 5.239 28.345 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.298 4.047 27.266 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.740 3.336 26.896 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.518 3.581 29.627 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.202 2.393 27.545 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.829 1.281 28.767 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.353 2.092 31.223 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.776 1.110 30.863 1.00 0.00 H new ATOM 349 N ASP A 22 -2.542 10.117 28.062 1.00 0.00 N ATOM 350 CA ASP A 22 -3.337 11.275 28.340 1.00 0.00 C ATOM 351 C ASP A 22 -3.267 12.159 27.141 1.00 0.00 C ATOM 352 O ASP A 22 -2.591 11.836 26.165 1.00 0.00 O ATOM 353 CB ASP A 22 -2.896 12.054 29.598 1.00 0.00 C ATOM 354 CG ASP A 22 -1.495 12.645 29.447 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.512 11.869 29.306 1.00 0.00 O ATOM 356 OD2 ASP A 22 -1.392 13.900 29.500 1.00 0.00 O ATOM 0 H ASP A 22 -1.714 10.309 27.498 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.354 10.944 28.550 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.608 12.856 29.795 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.917 11.389 30.461 1.00 0.00 H new ATOM 361 N ASP A 23 -3.999 13.294 27.194 1.00 0.00 N ATOM 362 CA ASP A 23 -4.253 14.159 26.071 1.00 0.00 C ATOM 363 C ASP A 23 -3.040 14.904 25.601 1.00 0.00 C ATOM 364 O ASP A 23 -2.996 15.330 24.448 1.00 0.00 O ATOM 365 CB ASP A 23 -5.369 15.194 26.340 1.00 0.00 C ATOM 366 CG ASP A 23 -4.986 16.163 27.458 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.881 15.723 28.634 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.814 17.372 27.145 1.00 0.00 O ATOM 0 H ASP A 23 -4.433 13.624 28.056 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.574 13.469 25.291 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.573 15.754 25.427 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.289 14.675 26.608 1.00 0.00 H new ATOM 373 N ARG A 24 -2.026 15.072 26.478 1.00 0.00 N ATOM 374 CA ARG A 24 -0.805 15.738 26.131 1.00 0.00 C ATOM 375 C ARG A 24 0.079 14.798 25.380 1.00 0.00 C ATOM 376 O ARG A 24 0.861 15.235 24.535 1.00 0.00 O ATOM 377 CB ARG A 24 -0.014 16.235 27.351 1.00 0.00 C ATOM 378 CG ARG A 24 -0.817 17.208 28.224 1.00 0.00 C ATOM 379 CD ARG A 24 -0.021 17.709 29.429 1.00 0.00 C ATOM 380 NE ARG A 24 -0.904 18.623 30.207 1.00 0.00 N ATOM 381 CZ ARG A 24 -0.453 19.223 31.348 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.819 18.995 31.790 1.00 0.00 N ATOM 383 NH2 ARG A 24 -1.277 20.055 32.050 1.00 0.00 N ATOM 0 H ARG A 24 -2.056 14.740 27.442 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.091 16.603 25.533 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.290 15.380 27.954 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.898 16.726 27.012 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.129 18.060 27.620 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.724 16.714 28.572 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.303 16.872 30.048 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.878 18.232 29.103 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.855 18.802 29.884 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.437 18.374 31.267 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.151 19.446 32.643 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.227 20.227 31.722 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.942 20.504 32.902 1.00 0.00 H new ATOM 397 N TYR A 25 -0.049 13.479 25.670 1.00 0.00 N ATOM 398 CA TYR A 25 0.702 12.464 24.988 1.00 0.00 C ATOM 399 C TYR A 25 0.156 12.369 23.611 1.00 0.00 C ATOM 400 O TYR A 25 0.936 12.238 22.671 1.00 0.00 O ATOM 401 CB TYR A 25 0.657 11.065 25.660 1.00 0.00 C ATOM 402 CG TYR A 25 0.665 9.923 24.671 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.819 9.522 24.009 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.510 9.221 24.438 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.773 8.502 23.077 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.554 8.200 23.512 1.00 0.00 C ATOM 407 CZ TYR A 25 0.584 7.848 22.821 1.00 0.00 C ATOM 408 OH TYR A 25 0.527 6.817 21.862 1.00 0.00 O ATOM 0 H TYR A 25 -0.681 13.118 26.385 1.00 0.00 H new ATOM 0 HA TYR A 25 1.751 12.758 25.010 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.512 10.963 26.328 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.239 10.995 26.277 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.758 10.010 24.224 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.402 9.478 24.990 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.670 8.216 22.547 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.481 7.677 23.329 1.00 0.00 H new ATOM 0 HH TYR A 25 1.399 6.374 21.806 1.00 0.00 H new ATOM 418 N CYS A 26 -1.190 12.419 23.462 1.00 0.00 N ATOM 419 CA CYS A 26 -1.751 12.128 22.184 1.00 0.00 C ATOM 420 C CYS A 26 -1.672 13.274 21.232 1.00 0.00 C ATOM 421 O CYS A 26 -1.599 13.067 20.024 1.00 0.00 O ATOM 422 CB CYS A 26 -3.131 11.495 22.156 1.00 0.00 C ATOM 423 SG CYS A 26 -3.082 10.390 20.725 1.00 0.00 S ATOM 0 H CYS A 26 -1.858 12.651 24.197 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.089 11.333 21.841 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.337 10.947 23.076 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.913 12.248 22.052 1.00 0.00 H new ATOM 428 N GLU A 27 -1.641 14.513 21.760 1.00 0.00 N ATOM 429 CA GLU A 27 -1.406 15.665 20.938 1.00 0.00 C ATOM 430 C GLU A 27 0.025 15.701 20.490 1.00 0.00 C ATOM 431 O GLU A 27 0.284 16.111 19.359 1.00 0.00 O ATOM 432 CB GLU A 27 -1.758 16.998 21.617 1.00 0.00 C ATOM 433 CG GLU A 27 -3.276 17.200 21.708 1.00 0.00 C ATOM 434 CD GLU A 27 -3.568 18.465 22.501 1.00 0.00 C ATOM 435 OE1 GLU A 27 -3.145 19.561 22.048 1.00 0.00 O ATOM 436 OE2 GLU A 27 -4.225 18.349 23.569 1.00 0.00 O ATOM 0 H GLU A 27 -1.778 14.718 22.750 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.075 15.560 20.084 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.326 17.023 22.617 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.313 17.821 21.057 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.705 17.276 20.709 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.741 16.340 22.190 1.00 0.00 H new ATOM 443 N SER A 28 0.980 15.260 21.348 1.00 0.00 N ATOM 444 CA SER A 28 2.365 15.206 20.984 1.00 0.00 C ATOM 445 C SER A 28 2.686 14.191 19.930 1.00 0.00 C ATOM 446 O SER A 28 3.515 14.470 19.070 1.00 0.00 O ATOM 447 CB SER A 28 3.283 14.921 22.178 1.00 0.00 C ATOM 448 OG SER A 28 3.306 16.034 23.058 1.00 0.00 O ATOM 0 H SER A 28 0.785 14.941 22.297 1.00 0.00 H new ATOM 0 HA SER A 28 2.550 16.204 20.586 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.935 14.035 22.710 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.292 14.706 21.826 1.00 0.00 H new ATOM 0 HG SER A 28 2.536 15.989 23.663 1.00 0.00 H new ATOM 454 N ILE A 29 2.054 12.999 19.969 1.00 0.00 N ATOM 455 CA ILE A 29 2.374 11.934 19.045 1.00 0.00 C ATOM 456 C ILE A 29 1.715 12.166 17.727 1.00 0.00 C ATOM 457 O ILE A 29 2.259 11.790 16.692 1.00 0.00 O ATOM 458 CB ILE A 29 2.122 10.518 19.551 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.593 9.440 18.562 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.646 10.273 19.885 1.00 0.00 C ATOM 461 CD1 ILE A 29 3.118 8.209 19.278 1.00 0.00 C ATOM 0 H ILE A 29 1.320 12.767 20.639 1.00 0.00 H new ATOM 0 HA ILE A 29 3.457 11.982 18.931 1.00 0.00 H new ATOM 0 HB ILE A 29 2.713 10.437 20.463 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.765 9.157 17.912 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.375 9.850 17.923 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.518 9.251 20.241 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.328 10.970 20.661 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.041 10.424 18.991 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.441 7.471 18.544 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.963 8.487 19.908 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.328 7.783 19.897 1.00 0.00 H new ATOM 473 N MET A 30 0.538 12.816 17.727 1.00 0.00 N ATOM 474 CA MET A 30 -0.157 13.104 16.510 1.00 0.00 C ATOM 475 C MET A 30 0.504 14.218 15.767 1.00 0.00 C ATOM 476 O MET A 30 0.439 14.259 14.541 1.00 0.00 O ATOM 477 CB MET A 30 -1.586 13.543 16.792 1.00 0.00 C ATOM 478 CG MET A 30 -2.513 12.358 17.104 1.00 0.00 C ATOM 479 SD MET A 30 -3.345 11.694 15.639 1.00 0.00 S ATOM 480 CE MET A 30 -4.738 10.951 16.533 1.00 0.00 C ATOM 0 H MET A 30 0.067 13.143 18.570 1.00 0.00 H new ATOM 0 HA MET A 30 -0.145 12.189 15.918 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.591 14.236 17.634 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.973 14.086 15.930 1.00 0.00 H new ATOM 0 HG2 MET A 30 -1.932 11.565 17.574 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.264 12.674 17.828 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.601 10.885 15.871 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.462 9.952 16.871 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.988 11.569 17.395 1.00 0.00 H new ATOM 490 N ARG A 31 1.147 15.146 16.503 1.00 0.00 N ATOM 491 CA ARG A 31 1.952 16.194 15.932 1.00 0.00 C ATOM 492 C ARG A 31 3.209 15.654 15.296 1.00 0.00 C ATOM 493 O ARG A 31 3.567 16.085 14.201 1.00 0.00 O ATOM 494 CB ARG A 31 2.366 17.246 16.984 1.00 0.00 C ATOM 495 CG ARG A 31 2.867 18.584 16.421 1.00 0.00 C ATOM 496 CD ARG A 31 1.751 19.444 15.826 1.00 0.00 C ATOM 497 NE ARG A 31 2.352 20.741 15.405 1.00 0.00 N ATOM 498 CZ ARG A 31 1.616 21.641 14.692 1.00 0.00 C ATOM 499 NH1 ARG A 31 0.332 21.345 14.339 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.161 22.840 14.333 1.00 0.00 N ATOM 0 H ARG A 31 1.108 15.171 17.522 1.00 0.00 H new ATOM 0 HA ARG A 31 1.325 16.662 15.173 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.512 17.442 17.632 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.150 16.819 17.610 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.362 19.142 17.215 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.616 18.390 15.653 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.293 18.941 14.974 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.963 19.609 16.560 1.00 0.00 H new ATOM 0 HE ARG A 31 3.318 20.957 15.651 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.078 20.451 14.608 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.218 22.018 13.806 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.120 23.064 14.598 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.609 23.512 13.800 1.00 0.00 H new ATOM 514 N ARG A 32 3.915 14.724 15.988 1.00 0.00 N ATOM 515 CA ARG A 32 5.206 14.223 15.578 1.00 0.00 C ATOM 516 C ARG A 32 5.115 13.338 14.376 1.00 0.00 C ATOM 517 O ARG A 32 5.880 13.515 13.429 1.00 0.00 O ATOM 518 CB ARG A 32 5.894 13.373 16.658 1.00 0.00 C ATOM 519 CG ARG A 32 6.461 14.194 17.820 1.00 0.00 C ATOM 520 CD ARG A 32 6.785 13.315 19.030 1.00 0.00 C ATOM 521 NE ARG A 32 7.153 14.207 20.166 1.00 0.00 N ATOM 522 CZ ARG A 32 7.219 13.721 21.440 1.00 0.00 C ATOM 523 NH1 ARG A 32 6.978 12.400 21.690 1.00 0.00 N ATOM 524 NH2 ARG A 32 7.526 14.562 22.471 1.00 0.00 N ATOM 0 H ARG A 32 3.578 14.309 16.857 1.00 0.00 H new ATOM 0 HA ARG A 32 5.780 15.126 15.371 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.178 12.651 17.050 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.702 12.803 16.199 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.363 14.711 17.494 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.742 14.960 18.109 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.926 12.698 19.293 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.605 12.636 18.798 1.00 0.00 H new ATOM 0 HE ARG A 32 7.358 15.191 19.990 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.747 11.770 20.922 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.029 12.044 22.644 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.705 15.549 22.288 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.576 14.203 23.424 1.00 0.00 H new ATOM 538 N ARG A 33 4.185 12.356 14.405 1.00 0.00 N ATOM 539 CA ARG A 33 3.952 11.457 13.303 1.00 0.00 C ATOM 540 C ARG A 33 3.316 12.184 12.163 1.00 0.00 C ATOM 541 O ARG A 33 3.631 11.924 11.002 1.00 0.00 O ATOM 542 CB ARG A 33 3.019 10.298 13.700 1.00 0.00 C ATOM 543 CG ARG A 33 3.673 8.909 13.802 1.00 0.00 C ATOM 544 CD ARG A 33 5.058 8.822 14.464 1.00 0.00 C ATOM 545 NE ARG A 33 5.004 9.357 15.853 1.00 0.00 N ATOM 546 