USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1000 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 80 THR OG1 : rot -150:sc= 0 USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 86 SER OG : rot 97:sc= 0.853 USER MOD Set 2.1: A 75 GLN : amide:sc= -1.96! K(o=-2!,f=-0.32) USER MOD Set 2.2: A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -170:sc= 0 (180deg=-0.0731) USER MOD Single : A 1 ASN : amide:sc= -9.58! C(o=-9.6!,f=-5.1!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 42:sc= 0.319 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc=-0.00883 (180deg=-0.116) USER MOD Single : A 25 THR OG1 : rot -91:sc= 0.0629 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -39:sc= 0.171 USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= -0.0155 (180deg=-0.185) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.65 USER MOD Single : A 37 TYR OH : rot 33:sc= 0.143 USER MOD Single : A 40 SER OG : rot 2:sc= -1.7! USER MOD Single : A 41 HIS : no HD1:sc= -0.997 K(o=-1,f=0.075) USER MOD Single : A 42 SER OG : rot -22:sc= 0.379 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0.089) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 49 ASN : amide:sc= -12! C(o=-12!,f=-12!) USER MOD Single : A 50 SER OG : rot -61:sc= 0.347 USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00392 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 169:sc= 0.895 USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= -5.73! (180deg=-10.2!) USER MOD Single : A 67 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.0074) USER MOD Single : A 73 ASN : amide:sc= -3.29! C(o=-3.3!,f=-1.5!) USER MOD Single : A 79 LYS NZ :NH3+ -125:sc= -2.61! (180deg=-9.08!) USER MOD Single : A 87 GLN : amide:sc= -8.81! K(o=-8.8!,f=-2.5) USER MOD Single : A 91 SER OG : rot 1:sc= 0.504 USER MOD Single : A 101 SER OG : rot -90:sc= 0.884 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -78:sc= 0.919 USER MOD Single : A 109 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.52) USER MOD Single : A 116 SER OG : rot 101:sc= 0.963 USER MOD Single : A 117 HIS : no HD1:sc=-0.00368 X(o=-0.0037,f=-0.0037) USER MOD Single : A 121 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.17) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 128 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.032) USER MOD Single : A 130 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-0.63) USER MOD Single : A 132 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 33.311 -4.548 -1.004 1.00 0.00 N ATOM 2 CA MET A 0 33.228 -3.706 0.217 1.00 0.00 C ATOM 3 C MET A 0 32.249 -2.555 0.021 1.00 0.00 C ATOM 4 O MET A 0 31.382 -2.315 0.863 1.00 0.00 O ATOM 5 CB MET A 0 34.610 -3.152 0.572 1.00 0.00 C ATOM 6 CG MET A 0 35.589 -4.216 1.043 1.00 0.00 C ATOM 7 SD MET A 0 35.067 -5.002 2.581 1.00 0.00 S ATOM 8 CE MET A 0 36.413 -6.156 2.845 1.00 0.00 C ATOM 0 H1 MET A 0 33.848 -5.414 -0.793 1.00 0.00 H new ATOM 0 H2 MET A 0 32.352 -4.802 -1.316 1.00 0.00 H new ATOM 0 H3 MET A 0 33.792 -4.018 -1.759 1.00 0.00 H new ATOM 0 HA MET A 0 32.869 -4.332 1.034 1.00 0.00 H new ATOM 0 HB2 MET A 0 35.026 -2.648 -0.301 1.00 0.00 H new ATOM 0 HB3 MET A 0 34.501 -2.399 1.353 1.00 0.00 H new ATOM 0 HG2 MET A 0 35.696 -4.975 0.268 1.00 0.00 H new ATOM 0 HG3 MET A 0 36.571 -3.765 1.184 1.00 0.00 H new ATOM 0 HE1 MET A 0 36.235 -6.719 3.761 1.00 0.00 H new ATOM 0 HE2 MET A 0 36.473 -6.844 2.002 1.00 0.00 H new ATOM 0 HE3 MET A 0 37.351 -5.607 2.932 1.00 0.00 H new ATOM 20 N ASN A 1 32.391 -1.845 -1.093 1.00 0.00 N ATOM 21 CA ASN A 1 31.517 -0.718 -1.396 1.00 0.00 C ATOM 22 C ASN A 1 30.454 -1.105 -2.417 1.00 0.00 C ATOM 23 O ASN A 1 30.699 -1.921 -3.306 1.00 0.00 O ATOM 24 CB ASN A 1 32.336 0.467 -1.910 1.00 0.00 C ATOM 25 CG ASN A 1 32.424 1.588 -0.894 1.00 0.00 C ATOM 26 OD1 ASN A 1 33.433 2.287 -0.807 1.00 0.00 O ATOM 27 ND2 ASN A 1 31.357 1.767 -0.123 1.00 0.00 N ATOM 0 H ASN A 1 33.102 -2.030 -1.800 1.00 0.00 H new ATOM 0 HA ASN A 1 31.012 -0.427 -0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 1 33.341 0.129 -2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.887 0.846 -2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 1 31.352 2.509 0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 1 30.543 1.163 -0.231 1.00 0.00 H new ATOM 34 N CYS A 2 29.273 -0.512 -2.281 1.00 0.00 N ATOM 35 CA CYS A 2 28.165 -0.792 -3.187 1.00 0.00 C ATOM 36 C CYS A 2 27.964 0.344 -4.182 1.00 0.00 C ATOM 37 O CYS A 2 28.504 1.437 -4.008 1.00 0.00 O ATOM 38 CB CYS A 2 26.876 -1.023 -2.396 1.00 0.00 C ATOM 39 SG CYS A 2 26.742 -2.682 -1.656 1.00 0.00 S ATOM 0 H CYS A 2 29.058 0.167 -1.551 1.00 0.00 H new ATOM 0 HA CYS A 2 28.412 -1.696 -3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.811 -0.277 -1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.024 -0.862 -3.056 1.00 0.00 H new ATOM 44 N GLY A 3 27.182 0.080 -5.223 1.00 0.00 N ATOM 45 CA GLY A 3 26.899 1.105 -6.210 1.00 0.00 C ATOM 46 C GLY A 3 25.911 2.129 -5.678 1.00 0.00 C ATOM 47 O GLY A 3 25.297 1.903 -4.639 1.00 0.00 O ATOM 0 H GLY A 3 26.740 -0.822 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.825 1.604 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.497 0.643 -7.111 1.00 0.00 H new ATOM 51 N PRO A 4 25.741 3.273 -6.363 1.00 0.00 N ATOM 52 CA PRO A 4 24.808 4.321 -5.928 1.00 0.00 C ATOM 53 C PRO A 4 23.422 3.762 -5.598 1.00 0.00 C ATOM 54 O PRO A 4 22.901 2.916 -6.324 1.00 0.00 O ATOM 55 CB PRO A 4 24.747 5.253 -7.139 1.00 0.00 C ATOM 56 CG PRO A 4 26.078 5.089 -7.789 1.00 0.00 C ATOM 57 CD PRO A 4 26.442 3.641 -7.609 1.00 0.00 C ATOM 0 HA PRO A 4 25.134 4.814 -5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.937 4.977 -7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.574 6.286 -6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.033 5.353 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.821 5.740 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.111 3.034 -8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.520 3.504 -7.521 1.00 0.00 H new ATOM 65 N PRO A 5 22.809 4.232 -4.492 1.00 0.00 N ATOM 66 CA PRO A 5 21.486 3.766 -4.057 1.00 0.00 C ATOM 67 C PRO A 5 20.432 3.832 -5.160 1.00 0.00 C ATOM 68 O PRO A 5 20.011 4.917 -5.564 1.00 0.00 O ATOM 69 CB PRO A 5 21.127 4.726 -2.921 1.00 0.00 C ATOM 70 CG PRO A 5 22.439 5.176 -2.386 1.00 0.00 C ATOM 71 CD PRO A 5 23.356 5.252 -3.575 1.00 0.00 C ATOM 0 HA PRO A 5 21.511 2.716 -3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.537 5.567 -3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.535 4.229 -2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.351 6.146 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.820 4.477 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.348 6.244 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.388 5.035 -3.301 1.00 0.00 H new ATOM 79 N PRO A 6 19.995 2.664 -5.661 1.00 0.00 N ATOM 80 CA PRO A 6 18.972 2.582 -6.710 1.00 0.00 C ATOM 81 C PRO A 6 17.650 3.173 -6.249 1.00 0.00 C ATOM 82 O PRO A 6 17.514 3.700 -5.145 1.00 0.00 O ATOM 83 CB PRO A 6 18.804 1.076 -6.945 1.00 0.00 C ATOM 84 CG PRO A 6 19.388 0.417 -5.744 1.00 0.00 C ATOM 85 CD PRO A 6 20.469 1.332 -5.252 1.00 0.00 C ATOM 0 HA PRO A 6 19.263 3.136 -7.602 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.753 0.813 -7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.317 0.761 -7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.629 0.262 -4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.792 -0.564 -5.995 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.594 1.263 -4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.434 1.093 -5.700 1.00 0.00 H new ATOM 93 N THR A 7 16.680 3.058 -7.151 1.00 0.00 N ATOM 94 CA THR A 7 15.332 3.545 -6.914 1.00 0.00 C ATOM 95 C THR A 7 14.451 2.391 -6.464 1.00 0.00 C ATOM 96 O THR A 7 14.446 1.331 -7.089 1.00 0.00 O ATOM 97 CB THR