CZ ARG A 33 6.149 9.448 16.594 1.00 0.00 C ATOM 547 NH1 ARG A 33 7.342 9.050 16.065 1.00 0.00 N ATOM 548 NH2 ARG A 33 6.102 9.938 17.867 1.00 0.00 N ATOM 0 H ARG A 33 3.582 12.182 15.209 1.00 0.00 H new ATOM 0 HA ARG A 33 4.924 11.057 13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.566 10.536 14.663 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.210 10.244 12.972 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.995 8.258 14.354 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.756 8.502 12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.396 7.786 14.479 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.784 9.386 13.878 1.00 0.00 H new ATOM 0 HE ARG A 33 4.113 9.655 16.251 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.381 8.683 15.114 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.195 9.119 16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.212 10.237 18.266 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.957 10.006 18.419 1.00 0.00 H new ATOM 562 N GLY A 34 2.425 13.132 12.492 1.00 0.00 N ATOM 563 CA GLY A 34 1.857 14.035 11.539 1.00 0.00 C ATOM 564 C GLY A 34 0.678 13.406 10.899 1.00 0.00 C ATOM 565 O GLY A 34 0.677 13.121 9.703 1.00 0.00 O ATOM 0 H GLY A 34 2.089 13.276 13.444 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.564 14.962 12.031 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.598 14.295 10.783 1.00 0.00 H new ATOM 569 N LEU A 35 -0.380 13.239 11.716 1.00 0.00 N ATOM 570 CA LEU A 35 -1.704 12.991 11.231 1.00 0.00 C ATOM 571 C LEU A 35 -2.457 14.208 11.658 1.00 0.00 C ATOM 572 O LEU A 35 -3.677 14.184 11.808 1.00 0.00 O ATOM 573 CB LEU A 35 -2.413 11.803 11.903 1.00 0.00 C ATOM 574 CG LEU A 35 -1.612 10.479 11.987 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.436 9.380 12.683 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.132 9.978 10.613 1.00 0.00 C ATOM 0 H LEU A 35 -0.314 13.277 12.733 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.663 12.774 10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.691 12.099 12.915 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.339 11.608 11.362 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.725 10.701 12.580 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.851 8.461 12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.689 9.700 13.694 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.351 9.200 12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.578 9.048 10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.993 9.803 9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.485 10.728 10.158 1.00 0.00 H new ATOM 588 N THR A 36 -1.700 15.307 11.889 1.00 0.00 N ATOM 589 CA THR A 36 -2.200 16.529 12.452 1.00 0.00 C ATOM 590 C THR A 36 -2.638 17.434 11.347 1.00 0.00 C ATOM 591 O THR A 36 -3.288 18.449 11.585 1.00 0.00 O ATOM 592 CB THR A 36 -1.163 17.207 13.332 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.666 18.377 13.958 1.00 0.00 O ATOM 594 CG2 THR A 36 0.117 17.566 12.548 1.00 0.00 C ATOM 0 H THR A 36 -0.703 15.343 11.675 1.00 0.00 H new ATOM 0 HA THR A 36 -3.052 16.297 13.091 1.00 0.00 H new ATOM 0 HB THR A 36 -0.915 16.478 14.103 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.621 18.262 14.147 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.830 18.048 13.217 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.560 16.658 12.139 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.134 18.246 11.734 1.00 0.00 H new ATOM 602 N SER A 37 -2.300 17.060 10.099 1.00 0.00 N ATOM 603 CA SER A 37 -2.589 17.885 8.956 1.00 0.00 C ATOM 604 C SER A 37 -3.265 17.035 7.921 1.00 0.00 C ATOM 605 O SER A 37 -2.572 16.264 7.256 1.00 0.00 O ATOM 606 CB SER A 37 -1.320 18.486 8.330 1.00 0.00 C ATOM 607 OG SER A 37 -1.661 19.293 7.214 1.00 0.00 O ATOM 0 H SER A 37 -1.825 16.185 9.877 1.00 0.00 H new ATOM 0 HA SER A 37 -3.222 18.708 9.289 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.787 19.083 9.071 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.646 17.688 8.019 1.00 0.00 H new ATOM 0 HG SER A 37 -0.846 19.672 6.823 1.00 0.00 H new ATOM 613 N PRO A 38 -4.570 17.113 7.692 1.00 0.00 N ATOM 614 CA PRO A 38 -5.590 17.640 8.568 1.00 0.00 C ATOM 615 C PRO A 38 -5.774 16.645 9.680 1.00 0.00 C ATOM 616 O PRO A 38 -5.387 15.485 9.522 1.00 0.00 O ATOM 617 CB PRO A 38 -6.841 17.697 7.691 1.00 0.00 C ATOM 618 CG PRO A 38 -6.641 16.582 6.659 1.00 0.00 C ATOM 619 CD PRO A 38 -5.122 16.541 6.479 1.00 0.00 C ATOM 0 HA PRO A 38 -5.360 18.613 9.001 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.745 17.536 8.279 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.943 18.669 7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.030 15.628 7.016 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.152 16.804 5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.772 15.519 6.333 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.816 17.111 5.602 1.00 0.00 H new ATOM 627 N CYS A 39 -6.356 17.102 10.816 1.00 0.00 N ATOM 628 CA CYS A 39 -6.550 16.311 11.988 1.00 0.00 C ATOM 629 C CYS A 39 -7.466 15.167 11.689 1.00 0.00 C ATOM 630 O CYS A 39 -8.579 15.356 11.197 1.00 0.00 O ATOM 631 CB CYS A 39 -7.224 17.116 13.107 1.00 0.00 C ATOM 632 SG CYS A 39 -6.316 18.632 13.509 1.00 0.00 S ATOM 0 H CYS A 39 -6.701 18.057 10.913 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.563 15.972 12.303 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.239 17.373 12.805 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.304 16.496 14.000 1.00 0.00 H new ATOM 637 N LYS A 40 -6.975 13.947 11.993 1.00 0.00 N ATOM 638 CA LYS A 40 -7.695 12.722 11.821 1.00 0.00 C ATOM 639 C LYS A 40 -8.724 12.672 12.908 1.00 0.00 C ATOM 640 O LYS A 40 -8.473 13.119 14.023 1.00 0.00 O ATOM 641 CB LYS A 40 -6.751 11.501 11.925 1.00 0.00 C ATOM 642 CG LYS A 40 -7.386 10.132 11.627 1.00 0.00 C ATOM 643 CD LYS A 40 -7.935 9.985 10.199 1.00 0.00 C ATOM 644 CE LYS A 40 -8.640 8.647 9.961 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.870 8.559 10.781 1.00 0.00 N ATOM 0 H LYS A 40 -6.039 13.811 12.374 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.156 12.686 10.834 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.918 11.651 11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.333 11.474 12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.642 9.355 11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.197 9.959 12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.634 10.797 9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.115 10.088 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.891 8.544 8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.969 7.825 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.518 7.861 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.623 8.265 11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.335 9.489 10.810 1.00 0.00 H new ATOM 659 N ASP A 41 -9.919 12.134 12.575 1.00 0.00 N ATOM 660 CA ASP A 41 -11.055 12.140 13.453 1.00 0.00 C ATOM 661 C ASP A 41 -10.907 11.134 14.549 1.00 0.00 C ATOM 662 O ASP A 41 -11.299 11.400 15.683 1.00 0.00 O ATOM 663 CB ASP A 41 -12.367 11.818 12.725 1.00 0.00 C ATOM 664 CG ASP A 41 -12.554 12.849 11.622 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.662 14.060 11.953 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.591 12.439 10.431 1.00 0.00 O ATOM 0 H ASP A 41 -10.098 11.686 11.676 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.095 13.152 13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.334 10.812 12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.206 11.846 13.420 1.00 0.00 H new ATOM 671 N ILE A 42 -10.357 9.946 14.232 1.00 0.00 N ATOM 672 CA ILE A 42 -10.140 8.947 15.236 1.00 0.00 C ATOM 673 C ILE A 42 -8.930 8.182 14.801 1.00 0.00 C ATOM 674 O ILE A 42 -8.846 7.719 13.664 1.00 0.00 O ATOM 675 CB ILE A 42 -11.345 8.033 15.472 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.062 6.994 16.582 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.851 7.392 14.157 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.303 6.201 17.001 1.00 0.00 C ATOM 0 H ILE A 42 -10.065 9.679 13.292 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.990 9.423 16.205 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.163 8.655 15.836 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.297 6.300 16.234 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.655 7.506 17.454 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.707 6.751 14.370 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.149 8.176 13.461 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.054 6.796 13.712 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.034 5.490 17.782 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.062 6.886 17.379 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.698 5.661 16.140 1.00 0.00 H new ATOM 690 N ASN A 43 -7.949 8.031 15.712 1.00 0.00 N ATOM 691 CA ASN A 43 -6.835 7.168 15.419 1.00 0.00 C ATOM 692 C ASN A 43 -6.393 6.560 16.705 1.00 0.00 C ATOM 693 O ASN A 43 -6.106 7.258 17.677 1.00 0.00 O ATOM 694 CB ASN A 43 -5.638 7.868 14.749 1.00 0.00 C ATOM 695 CG ASN A 43 -4.649 6.831 14.217 1.00 0.00 C ATOM 696 OD1 ASN A 43 -4.906 6.191 13.191 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.490 6.692 14.927 1.00 0.00 N ATOM 0 H ASN A 43 -7.921 8.488 16.624 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.178 6.428 14.696 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.988 8.500 13.933 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.141 8.520 15.467 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.778 6.030 14.617 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.337 7.250 15.767 1.00 0.00 H new ATOM 704 N THR A 44 -6.336 5.214 16.708 1.00 0.00 N ATOM 705 CA THR A 44 -6.020 4.446 17.873 1.00 0.00 C ATOM 706 C THR A 44 -4.599 4.010 17.783 1.00 0.00 C ATOM 707 O THR A 44 -4.253 3.209 16.919 1.00 0.00 O ATOM 708 CB THR A 44 -6.910 3.237 17.951 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.254 3.680 17.880 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.696 2.473 19.266 1.00 0.00 C ATOM 0 H THR A 44 -6.514 4.646 15.879 1.00 0.00 H new ATOM 0 HA THR A 44 -6.173 5.053 18.765 1.00 0.00 H new ATOM 0 HB THR A 44 -6.673 2.562 17.129 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.833 2.930 17.629 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.353 1.604 19.293 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.659 2.145 19.332 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.924 3.127 20.108 1.00 0.00 H new ATOM 718 N PHE A 45 -3.742 4.511 18.699 1.00 0.00 N ATOM 719 CA PHE A 45 -2.371 4.080 18.711 1.00 0.00 C ATOM 720 C PHE A 45 -2.314 2.824 19.529 1.00 0.00 C ATOM 721 O PHE A 45 -2.771 2.812 20.669 1.00 0.00 O ATOM 722 CB PHE A 45 -1.352 5.086 19.294 1.00 0.00 C ATOM 723 CG PHE A 45 -1.242 6.315 18.436 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.130 7.354 18.640 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.251 6.476 17.473 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.055 8.504 17.881 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.172 7.634 16.728 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.077 8.649 16.920 1.00 0.00 C ATOM 0 H PHE A 45 -3.988 5.196 19.413 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.078 3.951 17.669 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.655 5.370 20.302 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.375 4.610 19.377 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.891 7.265 19.401 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.465 5.685 17.307 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.769 9.298 18.041 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.607 7.743 15.988 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.023 9.549 16.326 1.00 0.00 H new ATOM 738 N ILE A 46 -1.752 1.735 18.950 1.00 0.00 N ATOM 739 CA ILE A 46 -1.637 0.458 19.597 1.00 0.00 C ATOM 740 C ILE A 46 -0.289 0.439 20.208 1.00 0.00 C ATOM 741 O ILE A 46 0.662 1.001 19.678 1.00 0.00 O ATOM 742 CB ILE A 46 -1.674 -0.715 18.634 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.908 -0.617 17.715 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.582 -2.070 19.375 1.00 0.00 C ATOM 745 CD1 ILE A 46 -2.998 -1.795 16.749 1.00 0.00 C ATOM 0 H ILE A 46 -1.368 1.747 18.005 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.470 0.351 20.292 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.791 -0.666 17.997 