A 7 14.731 4.182 -8.183 1.00 0.00 C ATOM 98 OG1 THR A 7 15.493 5.335 -8.562 1.00 0.00 O ATOM 99 CG2 THR A 7 13.279 4.580 -7.960 1.00 0.00 C ATOM 0 H THR A 7 16.810 2.624 -8.065 1.00 0.00 H new ATOM 0 HA THR A 7 15.379 4.310 -6.139 1.00 0.00 H new ATOM 0 HB THR A 7 14.768 3.442 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.105 5.732 -9.370 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.880 5.027 -8.871 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.695 3.696 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.221 5.303 -7.146 1.00 0.00 H new ATOM 107 N LEU A 8 13.707 2.589 -5.386 1.00 0.00 N ATOM 108 CA LEU A 8 12.834 1.541 -4.884 1.00 0.00 C ATOM 109 C LEU A 8 11.374 1.895 -5.109 1.00 0.00 C ATOM 110 O LEU A 8 10.856 2.827 -4.500 1.00 0.00 O ATOM 111 CB LEU A 8 13.082 1.304 -3.393 1.00 0.00 C ATOM 112 CG LEU A 8 14.551 1.146 -2.994 1.00 0.00 C ATOM 113 CD1 LEU A 8 14.661 0.691 -1.546 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.262 0.170 -3.918 1.00 0.00 C ATOM 0 H LEU A 8 13.690 3.455 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 8 13.061 0.628 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.658 2.138 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.541 0.408 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 8 15.038 2.117 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.712 0.583 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.194 1.431 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.156 -0.267 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.304 0.075 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.777 -0.804 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.215 0.539 -4.943 1.00 0.00 H new ATOM 126 N SER A 9 10.710 1.159 -5.993 1.00 0.00 N ATOM 127 CA SER A 9 9.302 1.402 -6.266 1.00 0.00 C ATOM 128 C SER A 9 8.455 0.892 -5.111 1.00 0.00 C ATOM 129 O SER A 9 7.230 1.012 -5.121 1.00 0.00 O ATOM 130 CB SER A 9 8.880 0.722 -7.570 1.00 0.00 C ATOM 131 OG SER A 9 9.625 1.217 -8.669 1.00 0.00 O ATOM 0 H SER A 9 11.122 0.395 -6.528 1.00 0.00 H new ATOM 0 HA SER A 9 9.149 2.476 -6.374 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.024 -0.355 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.817 0.889 -7.743 1.00 0.00 H new ATOM 0 HG SER A 9 9.337 0.765 -9.490 1.00 0.00 H new ATOM 137 N PHE A 10 9.126 0.312 -4.121 1.00 0.00 N ATOM 138 CA PHE A 10 8.461 -0.213 -2.939 1.00 0.00 C ATOM 139 C PHE A 10 8.725 0.696 -1.744 1.00 0.00 C ATOM 140 O PHE A 10 8.154 0.514 -0.668 1.00 0.00 O ATOM 141 CB PHE A 10 8.930 -1.641 -2.644 1.00 0.00 C ATOM 142 CG PHE A 10 10.365 -1.901 -3.002 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.726 -2.173 -4.312 1.00 0.00 C ATOM 144 CD2 PHE A 10 11.351 -1.879 -2.029 1.00 0.00 C ATOM 145 CE1 PHE A 10 12.044 -2.418 -4.646 1.00 0.00 C ATOM 146 CE2 PHE A 10 12.671 -2.123 -2.357 1.00 0.00 C ATOM 147 CZ PHE A 10 13.017 -2.392 -3.666 1.00 0.00 C ATOM 0 H PHE A 10 10.139 0.194 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 10 7.388 -0.242 -3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.788 -1.847 -1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.298 -2.340 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.968 -2.194 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.085 -1.669 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.313 -2.629 -5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.431 -2.103 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 10 14.048 -2.582 -3.924 1.00 0.00 H new ATOM 157 N ALA A 11 9.605 1.672 -1.945 1.00 0.00 N ATOM 158 CA ALA A 11 9.943 2.634 -0.906 1.00 0.00 C ATOM 159 C ALA A 11 10.353 3.966 -1.522 1.00 0.00 C ATOM 160 O ALA A 11 10.083 4.255 -2.686 1.00 0.00 O ATOM 161 CB ALA A 11 11.062 2.085 -0.033 1.00 0.00 C ATOM 0 H ALA A 11 10.099 1.816 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 11 9.063 2.802 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.309 2.811 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.737 1.154 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.943 1.896 -0.647 1.00 0.00 H new ATOM 167 N ALA A 12 10.998 4.776 -0.689 1.00 0.00 N ATOM 168 CA ALA A 12 11.451 6.094 -1.112 1.00 0.00 C ATOM 169 C ALA A 12 12.537 6.619 -0.171 1.00 0.00 C ATOM 170 O ALA A 12 12.683 6.125 0.947 1.00 0.00 O ATOM 171 CB ALA A 12 10.287 7.069 -1.181 1.00 0.00 C ATOM 0 H ALA A 12 11.218 4.543 0.279 1.00 0.00 H new ATOM 0 HA ALA A 12 11.877 6.001 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.650 8.047 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.550 6.705 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.826 7.156 -0.197 1.00 0.00 H new ATOM 177 N PRO A 13 13.306 7.635 -0.602 1.00 0.00 N ATOM 178 CA PRO A 13 14.376 8.208 0.219 1.00 0.00 C ATOM 179 C PRO A 13 13.809 9.056 1.347 1.00 0.00 C ATOM 180 O PRO A 13 12.794 9.731 1.179 1.00 0.00 O ATOM 181 CB PRO A 13 15.163 9.070 -0.769 1.00 0.00 C ATOM 182 CG PRO A 13 14.182 9.438 -1.830 1.00 0.00 C ATOM 183 CD PRO A 13 13.174 8.319 -1.901 1.00 0.00 C ATOM 0 HA PRO A 13 14.989 7.447 0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.569 9.957 -0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.007 8.521 -1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.694 10.383 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.682 9.569 -2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.164 8.701 -2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.385 7.644 -2.730 1.00 0.00 H new ATOM 191 N MET A 14 14.472 9.016 2.500 1.00 0.00 N ATOM 192 CA MET A 14 14.008 9.762 3.660 1.00 0.00 C ATOM 193 C MET A 14 15.159 10.289 4.514 1.00 0.00 C ATOM 194 O MET A 14 14.997 11.260 5.254 1.00 0.00 O ATOM 195 CB MET A 14 13.097 8.870 4.508 1.00 0.00 C ATOM 196 CG MET A 14 12.600 9.532 5.779 1.00 0.00 C ATOM 197 SD MET A 14 11.683 8.401 6.842 1.00 0.00 S ATOM 198 CE MET A 14 11.389 9.446 8.267 1.00 0.00 C ATOM 0 H MET A 14 15.325 8.479 2.653 1.00 0.00 H new ATOM 0 HA MET A 14 13.456 10.628 3.295 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.239 8.568 3.907 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.638 7.961 4.771 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.450 9.933 6.331 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.962 10.376 5.518 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.829 8.888 9.018 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.343 9.764 8.688 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.816 10.322 7.964 1.00 0.00 H new ATOM 208 N ASP A 15 16.321 9.653 4.408 1.00 0.00 N ATOM 209 CA ASP A 15 17.484 10.070 5.186 1.00 0.00 C ATOM 210 C ASP A 15 18.784 9.533 4.592 1.00 0.00 C ATOM 211 O ASP A 15 19.267 8.470 4.986 1.00 0.00 O ATOM 212 CB ASP A 15 17.339 9.600 6.632 1.00 0.00 C ATOM 213 CG ASP A 15 18.457 10.104 7.523 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.528 11.331 7.751 1.00 0.00 O ATOM 215 OD2 ASP A 15 19.263 9.273 7.992 1.00 0.00 O ATOM 0 H ASP A 15 16.483 8.853 3.796 1.00 0.00 H new ATOM 0 HA ASP A 15 17.530 11.159 5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.382 9.942 7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.323 8.510 6.656 1.00 0.00 H new ATOM 220 N ILE A 16 19.340 10.278 3.640 1.00 0.00 N ATOM 221 CA ILE A 16 20.579 9.905 2.988 1.00 0.00 C ATOM 222 C ILE A 16 20.970 10.928 1.936 1.00 0.00 C ATOM 223 O ILE A 16 20.411 10.947 0.840 1.00 0.00 O ATOM 224 CB ILE A 16 20.471 8.530 2.317 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.658 8.282 1.392 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.167 8.402 1.551 1.00 0.00 C ATOM 227 CD1 ILE A 16 22.974 8.115 2.115 1.00 0.00 C ATOM 0 H ILE A 16 18.940 11.154 3.304 1.00 0.00 H new ATOM 0 HA ILE A 16 21.342 9.865 3.765 1.00 0.00 H new ATOM 0 HB ILE A 16 20.483 7.774 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.464 7.388 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.742 