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.811 -0.578 18.324 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.865 0.313 17.149 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.612 -2.884 18.650 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.648 -2.116 19.934 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.422 -2.166 20.063 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.882 -1.684 16.121 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.108 -1.819 16.121 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.068 -2.724 17.314 1.00 0.00 H new ATOM 757 N HIS A 47 -0.217 -0.237 21.359 1.00 0.00 N ATOM 758 CA HIS A 47 0.942 -0.319 22.202 1.00 0.00 C ATOM 759 C HIS A 47 1.083 -1.731 22.652 1.00 0.00 C ATOM 760 O HIS A 47 0.154 -2.308 23.218 1.00 0.00 O ATOM 761 CB HIS A 47 0.849 0.492 23.497 1.00 0.00 C ATOM 762 CG HIS A 47 0.031 1.731 23.364 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.273 2.721 22.440 1.00 0.00 N ATOM 764 CD2 HIS A 47 -1.052 2.140 24.073 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.663 3.670 22.630 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.492 3.363 23.607 1.00 0.00 N ATOM 0 H HIS A 47 -1.010 -0.760 21.730 1.00 0.00 H new ATOM 0 HA HIS A 47 1.767 0.067 21.603 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.421 -0.135 24.279 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.854 0.762 23.820 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.019 2.734 21.744 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.504 1.589 24.884 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.727 4.578 22.049 1.00 0.00 H new ATOM 774 N GLY A 48 2.278 -2.312 22.452 1.00 0.00 N ATOM 775 CA GLY A 48 2.534 -3.611 22.989 1.00 0.00 C ATOM 776 C GLY A 48 3.653 -4.186 22.203 1.00 0.00 C ATOM 777 O GLY A 48 4.526 -3.458 21.734 1.00 0.00 O ATOM 0 H GLY A 48 3.050 -1.895 21.932 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.796 -3.548 24.045 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.647 -4.241 22.917 1.00 0.00 H new ATOM 781 N ASN A 49 3.634 -5.525 22.058 1.00 0.00 N ATOM 782 CA ASN A 49 4.613 -6.218 21.279 1.00 0.00 C ATOM 783 C ASN A 49 4.188 -6.182 19.854 1.00 0.00 C ATOM 784 O ASN A 49 3.020 -6.360 19.514 1.00 0.00 O ATOM 785 CB ASN A 49 4.765 -7.698 21.653 1.00 0.00 C ATOM 786 CG ASN A 49 5.949 -7.857 22.601 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.980 -7.300 23.704 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.952 -8.658 22.126 1.00 0.00 N ATOM 0 H ASN A 49 2.933 -6.131 22.485 1.00 0.00 H new ATOM 0 HA ASN A 49 5.565 -5.720 21.464 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.853 -8.061 22.127 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.919 -8.298 20.756 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.784 -8.823 22.692 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.867 -9.090 21.206 1.00 0.00 H new ATOM 795 N LYS A 50 5.186 -5.993 18.973 1.00 0.00 N ATOM 796 CA LYS A 50 4.963 -5.923 17.562 1.00 0.00 C ATOM 797 C LYS A 50 4.954 -7.319 17.017 1.00 0.00 C ATOM 798 O LYS A 50 4.510 -7.558 15.897 1.00 0.00 O ATOM 799 CB LYS A 50 6.129 -5.206 16.868 1.00 0.00 C ATOM 800 CG LYS A 50 5.759 -4.525 15.548 1.00 0.00 C ATOM 801 CD LYS A 50 6.872 -3.583 15.075 1.00 0.00 C ATOM 802 CE LYS A 50 7.673 -4.075 13.871 1.00 0.00 C ATOM 803 NZ LYS A 50 8.342 -5.361 14.154 1.00 0.00 N ATOM 0 H LYS A 50 6.164 -5.887 19.244 1.00 0.00 H new ATOM 0 HA LYS A 50 4.026 -5.394 17.386 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.535 -4.457 17.548 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.923 -5.929 16.680 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.572 -5.282 14.786 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.833 -3.963 15.673 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.429 -2.619 14.827 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.559 -3.414 15.904 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.010 -4.190 13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.419 -3.328 13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.877 -5.666 13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.993 -5.244 14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.628 -6.079 14.389 1.00 0.00 H new ATOM 817 N ARG A 51 5.467 -8.271 17.828 1.00 0.00 N ATOM 818 CA ARG A 51 5.516 -9.671 17.533 1.00 0.00 C ATOM 819 C ARG A 51 4.165 -10.242 17.800 1.00 0.00 C ATOM 820 O ARG A 51 3.745 -11.193 17.142 1.00 0.00 O ATOM 821 CB ARG A 51 6.506 -10.460 18.420 1.00 0.00 C ATOM 822 CG ARG A 51 7.994 -10.169 18.158 1.00 0.00 C ATOM 823 CD ARG A 51 8.521 -8.843 18.726 1.00 0.00 C ATOM 824 NE ARG A 51 9.952 -8.691 18.326 1.00 0.00 N ATOM 825 CZ ARG A 51 10.310 -8.098 17.147 1.00 0.00 C ATOM 826 NH1 ARG A 51 9.362 -7.654 16.270 1.00 0.00 N ATOM 827 NH2 ARG A 51 11.633 -7.953 16.841 1.00 0.00 N ATOM 0 H ARG A 51 5.869 -8.047 18.739 1.00 0.00 H new ATOM 0 HA ARG A 51 5.840 -9.762 16.496 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.288 -10.240 19.465 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.329 -11.526 18.275 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.584 -10.984 18.578 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.163 -10.175 17.081 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.931 -8.008 18.348 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.428 -8.833 19.812 1.00 0.00 H new ATOM 0 HE ARG A 51 10.681 -9.039 18.949 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.372 -7.763 16.491 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.644 -7.214 15.394 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.346 -8.286 17.490 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.908 -7.512 15.964 1.00 0.00 H new ATOM 841 N SER A 52 3.460 -9.651 18.788 1.00 0.00 N ATOM 842 CA SER A 52 2.119 -9.990 19.127 1.00 0.00 C ATOM 843 C SER A 52 1.186 -9.473 18.090 1.00 0.00 C ATOM 844 O SER A 52 0.204 -10.153 17.807 1.00 0.00 O ATOM 845 CB SER A 52 1.697 -9.477 20.503 1.00 0.00 C ATOM 846 OG SER A 52 2.352 -10.222 21.518 1.00 0.00 O ATOM 0 H SER A 52 3.846 -8.908 19.370 1.00 0.00 H new ATOM 0 HA SER A 52 2.074 -11.078 19.168 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.945 -8.420 20.598 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.616 -9.563 20.617 1.00 0.00 H new ATOM 0 HG SER A 52 2.079 -9.887 22.398 1.00 0.00 H new ATOM 852 N ILE A 53 1.464 -8.274 17.514 1.00 0.00 N ATOM 853 CA ILE A 53 0.704 -7.725 16.409 1.00 0.00 C ATOM 854 C ILE A 53 0.751 -8.644 15.210 1.00 0.00 C ATOM 855 O ILE A 53 -0.303 -9.005 14.686 1.00 0.00 O ATOM 856 CB ILE A 53 1.122 -6.304 16.046 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.697 -5.360 17.189 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.526 -5.847 14.696 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.267 -3.951 17.061 1.00 0.00 C ATOM 0 H ILE A 53 2.230 -7.674 17.820 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.331 -7.656 16.744 1.00 0.00 H new ATOM 0 HB ILE A 53 2.205 -6.276 15.924 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.391 -5.302 17.215 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.016 -5.787 18.140 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.852 -4.829 14.480 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.868 -6.513 13.903 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.562 -5.876 14.750 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.926 -3.343 17.899 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.356 -3.997 17.065 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.927 -3.504 16.127 1.00 0.00 H new ATOM 871 N LYS A 54 1.969 -9.053 14.770 1.00 0.00 N ATOM 872 CA LYS A 54 2.162 -9.950 13.648 1.00 0.00 C ATOM 873 C LYS A 54 1.469 -11.268 13.830 1.00 0.00 C ATOM 874 O LYS A 54 0.886 -11.801 12.883 1.00 0.00 O ATOM 875 CB LYS A 54 3.630 -10.328 13.388 1.00 0.00 C ATOM 876 CG LYS A 54 4.486 -9.185 12.832 1.00 0.00 C ATOM 877 CD LYS A 54 5.952 -9.608 12.664 1.00 0.00 C ATOM 878 CE LYS A 54 6.900 -8.459 12.306 1.00 0.00 C ATOM 879 NZ LYS A 54 6.606 -7.946 10.952 1.00 0.00 N ATOM 0 H LYS A 54 2.842 -8.754 15.204 1.00 0.00 H new ATOM 0 HA LYS A 54 1.752 -9.373 12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.073 -10.678 14.320 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.660 -11.163 12.687 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.086 -8.865 11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.429 -8.327 13.502 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.293 -10.071 13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.012 -10.369 11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.798 -7.655 13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.933 -8.804 12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.498 -7.751 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.062 -8.656 10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.052 -7.069 11.026 1.00 0.00 H new ATOM 893 N ALA A 55 1.503 -11.812 15.069 1.00 0.00 N ATOM 894 CA ALA A 55 0.964 -13.106 15.381 1.00 0.00 C ATOM 895 C ALA A 55 -0.537 -13.136 15.540 1.00 0.00 C ATOM 896 O ALA A 55 -1.076 -14.153 15.974 1.00 0.00 O ATOM 897 CB ALA A 55 1.558 -13.684 16.672 1.00 0.00 C ATOM 0 H ALA A 55 1.916 -11.338 15.872 1.00 0.00 H new ATOM 0 HA ALA A 55 1.240 -13.706 14.514 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.121 -14.663 16.867 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.638 -13.784 16.563 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.338 -13.016 17.505 1.00 0.00 H new ATOM 903 N ILE A 56 -1.254 -12.043 15.177 1.00 0.00 N ATOM 904 CA ILE A 56 -2.691 -12.051 15.115 1.00 0.00 C ATOM 905 C ILE A 56 -3.070 -12.727 13.841 1.00 0.00 C ATOM 906 O ILE A 56 -4.121 -13.363 13.774 1.00 0.00 O ATOM 907 CB ILE A 56 -3.304 -10.665 15.159 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.872 -9.981 16.464 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.845 -10.716 15.058 1.00 0.00 C ATOM 910 CD1 ILE A 56 -3.117 -8.477 16.450 1.00 0.00 C ATOM 0 H ILE A 56 -0.832 -11.149 14.925 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.073 -12.574 15.992 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.950 -10.095 14.300 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.414 -10.425 17.299 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.812 -10.171 16.635 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.246 -9.703 15.093 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.133 -11.188 14.118 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.245 -11.294 15.891 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.793 -8.047 17.398 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.554 -8.024 15.634 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.180 -8.283 16.308 1.00 0.00 H new ATOM 922 N CYS A 57 -2.209 -12.601 12.805 1.00 0.00 N ATOM 923 CA CYS A 57 -2.496 -13.177 11.519 1.00 0.00 C ATOM 924 C CYS A 57 -2.470 -14.681 11.551 1.00 0.00 C ATOM 925 O CYS A 57 -3.336 -15.322 10.958 1.00 0.00 O ATOM 926 CB CYS A 57 -1.583 -12.709 10.380 1.00 0.00 C ATOM 927 SG CYS A 57 -2.278 -13.276 8.803 1.00 0.00 S ATOM 0 H CYS A 57 -1.320 -12.104 12.858 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.501 -12.814 11.306 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.499 -11.622 10.386 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.577 -13.108 10.514 1.00 0.00 H new ATOM 932 N GLU A 58 -1.491 -15.284 12.264 1.00 0.00 N ATOM 933 CA GLU A 58 -1.505 -16.707 12.471 1.00 0.00 C ATOM 934 C GLU A 58 -2.475 -17.009 13.570 1.00 0.00 C ATOM 935 O GLU A 58 -2.747 -16.168 14.428 1.00 0.00 O ATOM 936 CB GLU A 58 -0.135 -17.319 12.841 1.00 0.00 C ATOM 937 CG GLU A 58 0.536 -16.694 14.069 1.00 0.00 C ATOM 938 CD GLU A 58 1.866 -17.394 14.303 1.00 0.00 C ATOM 939 OE1 GLU A 58 1.848 -18.622 14.586 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.917 -16.707 14.209 1.00 0.00 O ATOM 0 H GLU A 58 -0.703 -14.796 12.690 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.789 -17.156 11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.266 -18.386 13.019 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.535 -17.218 11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.692 -15.627 13.913 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.105 -16.797 14.944 1.00 0.00 H new ATOM 947 N ASN A 59 -3.012 -18.247 13.560 1.00 0.00 N ATOM 948 CA ASN A 59 -3.893 -18.707 14.591 1.00 0.00 C ATOM 949 C ASN A 59 -3.060 -19.151 15.755 1.00 0.00 C ATOM 950 O ASN A 59 -2.515 -20.253 15.781 1.00 0.00 O ATOM 951 CB ASN A 59 -4.857 -19.827 14.137 1.00 0.00 C ATOM 952 CG ASN A 59 -4.199 -20.748 13.103 1.00 0.00 C ATOM 953 OD1 ASN A 59 -3.430 -21.660 13.430 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.553 -20.500 11.804 1.00 0.00 N ATOM 0 H ASN A 59 -2.832 -18.935 12.828 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.542 -17.878 14.872 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.169 -20.413 15.002 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.757 -19.384 13.711 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.178 -21.080 11.054 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.191 -19.735 11.587 1.00 0.00 H new ATOM 961 N LYS A 60 -2.946 -18.260 16.758 1.00 0.00 N ATOM 962 CA LYS A 60 -2.152 -18.515 17.918 1.00 0.00 C ATOM 963 C LYS A 60 -2.692 -17.569 18.928 1.00 0.00 C ATOM 964 O LYS A 60 -2.993 -17.943 20.061 1.00 0.00 O ATOM 965 CB LYS A 60 -0.643 -18.244 17.698 1.00 0.00 C ATOM 966 CG LYS A 60 0.259 -18.471 18.924 1.00 0.00 C ATOM 967 CD LYS A 60 0.245 -19.915 19.451 1.00 0.00 C ATOM 968 CE LYS A 60 1.217 -20.139 20.614 1.00 0.00 C ATOM 969 NZ LYS A 60 0.840 -19.302 21.774 1.00 0.00 N ATOM 0 H LYS A 60 -3.411 -17.352 16.763 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.210 -19.564 18.208 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.292 -18.883 16.888 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.522 -17.213 17.366 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.282 -18.200 18.665 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.056 -17.800 19.723 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.765 -20.168 19.775 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.498 -20.595 18.638 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.214 -21.191 20.901 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.232 -19.898 20.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.411 -19.575 22.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.012 -18.301 21.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.168 -19.441 21.989 1.00 0.00 H new ATOM 983 N ASN A 61 -2.819 -16.303 18.503 1.00 0.00 N ATOM 984 CA ASN A 61 -3.355 -15.266 19.329 1.00 0.00 C ATOM 985 C ASN A 61 -4.132 -14.370 18.420 1.00 0.00 C ATOM 986 O ASN A 61 -4.031 -13.146 18.470 1.00 0.00 O ATOM 987 CB ASN A 61 -2.302 -14.484 20.156 1.00 0.00 C ATOM 988 CG ASN A 61 -1.081 -14.082 19.325 1.00 0.00 C ATOM 989 OD1 ASN A 61 -0.194 -14.898 19.051 1.00 0.00 O ATOM 990 ND2 ASN A 61 -1.034 -12.764 18.963 1.00 0.00 N ATOM 0 H ASN A 61 -2.546 -15.992 17.571 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.985 -15.713 20.099 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.764 -13.589 20.572 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.978 -15.097 20.998 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.236 -12.408 18.438 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.797 -12.138 19.218 1.00 0.00 H new ATOM 997 N GLY A 62 -4.968 -14.985 17.566 1.00 0.00 N ATOM 998 CA GLY A 62 -5.863 -14.213 16.765 1.00 0.00 C ATOM 999 C GLY A 62 -6.712 -15.176 16.011 1.00 0.00 C ATOM 1000 O GLY A 62 -6.204 -16.108 15.390 1.00 0.00 O ATOM 0 H GLY A 62 -5.025 -15.994 17.431 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.477 -13.564 17.389 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.311 -13.568 16.081 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.040 -14.961 16.081 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.018 -15.884 15.579 1.00 0.00 C ATOM 1006 C ASN A 63 -9.707 -15.179 14.444 1.00 0.00 C ATOM 1007 O ASN A 63 -9.614 -13.954 14.398 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.032 -16.305 16.675 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.690 -15.100 17.356 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.756 -14.633 16.937 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.046 -14.626 18.468 1.00 0.00 N ATOM 0 H ASN A 63 -8.446 -14.123 16.498 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.545 -16.808 15.248 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.803 -16.934 16.230 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.522 -16.909 17.425 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.444 -13.849 18.996 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.168 -15.050 18.768 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.387 -15.868 13.527 1.00 0.00 N ATOM 1019 CA PRO A 64 -11.036 -15.245 12.402 1.00 0.00 C ATOM 1020 C PRO A 64 -12.246 -14.521 12.909 1.00 0.00 C ATOM 1021 O PRO A 64 -12.960 -15.035 13.770 1.00 0.00 O ATOM 1022 CB PRO A 64 -11.411 -16.390 11.457 1.00 0.00 C ATOM 1023 CG PRO A 64 -11.340 -17.655 12.316 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.275 -17.305 13.352 1.00 0.00 C ATOM 0 HA PRO A 64 -10.411 -14.521 11.880 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.410 -16.249 11.044 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.723 -16.447 10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.299 -17.881 12.783 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.059 -18.528 11.727 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.447 -17.832 14.290 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.280 -17.585 13.007 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.457 -13.306 12.371 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.446 -12.393 12.849 1.00 0.00 C ATOM 1034 C HIS A 65 -14.033 -11.741 11.644 1.00 0.00 C ATOM 1035 O HIS A 65 -13.299 -11.220 10.811 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.792 -11.294 13.709 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.640 -10.085 13.964 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.775 -10.108 14.729 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -13.458 -8.807 13.556 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.267 -8.876 14.778 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -14.485 -8.068 14.076 1.00 0.00 N ATOM 0 H HIS A 65 -11.922 -12.949 11.579 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.188 -12.918 13.450 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.510 -11.727 14.668 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.871 -10.974 13.221 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.653 -8.440 12.936 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.161 -8.579 15.306 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -14.625 -7.066 13.946 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.384 -11.740 11.570 1.00 0.00 N ATOM 1051 CA ARG A 66 -16.159 -11.008 10.601 1.00 0.00 C ATOM 1052 C ARG A 66 -15.926 -11.525 9.205 1.00 0.00 C ATOM 1053 O ARG A 66 -16.390 -12.612 8.864 1.00 0.00 O ATOM 1054 CB ARG A 66 -15.977 -9.473 10.715 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.097 -8.645 10.060 1.00 0.00 C ATOM 1056 CD ARG A 66 -16.839 -7.135 10.128 1.00 0.00 C ATOM 1057 NE ARG A 66 -16.733 -6.741 11.563 1.00 0.00 N ATOM 1058 CZ ARG A 66 -16.325 -5.487 11.918 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -16.020 -4.564 10.961 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -16.221 -5.157 13.239 1.00 0.00 N ATOM 0 H ARG A 66 -15.964 -12.275 12.217 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.208 -11.188 10.835 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.914 -9.205 11.770 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.026 -9.198 10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.201 -8.944 9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.043 -8.870 10.552 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.922 -6.882 9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.649 -6.589 9.643 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.969 -7.418 12.289 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.096 -4.809 9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.716 -3.629 11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.448 -5.846 13.956 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.917 -4.222 13.509 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.219 -10.741 8.360 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.993 -11.054 6.982 1.00 0.00 C ATOM 1076 C GLU A 67 -13.587 -10.642 6.721 1.00 0.00 C ATOM 1077 O GLU A 67 -13.319 -9.478 6.430 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.882 -10.266 5.995 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.354 -10.695 6.003 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.100 -9.846 4.984 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.763 -9.937 3.773 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -19.021 -9.096 5.404 1.00 0.00 O ATOM 0 H GLU A 67 -14.792 -9.861 8.650 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.215 -12.110 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.822 -9.205 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.484 -10.387 4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.443 -11.753 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.784 -10.563 6.996 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.669 -11.630 6.832 1.00 0.00 N ATOM 1090 CA ASN A 68 -11.243 -11.584 6.565 1.00 0.00 C ATOM 1091 C ASN A 68 -10.472 -10.662 7.471 1.00 0.00 C ATOM 1092 O ASN A 68 -9.372 -10.224 7.133 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.806 -11.455 5.069 1.00 0.00 C ATOM 1094 CG ASN A 68 -11.272 -10.183 4.341 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -12.246 -10.230 3.579 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.553 -9.042 4.566 1.00 0.00 N ATOM 0 H ASN A 68 -12.952 -12.560 7.141 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.951 -12.601 6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.718 -11.499 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.183 -12.321 4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.812 -8.175 4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.758 -9.058 5.205 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.023 -10.379 8.668 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.348 -9.610 9.669 1.00 0.00 C ATOM 1105 C LEU A 69 -9.966 -10.627 10.681 1.00 0.00 C ATOM 1106 O LEU A 69 -10.435 -11.762 10.619 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.238 -8.559 10.358 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.062 -7.659 9.409 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -12.961 -6.707 10.214 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.196 -6.849 8.431 1.00 0.00 C ATOM 0 H LEU A 69 -11.954 -10.690 8.945 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.526 -9.050 9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.925 -9.074 11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.606 -7.922 10.976 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.674 -8.333 8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.534 -6.081 9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.645 -7.288 10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.343 -6.075 10.852 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.838 -6.240 7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.522 -6.202 8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.613 -7.530 7.811 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.105 -10.251 11.641 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.790 -11.138 12.725 1.00 0.00 C ATOM 1124 C ARG A 70 -8.688 -10.317 13.956 1.00 0.00 C ATOM 1125 O ARG A 70 -7.914 -9.363 14.016 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.479 -11.934 12.573 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.595 -13.078 11.559 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.450 -14.083 11.629 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.780 -15.235 10.737 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.475 -15.235 9.405 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -5.845 -14.172 8.827 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.806 -16.319 8.642 1.00 0.00 N ATOM 0 H ARG A 70 -8.631 -9.348 11.672 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.586 -11.882 12.752 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.682 -11.258 12.262 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.192 -12.341 13.542 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.536 -13.602 11.723 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.636 -12.657 10.554 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.516 -13.616 11.316 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.308 -14.425 12.654 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.249 -16.049 11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.594 -13.360 9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.625 -14.189 7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.276 -17.118 9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.583 -16.329 7.647 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.480 -10.704 14.976 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.466 -10.042 16.244 1.00 0.00 C ATOM 1148 C ILE A 71 -8.460 -10.792 17.047 1.00 0.00 C ATOM 1149 O ILE A 71 -8.348 -12.010 16.923 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.838 -9.972 16.902 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.859 -8.945 18.055 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.349 -11.361 17.334 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.280 -8.530 18.444 1.00 0.00 C ATOM 0 H ILE A 71 -10.136 -11.483 14.919 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.197 -8.990 16.147 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.541 -9.615 16.149 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.357 -9.369 18.924 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.294 -8.061 17.760 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.330 -11.260 17.798 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.426 -12.008 16.460 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.653 -11.798 18.050 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.238 -7.807 19.259 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.776 -8.079 17.584 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.840 -9.408 18.766 1.00 0.00 H new ATOM 1165 N SER A 72 -7.684 -10.065 17.873 1.00 0.00 N ATOM 1166 CA SER A 72 -6.585 -10.641 18.586 1.00 0.00 C ATOM 1167 C SER A 72 -7.060 -11.276 19.850 1.00 0.00 C ATOM 1168 O SER A 72 -8.232 -11.194 20.217 1.00 0.00 O ATOM 1169 CB SER A 72 -5.509 -9.608 18.951 1.00 0.00 C ATOM 1170 OG SER A 72 -5.971 -8.696 19.932 1.00 0.00 O ATOM 0 H SER A 72 -7.820 -9.069 18.048 1.00 0.00 H new ATOM 0 HA SER A 72 -6.146 -11.381 17.918 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.622 -10.122 19.321 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.211 -9.061 18.057 1.00 0.00 H new ATOM 0 HG SER A 72 -5.258 -8.060 20.149 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.115 -11.936 20.544 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.385 -12.587 21.786 1.00 0.00 C ATOM 1178 C LYS A 73 -5.296 -12.126 22.700 1.00 0.00 C ATOM 1179 O LYS A 73 -5.254 -12.490 23.874 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.360 -14.120 21.637 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.075 -14.887 22.756 1.00 0.00 C ATOM 1182 CD LYS A 73 -7.163 -16.390 22.460 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.881 -17.172 23.562 1.00 0.00 C ATOM 1184 NZ LYS A 73 -7.940 -18.608 23.213 1.00 0.00 N ATOM 0 H LYS A 73 -5.146 -12.018 20.236 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.378 -12.342 22.163 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.817 -14.386 20.684 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.322 -14.450 21.595 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.545 -14.733 23.696 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.079 -14.484 22.887 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.686 -16.539 21.515 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.157 -16.790 22.334 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.359 -17.042 24.510 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.890 -16.781 23.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.430 -19.129 23.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.458 -18.727 22.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.974 -18.979 23.106 1.00 0.00 H new ATOM 1198 N SER A 74 -4.381 -11.292 22.157 1.00 0.00 N ATOM 1199 CA SER A 74 -3.264 -10.776 22.880 1.00 0.00 C ATOM 1200 C SER A 74 -3.533 -9.322 23.088 1.00 0.00 C ATOM 1201 O SER A 74 -2.921 -8.487 22.430 1.00 0.00 O ATOM 1202 CB SER A 74 -1.973 -10.938 22.062 1.00 0.00 C ATOM 1203 OG SER A 74 -2.197 -10.568 20.708 1.00 0.00 O ATOM 0 H SER A 74 -4.425 -10.972 21.190 1.00 0.00 H new ATOM 0 HA SER A 74 -3.135 -11.307 23.823 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.184 -10.319 22.489 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.630 -11.972 22.112 1.00 0.00 H new ATOM 0 HG SER A 74 -2.469 -9.627 20.667 1.00 0.00 H new ATOM 1209 N SER A 75 -4.470 -9.017 24.015 1.00 0.00 N ATOM 1210 CA SER A 75 -4.983 -7.698 24.306 1.00 0.00 C ATOM 1211 C SER A 75 -3.910 -6.679 24.555 1.00 0.00 C ATOM 1212 O SER A 75 -3.032 -6.851 25.399 1.00 0.00 O ATOM 1213 CB SER A 75 -5.949 -7.693 25.503 1.00 0.00 C ATOM 1214 OG SER A 75 -5.340 -8.292 26.636 1.00 0.00 O ATOM 0 H SER A 75 -4.898 -9.735 24.599 1.00 0.00 H new ATOM 0 HA SER A 75 -5.522 -7.417 23.401 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.241 -6.669 25.738 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.860 -8.233 25.245 1.00 0.00 H new ATOM 0 HG SER A 75 -5.123 -7.600 27.295 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.971 -5.593 23.755 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.936 -4.603 23.682 1.00 0.00 C ATOM 1222 C PHE A 76 -3.464 -3.394 24.338 1.00 0.00 C ATOM 1223 O PHE A 76 -4.675 -3.241 24.488 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.610 -4.143 22.244 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.155 -5.265 21.377 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.104 -6.005 20.703 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.810 -5.534 21.169 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.720 -7.027 19.868 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.423 -6.557 20.319 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.387 -7.307 19.682 1.00 0.00 C ATOM 0 H PHE A 76 -4.763 -5.399 23.142 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.044 -5.042 24.128 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.495 -3.683 21.804 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.836 -3.377 22.278 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.153 -5.781 20.832 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.060 -4.942 21.673 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.469 -7.613 19.356 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.624 -6.765 20.157 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.094 -8.119 19.033 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.541 -2.494 24.731 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.928 -1.223 25.240 1.00 0.00 C ATOM 1242 C GLN A 77 -3.200 -0.381 24.057 1.00 0.00 C ATOM 1243 O GLN A 77 -2.455 -0.432 23.087 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.873 -0.563 26.154 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.092 -1.485 27.092 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.646 -0.625 28.268 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.219 0.251 28.144 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.300 -0.889 29.440 1.00 0.00 N ATOM 0 H GLN A 77 -1.534 -2.650 24.694 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.801 -1.341 25.882 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.157 -0.039 25.521 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.375 0.191 26.761 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.715 -2.313 27.431 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.233 -1.921 26.582 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.004 -1.626 29.476 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.084 -0.349 30.278 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.302 0.394 24.089 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.718 1.107 22.918 1.00 0.00 C ATOM 1259 C VAL A 78 -5.293 2.422 23.350 1.00 0.00 C ATOM 1260 O VAL A 78 -6.374 2.468 23.933 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.775 0.391 22.105 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -5.027 -0.325 20.978 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -6.643 -0.572 22.939 1.00 0.00 C ATOM 0 H VAL A 78 -4.895 0.526 24.909 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.837 1.211 22.285 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.496 1.107 21.710 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.740 -0.863 20.353 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.494 0.408 20.372 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.314 -1.030 21.405 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.379 -1.051 22.293 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.009 -1.334 23.393 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.156 -0.014 23.722 1.00 0.00 H new ATOM 1273 N THR A 79 -4.587 3.532 23.052 1.00 0.00 N ATOM 1274 CA THR A 79 -5.075 4.843 23.382 1.00 0.00 C ATOM 1275 C THR A 79 -5.786 5.310 22.168 1.00 0.00 C ATOM 1276 O THR A 79 -5.161 5.594 21.147 1.00 0.00 O ATOM 1277 CB THR A 79 -3.997 5.835 23.737 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.307 5.365 24.877 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.600 7.201 24.096 1.00 0.00 C ATOM 0 H THR A 79 -3.681 3.524 22.584 1.00 0.00 H new ATOM 0 HA THR A 79 -5.703 4.776 24.270 1.00 0.00 H new ATOM 0 HB THR A 79 -3.336 5.943 22.877 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.670 4.669 24.610 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.800 7.897 24.348 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.161 7.586 23.245 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.267 7.091 24.951 1.00 0.00 H new ATOM 1287 N THR A 80 -7.123 5.405 22.274 1.00 0.00 N ATOM 1288 CA THR A 80 -7.934 5.865 21.196 1.00 0.00 C ATOM 1289 C THR A 80 -8.022 7.341 21.331 1.00 0.00 C ATOM 1290 O THR A 80 -8.744 7.853 22.185 1.00 0.00 O ATOM 1291 CB THR A 80 -9.321 5.290 21.227 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.231 3.874 21.238 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.097 5.756 19.984 1.00 0.00 C ATOM 0 H THR A 80 -7.644 5.160 23.116 1.00 0.00 H new ATOM 0 HA THR A 80 -7.485 5.552 20.254 1.00 0.00 H new ATOM 0 HB THR A 80 -9.846 5.629 22.120 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.115 3.491 21.420 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.104 5.339 20.006 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.155 6.844 19.978 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.583 5.415 19.085 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.280 8.053 20.469 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.284 9.477 20.503 1.00 0.00 C ATOM 1303 C CYS A 81 -8.292 9.926 19.526 1.00 0.00 C ATOM 1304 O CYS A 81 -8.154 9.701 18.325 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.942 10.077 20.119 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.652 9.186 20.999 1.00 0.00 S ATOM 0 H CYS A 81 -6.680 7.644 19.752 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.503 9.802 21.520 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.787 10.004 19.043 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.913 11.136 20.374 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.338 10.574 20.052 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.390 11.060 19.222 1.00 0.00 C ATOM 1313 C LYS A 82 -10.267 12.532 19.243 1.00 0.00 C ATOM 1314 O LYS A 82 -9.847 13.119 20.239 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.799 10.730 19.721 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.253 9.327 19.310 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.721 9.039 19.646 1.00 0.00 C ATOM 1318 CE LYS A 82 -13.931 8.303 20.976 1.00 0.00 C ATOM 1319 NZ LYS A 82 -13.477 9.111 22.129 1.00 0.00 N ATOM 0 H LYS A 82 -9.457 10.762 21.047 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.285 10.593 18.243 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.825 10.813 20.808 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.501 11.465 19.328 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.103 9.204 18.237 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.623 8.589 19.807 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.267 9.982 19.676 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.156 8.445 18.842 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.987 8.062 21.095 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.388 7.358 20.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.024 8.849 22.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.467 8.933 22.