9.115 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.114 7.418 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.329 8.524 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.120 9.172 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 16 23.769 7.942 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 16 23.193 9.018 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.911 7.264 2.793 1.00 0.00 H new ATOM 239 N THR A 17 21.911 11.793 2.275 1.00 0.00 N ATOM 240 CA THR A 17 22.378 12.783 1.324 1.00 0.00 C ATOM 241 C THR A 17 22.899 12.078 0.086 1.00 0.00 C ATOM 242 O THR A 17 23.880 11.338 0.151 1.00 0.00 O ATOM 243 CB THR A 17 23.492 13.669 1.904 1.00 0.00 C ATOM 244 OG1 THR A 17 24.506 12.853 2.503 1.00 0.00 O ATOM 245 CG2 THR A 17 22.936 14.640 2.935 1.00 0.00 C ATOM 0 H THR A 17 22.361 11.829 3.190 1.00 0.00 H new ATOM 0 HA THR A 17 21.535 13.428 1.079 1.00 0.00 H new ATOM 0 HB THR A 17 23.927 14.246 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.684 12.079 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.745 15.255 3.329 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.189 15.281 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.475 14.081 3.749 1.00 0.00 H new ATOM 253 N LEU A 18 22.239 12.305 -1.037 1.00 0.00 N ATOM 254 CA LEU A 18 22.626 11.666 -2.276 1.00 0.00 C ATOM 255 C LEU A 18 23.820 12.365 -2.911 1.00 0.00 C ATOM 256 O LEU A 18 23.925 12.457 -4.134 1.00 0.00 O ATOM 257 CB LEU A 18 21.446 11.646 -3.244 1.00 0.00 C ATOM 258 CG LEU A 18 20.631 10.352 -3.239 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.526 9.162 -3.551 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.940 10.162 -1.898 1.00 0.00 C ATOM 0 H LEU A 18 21.434 12.927 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 18 22.922 10.641 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.783 12.477 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.820 11.819 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 18 19.866 10.422 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.932 8.248 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.977 9.294 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.311 9.090 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.365 9.236 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.688 10.112 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.271 11.002 -1.711 1.00 0.00 H new ATOM 272 N THR A 19 24.721 12.847 -2.069 1.00 0.00 N ATOM 273 CA THR A 19 25.915 13.538 -2.533 1.00 0.00 C ATOM 274 C THR A 19 27.088 12.572 -2.627 1.00 0.00 C ATOM 275 O THR A 19 28.124 12.887 -3.213 1.00 0.00 O ATOM 276 CB THR A 19 26.283 14.700 -1.596 1.00 0.00 C ATOM 277 OG1 THR A 19 26.628 14.196 -0.300 1.00 0.00 O ATOM 278 CG2 THR A 19 25.122 15.675 -1.472 1.00 0.00 C ATOM 0 H THR A 19 24.647 12.772 -1.054 1.00 0.00 H new ATOM 0 HA THR A 19 25.699 13.941 -3.522 1.00 0.00 H new ATOM 0 HB THR A 19 27.139 15.225 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.863 14.943 0.290 1.00 0.00 H new ATOM 0 HG21 THR A 19 25.401 16.490 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.878 16.078 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.253 15.156 -1.067 1.00 0.00 H new ATOM 286 N GLU A 20 26.913 11.393 -2.040 1.00 0.00 N ATOM 287 CA GLU A 20 27.946 10.368 -2.056 1.00 0.00 C ATOM 288 C GLU A 20 27.819 9.502 -3.304 1.00 0.00 C ATOM 289 O GLU A 20 27.092 9.843 -4.237 1.00 0.00 O ATOM 290 CB GLU A 20 27.847 9.494 -0.802 1.00 0.00 C ATOM 291 CG GLU A 20 27.936 10.281 0.496 1.00 0.00 C ATOM 292 CD GLU A 20 27.972 9.385 1.719 1.00 0.00 C ATOM 293 OE1 GLU A 20 26.887 8.995 2.201 1.00 0.00 O ATOM 294 OE2 GLU A 20 29.084 9.075 2.196 1.00 0.00 O ATOM 0 H GLU A 20 26.062 11.125 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 20 28.918 10.860 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.903 8.949 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.645 