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.620 10.120 21.923 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.636 13.143 18.111 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.542 14.558 17.911 1.00 0.00 C ATOM 1335 C LEU A 83 -11.728 15.168 18.593 1.00 0.00 C ATOM 1336 O LEU A 83 -12.868 14.963 18.179 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.609 14.872 16.400 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.409 16.337 15.956 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -8.967 16.818 16.181 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.799 16.474 14.472 1.00 0.00 C ATOM 0 H LEU A 83 -11.012 12.642 17.306 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.606 14.950 18.309 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.855 14.265 15.899 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.580 14.541 16.033 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.052 16.970 16.568 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.874 17.854 15.854 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.721 16.748 17.241 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.282 16.194 15.608 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.660 17.507 14.153 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.170 15.820 13.869 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.844 16.192 14.343 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.460 15.931 19.671 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.487 16.590 20.420 1.00 0.00 C ATOM 1354 C HIS A 84 -12.024 17.991 20.617 1.00 0.00 C ATOM 1355 O HIS A 84 -11.257 18.287 21.531 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.722 15.960 21.803 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.402 14.627 21.711 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -14.707 14.509 21.320 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -12.939 13.377 21.945 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -15.029 13.223 21.325 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.974 12.515 21.703 1.00 0.00 N ATOM 0 H HIS A 84 -10.518 16.092 20.027 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.427 16.514 19.874 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.766 15.844 22.314 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.328 16.634 22.409 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -15.327 15.279 21.068 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.942 13.110 22.263 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.995 12.818 21.063 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.495 18.896 19.742 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.106 20.266 19.845 1.00 0.00 C ATOM 1372 C GLY A 85 -12.848 21.001 18.798 1.00 0.00 C ATOM 1373 O GLY A 85 -13.327 22.113 19.019 1.00 0.00 O ATOM 0 H GLY A 85 -13.134 18.684 18.976 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.340 20.661 20.834 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.030 20.374 19.705 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.937 20.366 17.616 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.549 20.962 16.468 1.00 0.00 C ATOM 1379 C GLY A 86 -12.505 21.759 15.770 1.00 0.00 C ATOM 1380 O GLY A 86 -12.760 22.875 15.318 1.00 0.00 O ATOM 0 H GLY A 86 -12.579 19.425 17.454 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.952 20.195 15.807 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.383 21.598 16.765 1.00 0.00 H new ATOM 1384 N SER A 87 -11.297 21.172 15.671 1.00 0.00 N ATOM 1385 CA SER A 87 -10.202 21.730 14.928 1.00 0.00 C ATOM 1386 C SER A 87 -9.936 20.785 13.792 1.00 0.00 C ATOM 1387 O SER A 87 -9.387 19.719 14.062 1.00 0.00 O ATOM 1388 CB SER A 87 -8.911 21.810 15.761 1.00 0.00 C ATOM 1389 OG SER A 87 -9.085 22.708 16.847 1.00 0.00 O ATOM 0 H SER A 87 -11.073 20.284 16.120 1.00 0.00 H new ATOM 0 HA SER A 87 -10.467 22.739 14.612 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.649 20.821 16.136 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.084 22.142 15.133 1.00 0.00 H new ATOM 0 HG SER A 87 -8.259 22.751 17.372 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.258 21.079 12.534 1.00 0.00 N ATOM 1396 CA PRO A 88 -9.953 20.179 11.453 1.00 0.00 C ATOM 1397 C PRO A 88 -8.539 20.416 11.026 1.00 0.00 C ATOM 1398 O PRO A 88 -7.988 19.548 10.355 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.865 20.599 10.299 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.971 21.427 10.951 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.267 22.052 12.154 1.00 0.00 C ATOM 0 HA PRO A 88 -10.088 19.136 11.738 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.320 21.183 9.557 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.274 19.730 9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.361 22.186 10.272 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.814 20.807 11.254 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.816 23.010 11.896 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.966 22.238 12.970 1.00 0.00 H new ATOM 1409 N TRP A 89 -7.969 21.594 11.346 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.713 22.017 10.811 1.00 0.00 C ATOM 1411 C TRP A 89 -5.713 21.984 11.924 1.00 0.00 C ATOM 1412 O TRP A 89 -6.144 21.971 13.076 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.839 23.441 10.244 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.884 23.479 9.158 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.127 24.040 9.178 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.778 22.762 7.916 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.796 23.735 8.017 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.981 22.940 7.238 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.771 21.999 7.394 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.193 22.356 6.020 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.992 21.391 6.178 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.184 21.570 5.500 1.00 0.00 C ATOM 0 H TRP A 89 -8.390 22.264 11.989 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.397 21.360 10.001 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.107 24.135 11.041 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.878 23.768 9.846 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.526 24.635 9.986 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.737 24.044 7.772 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.834 21.877 7.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.118 22.504 5.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.224 20.766 5.748 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.328 21.086 4.546 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.410 21.966 11.648 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.402 21.824 12.666 1.00 0.00 C ATOM 1435 C PRO A 90 -3.303 23.130 13.422 1.00 0.00 C ATOM 1436 O PRO A 90 -3.430 24.161 12.762 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.090 21.571 11.909 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.390 21.877 10.439 1.00 0.00 C ATOM 1439 CD PRO A 90 -3.889 21.630 10.336 1.00 0.00 C ATOM 0 HA PRO A 90 -3.623 21.022 13.370 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.292 22.210 12.286 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.759 20.540 12.034 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.132 22.904 10.180 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.827 21.228 9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.340 22.249 9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.102 20.592 10.079 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.057 23.186 14.725 1.00 0.00 N ATOM 1448 CA PRO A 91 -2.889 22.056 15.596 1.00 0.00 C ATOM 1449 C PRO A 91 -4.233 21.553 15.991 1.00 0.00 C ATOM 1450 O PRO A 91 -5.238 22.250 15.849 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.206 22.581 16.850 1.00 0.00 C ATOM 1452 CG PRO A 91 -1.603 23.917 16.430 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.528 24.399 15.313 1.00 0.00 C ATOM 0 HA PRO A 91 -2.318 21.263 15.113 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.918 22.707 17.666 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.438 21.892 17.201 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.577 24.623 17.260 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.578 23.800 16.078 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.326 25.030 15.704 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.985 24.992 14.577 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.225 20.320 16.508 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.419 19.588 16.798 1.00 0.00 C ATOM 1463 C CYS A 92 -5.567 19.530 18.276 1.00 0.00 C ATOM 1464 O CYS A 92 -4.592 19.680 19.011 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.328 18.130 16.342 1.00 0.00 C ATOM 1466 SG CYS A 92 -4.771 17.972 14.625 1.00 0.00 S ATOM 0 H CYS A 92 -3.368 19.814 16.732 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.243 20.086 16.286 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.641 17.591 16.994 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.305 17.658 16.448 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.808 19.274 18.728 1.00 0.00 N ATOM 1472 CA GLN A 93 -7.086 19.032 20.112 1.00 0.00 C ATOM 1473 C GLN A 93 -7.537 17.615 20.195 1.00 0.00 C ATOM 1474 O GLN A 93 -8.695 17.309 19.923 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.219 19.913 20.659 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.862 21.401 20.694 1.00 0.00 C ATOM 1477 CD GLN A 93 -9.099 22.164 21.162 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -9.582 21.974 22.285 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -9.620 23.046 20.256 1.00 0.00 N ATOM 0 H GLN A 93 -7.630 19.234 18.126 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.193 19.252 20.697 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.108 19.774 20.044 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.473 19.583 21.666 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.025 21.578 21.370 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.552 21.743 19.707 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.178 23.161 19.344 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.450 23.589 20.492 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.612 16.714 20.574 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.928 15.325 20.735 1.00 0.00 C ATOM 1490 C TYR A 94 -7.173 15.080 22.177 1.00 0.00 C ATOM 1491 O TYR A 94 -6.335 15.412 23.013 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.774 14.389 20.353 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.702 14.372 18.875 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.720 13.762 18.174 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.655 14.956 18.193 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.720 13.758 16.799 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.657 14.954 16.812 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.686 14.360 16.118 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.640 14.326 14.715 1.00 0.00 O ATOM 0 H TYR A 94 -5.639 16.948 20.770 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.782 15.120 20.089 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.835 14.740 20.781 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.946 13.386 20.742 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.526 13.282 18.710 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.840 15.412 18.735 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.526 13.286 16.257 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.846 15.422 16.273 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.342 13.730 14.379 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.327 14.454 22.477 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.601 13.970 23.797 1.00 0.00 C ATOM 1511 C ARG A 95 -8.340 12.504 23.731 1.00 0.00 C ATOM 1512 O ARG A 95 -8.962 11.785 22.949 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.052 14.225 24.264 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.403 13.674 25.660 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.502 14.193 26.786 1.00 0.00 C ATOM 1516 NE ARG A 95 -9.893 13.488 28.040 1.00 0.00 N ATOM 1517 CZ ARG A 95 -9.043 13.424 29.107 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -7.827 14.041 29.065 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -9.415 12.737 30.227 1.00 0.00 N ATOM 0 H ARG A 95 -9.073 14.282 21.803 