8.752 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.831 10.903 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.082 10.954 0.568 1.00 0.00 H new ATOM 301 N THR A 21 28.534 8.386 -3.315 1.00 0.00 N ATOM 302 CA THR A 21 28.504 7.468 -4.447 1.00 0.00 C ATOM 303 C THR A 21 28.715 6.033 -3.991 1.00 0.00 C ATOM 304 O THR A 21 28.166 5.096 -4.571 1.00 0.00 O ATOM 305 CB THR A 21 29.584 7.817 -5.481 1.00 0.00 C ATOM 306 OG1 THR A 21 30.732 8.371 -4.827 1.00 0.00 O ATOM 307 CG2 THR A 21 29.053 8.798 -6.514 1.00 0.00 C ATOM 0 H THR A 21 29.144 8.093 -2.551 1.00 0.00 H new ATOM 0 HA THR A 21 27.520 7.567 -4.906 1.00 0.00 H new ATOM 0 HB THR A 21 29.871 6.899 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.416 8.589 -5.495 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.838 9.028 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.203 8.355 -7.033 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.737 9.715 -6.016 1.00 0.00 H new ATOM 315 N ARG A 22 29.516 5.872 -2.947 1.00 0.00 N ATOM 316 CA ARG A 22 29.813 4.555 -2.403 1.00 0.00 C ATOM 317 C ARG A 22 29.385 4.480 -0.942 1.00 0.00 C ATOM 318 O ARG A 22 29.379 5.490 -0.237 1.00 0.00 O ATOM 319 CB ARG A 22 31.301 4.254 -2.514 1.00 0.00 C ATOM 320 CG ARG A 22 31.845 4.356 -3.929 1.00 0.00 C ATOM 321 CD ARG A 22 33.341 4.096 -3.964 1.00 0.00 C ATOM 322 NE ARG A 22 34.067 4.979 -3.054 1.00 0.00 N ATOM 323 CZ ARG A 22 35.355 4.841 -2.759 1.00 0.00 C ATOM 324 NH1 ARG A 22 36.062 3.858 -3.303 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.939 5.685 -1.920 1.00 0.00 N ATOM 0 H ARG A 22 29.974 6.641 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 22 29.258 3.814 -2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.850 4.944 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.488 3.249 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.334 3.638 -4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.636 5.348 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.536 3.058 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.711 4.237 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 22 33.555 5.747 -2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.617 3.206 -3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 22 37.051 3.754 -3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.399 6.442 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.928 5.578 -1.695 1.00 0.00 H new ATOM 339 N PHE A 23 29.030 3.283 -0.489 1.00 0.00 N ATOM 340 CA PHE A 23 28.581 3.065 0.885 1.00 0.00 C ATOM 341 C PHE A 23 29.012 1.671 1.338 1.00 0.00 C ATOM 342 O PHE A 23 28.489 0.666 0.856 1.00 0.00 O ATOM 343 CB PHE A 23 27.056 3.203 0.975 1.00 0.00 C ATOM 344 CG PHE A 23 26.498 4.440 0.319 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.500 4.568 -1.060 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.976 5.477 1.080 1.00 0.00 C ATOM 347 CE1 PHE A 23 26.002 5.699 -1.669 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.471 6.612 0.474 1.00 0.00 C ATOM 349 CZ PHE A 23 25.485 6.723 -0.902 1.00 0.00 C ATOM 0 H PHE A 23 29.044 2.438 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 23 29.032 3.814 1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.597 2.327 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.766 3.202 2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.898 3.769 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.964 5.396 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 23 26.016 5.784 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 23 25.066 7.411 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 23 25.092 7.610 -1.377 1.00 0.00 H new ATOM 359 N LYS A 24 29.971 1.620 2.259 1.00 0.00 N ATOM 360 CA LYS A 24 30.505 0.349 2.753 1.00 0.00 C ATOM 361 C LYS A 24 29.414 -0.643 3.138 1.00 0.00 C ATOM 362 O LYS A 24 28.253 -0.274 3.320 1.00 0.00 O ATOM 363 CB LYS A 24 31.427 0.578 3.948 1.00 0.00 C ATOM 364 CG LYS A 24 30.957 1.692 4.871 1.00 0.00 C ATOM 365 CD LYS A 24 31.815 1.785 6.123 1.00 0.00 C ATOM 366 CE LYS A 24 31.333 2.891 7.046 1.00 0.00 C ATOM 367 NZ LYS A 24 31.499 4.239 6.435 1.00 0.00 N ATOM 0 H LYS A 24 30.397 2.445 2.681 1.00 0.00 H new ATOM 0 HA LYS A 24 31.069 -0.085 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.506 -0.347 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.427 0.815 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.986 2.643 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.919 1.517 5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.793 0.832 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.852 1.970 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.283 2.729 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.886 2.847 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.336 4.970 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.464 4.333 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.813 4.357 5.662 1.00 0.00 H new ATOM 381 N THR A 25 29.807 -1.906 3.269 1.00 0.00 N ATOM 382 CA THR A 25 28.879 -2.971 3.613 1.00 0.00 C ATOM 383 C THR A 25 28.358 -2.844 5.036 1.00 0.00 C ATOM 384 O THR A 25 27.539 -3.649 5.480 1.00 0.00 O ATOM 385 CB THR A 25 29.523 -4.349 3.462 1.00 0.00 C ATOM 386 OG1 THR A 25 30.913 -4.287 3.803 1.00 0.00 O ATOM 387 CG2 THR A 25 29.356 -4.896 2.046 1.00 0.00 C ATOM 0 H THR A 25 30.770 -2.216 3.140 1.00 0.00 H new ATOM 0 HA THR A 25 28.047 -2.872 2.916 1.00 0.00 H new ATOM 0 HB THR A 25 29.014 -5.028 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.439 -4.097 2.998 1.00 0.00 H new ATOM 0 HG21 THR A 25 29.826 -5.877 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.295 -4.985 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 25 29.827 -4.217 1.336 1.00 0.00 H new ATOM 395 N GLY A 26 28.831 -1.836 5.748 1.00 0.00 N ATOM 396 CA GLY A 26 28.395 -1.631 7.114 1.00 0.00 C ATOM 397 C GLY A 26 27.418 -0.486 7.214 1.00 0.00 C ATOM 398 O GLY A 26 26.732 -0.320 8.222 1.00 0.00 O ATOM 0 H GLY A 26 29.509 -1.155 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.930 -2.542 7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.259 -1.430 7.747 1.00 0.00 H new ATOM 402 N THR A 27 27.363 0.305 6.151 1.00 0.00 N ATOM 403 CA THR A 27 26.474 1.459 6.088 1.00 0.00 C ATOM 404 C THR A 27 25.012 1.028 6.149 1.00 0.00 C ATOM 405 O THR A 27 24.702 -0.156 6.039 1.00 0.00 O ATOM 406 CB THR A 27 26.700 2.265 4.796 1.00 0.00 C ATOM 407 OG1 THR A 27 26.314 3.630 4.997 1.00 0.00 O ATOM 408 CG2 THR A 27 25.899 1.676 3.648 1.00 0.00 C ATOM 0 H THR A 27 27.929 0.167 5.313 1.00 0.00 H new ATOM 0 HA THR A 27 26.704 2.086 6.949 1.00 0.00 H new ATOM 0 HB THR A 27 27.760 2.219 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.462 4.137 4.171 1.00 0.00 H new ATOM 0 HG21 THR A 27 26.073 2.261 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.210 0.645 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.838 1.699 3.896 1.00 0.00 H new ATOM 416 N THR A 28 24.120 1.997 6.322 1.00 0.00 N ATOM 417 CA THR A 28 22.690 1.719 6.379 1.00 0.00 C ATOM 418 C THR A 28 21.883 2.993 6.162 1.00 0.00 C ATOM 419 O THR A 28 22.054 3.975 6.885 1.00 0.00 O ATOM 420 CB THR A 28 22.272 1.089 7.725 1.00 0.00 C ATOM 421 OG1 THR A 28 23.298 0.213 8.205 1.00 0.00 O ATOM 422 CG2 THR A 28 20.973 0.311 7.574 1.00 0.00 C ATOM 0 H THR A 28 24.362 2.982 6.425 1.00 0.00 H new ATOM 0 HA THR A 28 22.482 1.005 5.582 1.00 0.00 H new ATOM 0 HB THR A 28 22.121 1.896 8.442 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.684 -0.282 7.452 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.696 -0.125 8.534 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.183 0.983 7.239 1.00 0.00 H new ATOM 0 HG23 THR A 28 21.108 -0.484 6.840 1.00 0.00 H new ATOM 430 N LEU A 29 21.004 2.975 5.167 1.00 0.00 N ATOM 431 CA LEU A 29 20.208 4.153 4.849 1.00 0.00 C ATOM 432 C LEU A 29 18.762 3.991 5.288 1.00 0.00 C ATOM 433 O LEU