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.977 14.494 24.521 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.234 15.300 24.260 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.733 13.784 23.536 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.437 13.931 25.890 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.343 12.586 25.634 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.453 14.007 26.553 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.616 15.271 26.901 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.810 13.046 28.102 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.545 14.556 28.231 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.200 13.987 29.867 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.324 12.275 30.264 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.784 12.686 31.027 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.398 12.041 24.577 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.059 10.655 24.657 1.00 0.00 C ATOM 1535 C ALA A 96 -8.042 9.965 25.538 1.00 0.00 C ATOM 1536 O ALA A 96 -8.334 10.425 26.641 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.698 10.424 25.318 1.00 0.00 C ATOM 0 H ALA A 96 -6.867 12.637 25.212 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.051 10.279 23.634 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.488 9.355 25.354 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.923 10.927 24.740 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.713 10.825 26.331 1.00 0.00 H new ATOM 1543 N THR A 97 -8.548 8.815 25.052 1.00 0.00 N ATOM 1544 CA THR A 97 -9.367 7.934 25.827 1.00 0.00 C ATOM 1545 C THR A 97 -8.551 6.689 25.915 1.00 0.00 C ATOM 1546 O THR A 97 -8.429 5.955 24.937 1.00 0.00 O ATOM 1547 CB THR A 97 -10.700 7.647 25.179 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.358 8.875 24.905 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.584 6.801 26.116 1.00 0.00 C ATOM 0 H THR A 97 -8.384 8.491 24.099 1.00 0.00 H new ATOM 0 HA THR A 97 -9.618 8.368 26.795 1.00 0.00 H new ATOM 0 HB THR A 97 -10.531 7.093 24.255 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.224 8.695 24.482 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.541 6.603 25.633 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.085 5.856 26.332 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.752 7.344 27.046 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.958 6.444 27.101 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.106 5.309 27.311 1.00 0.00 C ATOM 1559 C ALA A 98 -7.958 4.095 27.473 1.00 0.00 C ATOM 1560 O ALA A 98 -8.853 4.063 28.316 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.246 5.438 28.575 1.00 0.00 C ATOM 0 H ALA A 98 -8.070 7.038 27.922 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.443 5.242 26.449 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.622 4.551 28.683 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.611 6.320 28.495 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.893 5.535 29.447 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.683 3.065 26.646 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.426 1.842 26.680 1.00 0.00 C ATOM 1569 C GLY A 99 -7.413 0.755 26.641 1.00 0.00 C ATOM 1570 O GLY A 99 -6.216 1.012 26.547 1.00 0.00 O ATOM 0 H GLY A 99 -6.939 3.082 25.949 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.034 1.778 27.582 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.107 1.774 25.831 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.882 -0.500 26.706 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.999 -1.624 26.700 1.00 0.00 C ATOM 1576 C PHE A 100 -7.887 -2.740 26.257 1.00 0.00 C ATOM 1577 O PHE A 100 -8.796 -3.134 26.988 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.411 -1.896 28.111 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.587 -3.137 28.154 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.259 -3.110 27.773 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -6.122 -4.320 28.636 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.511 -4.270 27.793 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.365 -5.473 28.681 1.00 0.00 C ATOM 1584 CZ PHE A 100 -4.057 -5.450 28.246 1.00 0.00 C ATOM 0 H PHE A 100 -8.872 -0.739 26.763 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.130 -1.482 26.058 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.800 -1.047 28.417 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.225 -1.979 28.831 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.806 -2.181 27.459 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.145 -4.340 28.981 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.487 -4.252 27.450 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.796 -6.390 29.056 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.464 -6.352 28.260 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.660 -3.267 25.033 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.517 -4.302 24.527 1.00 0.00 C ATOM 1596 C ARG A 101 -7.816 -5.011 23.417 1.00 0.00 C ATOM 1597 O ARG A 101 -6.769 -4.574 22.940 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.889 -3.819 23.988 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.831 -2.759 22.873 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.119 -2.712 22.037 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.296 -2.392 22.892 1.00 0.00 N ATOM 1602 CZ ARG A 101 -12.614 -1.114 23.257 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -11.834 -0.059 22.884 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -13.737 -0.890 24.002 1.00 0.00 N ATOM 0 H ARG A 101 -6.904 -2.985 24.409 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.728 -4.946 25.381 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.437 -4.684 23.614 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.464 -3.413 24.821 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.654 -1.779 23.317 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.985 -2.970 22.219 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.020 -1.963 21.252 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.273 -3.672 21.544 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.888 -3.156 23.218 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -10.997 -0.217 22.323 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.088 0.888 23.166 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.329 -1.673 24.280 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.984 0.060 24.280 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.430 -6.126 22.975 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.009 -6.873 21.830 1.00 0.00 C ATOM 1620 C ASN A 102 -8.387 -6.117 20.593 1.00 0.00 C ATOM 1621 O ASN A 102 -9.498 -5.603 20.468 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.605 -8.295 21.783 1.00 0.00 C ATOM 1623 CG ASN A 102 -9.980 -8.358 22.455 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.087 -8.529 23.676 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.053 -8.261 21.615 1.00 0.00 N ATOM 0 H ASN A 102 -9.251 -6.521 23.434 1.00 0.00 H new ATOM 0 HA ASN A 102 -6.928 -6.995 21.895 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.692 -8.618 20.746 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -7.926 -8.990 22.278 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.000 -8.330 21.987 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.907 -8.120 20.615 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.415 -6.026 19.659 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.508 -5.163 18.514 1.00 0.00 C ATOM 1634 C VAL A 103 -7.855 -5.994 17.324 1.00 0.00 C ATOM 1635 O VAL A 103 -7.470 -7.159 17.240 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.231 -4.388 18.227 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.906 -3.527 19.462 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.059 -5.323 17.865 1.00 0.00 C ATOM 0 H VAL A 103 -6.548 -6.562 19.700 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.277 -4.421 18.731 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.382 -3.748 17.358 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.993 -2.961 19.281 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.729 -2.838 19.652 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.766 -4.173 20.329 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.167 -4.729 17.668 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.866 -6.003 18.695 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.315 -5.900 16.976 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.580 -5.391 16.362 1.00 0.00 N ATOM 1649 CA VAL A 104 -8.837 -6.028 15.103 1.00 0.00 C ATOM 1650 C VAL A 104 -7.826 -5.471 14.158 1.00 0.00 C ATOM 1651 O VAL A 104 -7.768 -4.260 13.949 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.224 -5.752 14.560 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.394 -6.350 13.151 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.260 -6.371 15.509 1.00 0.00 C ATOM 0 H VAL A 104 -8.989 -4.461 16.455 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.774 -7.109 15.226 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.368 -4.674 14.492 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.398 -6.138 12.784 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.661 -5.907 12.477 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.244 -7.429 13.193 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.263 -6.179 15.128 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.097 -7.447 15.574 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.157 -5.928 16.499 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.019 -6.369 13.553 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.178 -6.019 12.440 1.00 0.00 C ATOM 1666 C VAL A 105 -6.625 -6.908 11.320 1.00 0.00 C ATOM 1667 O VAL A 105 -6.897 -8.089 11.530 1.00 0.00 O ATOM 1668 CB VAL A 105 -4.683 -6.157 12.675 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.284 -5.187 13.799 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.248 -7.595 13.010 1.00 0.00 C ATOM 0 H VAL A 105 -6.948 -7.346 13.837 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.293 -4.955 12.232 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.167 -5.909 11.747 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.213 -5.268 13.986 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.524 -4.166 13.501 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.831 -5.438 14.708 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.170 -7.622 13.166 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.754 -7.926 13.917 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.512 -8.257 12.185 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.711 -6.355 10.094 1.00 0.00 N ATOM 1681 CA ALA A 106 -6.963 -7.152 8.929 1.00 0.00 C ATOM 1682 C ALA A 106 -5.626 -7.533 8.403 1.00 0.00 C ATOM 1683 O ALA A 106 -4.753 -6.672 8.279 1.00 0.00 O ATOM 1684 CB ALA A 106 -7.683 -6.405 7.802 1.00 0.00 C ATOM 0 H ALA A 106 -6.606 -5.357 9.909 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.603 -7.984 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.835 -7.078 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.649 -6.049 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.078 -5.556 7.484 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.467 -8.843 8.098 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.226 -9.417 7.664 1.00 0.00 C ATOM 1692 C CYS A 107 -4.271 -9.673 6.193 1.00 0.00 C ATOM 1693 O CYS A 107 -5.229 -10.250 5.680 1.00 0.00 O ATOM 1694 CB CYS A 107 -3.937 -10.781 8.331 1.00 0.00 C ATOM 1695 SG CYS A 107 -2.428 -11.577 7.726 1.00 0.00 S ATOM 0 H CYS A 107 -6.227 -9.520 8.156 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.451 -8.701 7.938 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -3.856 -10.639 9.409 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.783 -11.447 8.159 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.186 -9.276 5.496 1.00 0.00 N ATOM 1701 CA GLU A 108 -2.912 -9.727 4.165 1.00 0.00 C ATOM 1702 C GLU A 108 -1.470 -10.124 4.203 1.00 0.00 C ATOM 1703 O GLU A 108 -0.662 -9.461 4.847 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.123 -8.622 3.107 1.00 0.00 C ATOM 1705 CG GLU A 108 -2.964 -9.062 1.642 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.966 -10.169 1.338 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -5.192 -9.914 1.470 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -3.515 -11.286 0.969 1.00 0.00 O ATOM 0 H GLU A 108 -2.488 -8.630 5.865 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.584 -10.536 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.123 -8.207 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.416 -7.816 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.127 -8.215 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.948 -9.416 1.465 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.123 -11.229 3.505 1.00 0.00 N ATOM 1716 CA ASN A 109 0.215 -11.737 3.272 1.00 0.00 C ATOM 1717 C ASN A 109 0.965 -12.237 4.481 1.00 0.00 C ATOM 1718 O ASN A 109 2.185 -12.392 4.427 1.00 0.00 O ATOM 1719 CB ASN A 109 1.146 -10.867 2.370 1.00 0.00 C ATOM 1720 CG ASN A 109 1.700 -9.558 2.968 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.674 -9.557 3.729 1.00 0.00 O ATOM 1722 ND2 ASN A 109 1.088 -8.410 2.548 1.00 0.00 N ATOM 0 H ASN A 109 -1.831 -11.818 3.067 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.046 -12.617 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.993 -11.483 2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.596 -10.616 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.433 -7.503 2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.286 -8.460 1.919 1.00 0.00 H new ATOM 1729 N GLY A 110 0.261 -12.526 5.597 1.00 0.00 N ATOM 1730 CA GLY A 110 0.899 -13.003 6.794 1.00 0.00 C ATOM 1731 C GLY A 110 1.388 -11.836 7.591 1.00 0.00 C ATOM 1732 O GLY A 110 2.307 -11.971 8.398 1.00 0.00 O ATOM 0 H GLY A 110 -0.752 -12.429 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.197 -13.593 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.731 -13.659 6.540 1.00 0.00 H new ATOM 1736 N LEU A 111 0.777 -10.655 7.370 1.00 0.00 N ATOM 1737 CA LEU A 111 1.207 -9.449 8.019 1.00 0.00 C ATOM 1738 C LEU A 111 -0.070 -8.737 8.271 1.00 0.00 C ATOM 1739 O LEU A 111 -0.974 -8.889 7.461 1.00 0.00 O ATOM 1740 CB LEU A 111 1.954 -8.551 7.022 1.00 0.00 C ATOM 1741 CG LEU A 111 3.116 -7.666 7.495 1.00 0.00 C ATOM 1742 CD1 LEU A 111 4.037 -8.196 8.592 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.953 -7.240 6.276 1.00 0.00 C ATOM 0 H LEU A 111 -0.017 -10.534 6.741 1.00 0.00 H new ATOM 0 HA LEU A 111 1.834 -9.658 8.886 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.341 -9.197 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.215 -7.895 6.563 1.00 0.00 H new ATOM 0 HG LEU A 111 2.614 -6.833 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.805 -7.454 8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.455 -8.394 9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.510 -9.119 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.780 -6.611 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.346 -8.126 5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.326 -6.681 5.581 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.224 -7.938 9.288 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.313 -7.005 9.358 1.00 0.00 C ATOM 1757 C PRO A 112 -1.098 -5.977 8.283 1.00 0.00 C ATOM 1758 O PRO A 112 0.040 -5.682 7.938 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.179 -6.420 10.756 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.642 -7.602 11.560 1.00 0.00 C ATOM 1761 CD PRO A 112 0.340 -8.237 10.584 1.00 0.00 C ATOM 0 HA PRO A 112 -2.307 -7.425 9.203 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.495 -5.571 10.777 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.136 -6.068 11.142 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.152 -7.280 12.479 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.435 -8.293 11.847 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.340 -7.817 10.692 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.426 -9.312 10.745 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.181 -5.446 7.700 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.057 -4.397 6.730 1.00 0.00 C ATOM 1771 C VAL A 113 -2.989 -3.291 7.102 1.00 0.00 C ATOM 1772 O VAL A 113 -2.822 -2.168 6.630 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.319 -4.814 5.290 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.128 -5.658 4.794 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.661 -5.561 5.146 1.00 0.00 C ATOM 0 H VAL A 113 -3.139 -5.736 7.894 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.013 -4.084 6.755 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.407 -3.924 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.303 -5.964 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.215 -5.065 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.023 -6.543 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.811 -5.842 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.646 -6.458 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.475 -4.912 5.468 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.014 -3.575 7.935 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.090 -2.635 8.071 1.00 0.00 C ATOM 1787 C HIS A 114 -5.669 -2.933 9.410 1.00 0.00 C ATOM 1788 O HIS A 114 -5.169 -3.816 10.103 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.115 -2.827 6.926 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.487 -2.239 7.094 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -7.782 -0.942 6.777 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -8.633 -2.815 7.535 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.072 -0.738 7.012 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -9.610 -1.860 7.472 1.00 0.00 N ATOM 0 H HIS A 114 -4.098 -4.423 8.495 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.770 -1.595 8.002 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -5.682 -2.407 6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.230 -3.898 6.759 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.752 -3.834 7.872 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.599 0.191 6.854 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.587 -1.989 7.734 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.704 -2.170 9.824 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.254 -2.278 11.139 1.00 0.00 C ATOM 1805 C LEU A 115 -8.635 -1.710 11.111 1.00 0.00 C ATOM 1806 O LEU A 115 -8.916 -0.764 10.377 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.282 -1.569 12.100 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.736 -0.597 13.206 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -5.833 -0.546 14.455 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.942 0.825 12.673 1.00 0.00 C ATOM 0 H LEU A 115 -7.161 -1.472 9.237 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.356 -3.304 11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.714 -2.355 12.597 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.581 -1.016 11.475 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.687 -1.018 13.532 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.242 0.168 15.170 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.789 -1.534 14.913 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.829 -0.235 14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.262 1.476 13.487 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.006 1.197 12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.706 0.815 11.895 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.524 -2.303 11.935 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.891 -1.881 12.049 1.00 0.00 C ATOM 1824 C ASP A 116 -10.973 -0.946 13.219 1.00 0.00 C ATOM 1825 O ASP A 116 -10.314 -1.148 14.238 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.832 -3.079 12.264 1.00 0.00 C ATOM 1827 CG ASP A 116 -13.285 -2.638 12.218 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -13.707 -2.058 11.182 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.998 -2.892 13.224 1.00 0.00 O ATOM 0 H ASP A 116 -9.288 -3.093 12.535 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.205 -1.389 11.128 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.651 -3.832 11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.619 -3.546 13.225 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.791 0.118 13.067 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.859 1.225 13.982 1.00 0.00 C ATOM 1836 C GLN A 117 -13.222 1.280 14.626 1.00 0.00 C ATOM 1837 O GLN A 117 -13.613 2.331 15.129 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.639 2.553 13.213 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.159 2.890 12.945 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.465 3.503 14.172 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.247 3.721 14.156 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -10.258 3.796 15.244 1.00 0.00 N ATOM 0 H GLN A 117 -12.429 0.211 12.277 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.089 1.092 14.742 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.166 2.500 12.260 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.088 3.368 13.781 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.631 1.984 12.648 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.094 3.586 12.109 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.258 3.597 15.208 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.851 4.214 16.081 1.00 0.00 H new ATOM 1851 N SER A 118 -13.989 0.160 14.637 1.00 0.00 N ATOM 1852 CA SER A 118 -15.372 0.205 15.052 1.00 0.00 C ATOM 1853 C SER A 118 -15.482 -0.155 16.497 1.00 0.00 C ATOM 1854 O SER A 118 -16.469 0.171 17.155 1.00 0.00 O ATOM 1855 CB SER A 118 -16.282 -0.767 14.286 1.00 0.00 C ATOM 1856 OG SER A 118 -16.209 -0.510 12.892 1.00 0.00 O ATOM 0 H SER A 118 -13.657 -0.765 14.363 1.00 0.00 H new ATOM 0 HA SER A 118 -15.700 1.224 14.847 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.982 -1.795 14.490 1.00 0.00 H new ATOM 0 HB3 SER A 118 -17.311 -0.661 14.630 1.00 0.00 H new ATOM 0 HG SER A 118 -16.791 -1.136 12.413 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.445 -0.847 17.008 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.329 -1.236 18.384 1.00 0.00 C ATOM 1864 C ILE A 119 -13.952 -0.090 19.227 1.00 0.00 C ATOM 1865 O ILE A 119 -14.317 -0.008 20.398 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.236 -2.229 18.677 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.071 -2.311 17.662 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.903 -3.557 18.978 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -12.321 -3.103 16.377 1.00 0.00 C ATOM 0 H ILE A 119 -13.654 -1.148 16.439 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.311 -1.661 18.593 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.685 -1.870 19.546 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.792 -1.295 17.384 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.211 -2.750 18.168 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.141 -4.306 19.196 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.561 -3.447 19.840 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.487 -3.875 18.114 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.426 -3.080 15.756 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.563 -4.136 16.627 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.153 -2.658 15.831 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.156 0.805 18.628 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.511 1.850 19.337 1.00 0.00 C ATOM 1883 C PHE A 120 -13.391 3.048 19.253 1.00 0.00 C ATOM 1884 O PHE A 120 -13.145 4.053 19.919 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.169 2.178 18.679 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.330 0.946 18.460 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.203 -0.093 19.375 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.632 0.849 17.274 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.310 -1.124 19.147 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.782 -0.203 17.020 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.595 -1.181 17.970 1.00 0.00 C ATOM 0 H PHE A 120 -12.958 0.800 17.627 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.334 1.554 20.371 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.345 2.671 17.723 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.621 2.883 19.305 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.806 -0.095 20.271 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.756 1.618 16.526 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.172 -1.890 19.896 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.262 -0.261 16.075 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.895 -1.985 17.795 1.00 0.00 H new