A 29 18.283 2.880 5.510 1.00 0.00 O ATOM 434 CB LEU A 29 20.270 4.488 3.353 1.00 0.00 C ATOM 435 CG LEU A 29 20.233 3.300 2.386 1.00 0.00 C ATOM 436 CD1 LEU A 29 19.979 3.784 0.965 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.534 2.518 2.444 1.00 0.00 C ATOM 0 H LEU A 29 20.826 2.166 4.572 1.00 0.00 H new ATOM 0 HA LEU A 29 20.642 4.983 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.435 5.147 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 29 21.184 5.052 3.167 1.00 0.00 H new ATOM 0 HG LEU A 29 19.419 2.640 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.955 2.930 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.023 4.306 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.777 4.463 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.486 1.679 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.363 3.170 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.688 2.143 3.456 1.00 0.00 H new ATOM 449 N LYS A 30 18.074 5.120 5.405 1.00 0.00 N ATOM 450 CA LYS A 30 16.683 5.132 5.821 1.00 0.00 C ATOM 451 C LYS A 30 15.753 5.293 4.628 1.00 0.00 C ATOM 452 O LYS A 30 15.954 6.164 3.781 1.00 0.00 O ATOM 453 CB LYS A 30 16.440 6.265 6.816 1.00 0.00 C ATOM 454 CG LYS A 30 16.636 5.858 8.269 1.00 0.00 C ATOM 455 CD LYS A 30 18.075 5.458 8.550 1.00 0.00 C ATOM 456 CE LYS A 30 18.263 5.025 9.995 1.00 0.00 C ATOM 457 NZ LYS A 30 17.948 6.122 10.950 1.00 0.00 N ATOM 0 H LYS A 30 18.463 6.044 5.215 1.00 0.00 H new ATOM 0 HA LYS A 30 16.469 4.176 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.114 7.090 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.424 6.638 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.354 6.685 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.974 5.026 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.363 4.644 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.736 6.297 8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.623 4.168 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.292 4.698 10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.263 5.853 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.439 6.990 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.922 6.290 10.959 1.00 0.00 H new ATOM 471 N TYR A 31 14.735 4.447 4.571 1.00 0.00 N ATOM 472 CA TYR A 31 13.761 4.493 3.493 1.00 0.00 C ATOM 473 C TYR A 31 12.348 4.394 4.050 1.00 0.00 C ATOM 474 O TYR A 31 12.104 3.683 5.025 1.00 0.00 O ATOM 475 CB TYR A 31 14.017 3.360 2.493 1.00 0.00 C ATOM 476 CG TYR A 31 14.779 3.795 1.261 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.095 4.231 1.349 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.179 3.773 0.007 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.791 4.631 0.224 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.869 4.171 -1.122 1.00 0.00 C ATOM 481 CZ TYR A 31 16.174 4.600 -1.008 1.00 0.00 C ATOM 482 OH TYR A 31 16.864 4.998 -2.130 1.00 0.00 O ATOM 0 H TYR A 31 14.563 3.717 5.263 1.00 0.00 H new ATOM 0 HA TYR A 31 13.865 5.446 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.573 2.566 2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.061 2.935 2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.582 4.258 2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.156 3.439 -0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.814 4.966 0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.388 4.146 -2.089 1.00 0.00 H new ATOM 0 HH TYR A 31 16.286 4.914 -2.917 1.00 0.00 H new ATOM 492 N THR A 32 11.421 5.113 3.430 1.00 0.00 N ATOM 493 CA THR A 32 10.029 5.120 3.856 1.00 0.00 C ATOM 494 C THR A 32 9.150 4.464 2.797 1.00 0.00 C ATOM 495 O THR A 32 9.603 4.205 1.683 1.00 0.00 O ATOM 496 CB THR A 32 9.537 6.556 4.117 1.00 0.00 C ATOM 497 OG1 THR A 32 8.111 6.624 4.006 1.00 0.00 O ATOM 498 CG2 THR A 32 10.181 7.527 3.140 1.00 0.00 C ATOM 0 H THR A 32 11.612 5.705 2.622 1.00 0.00 H new ATOM 0 HA THR A 32 9.961 4.555 4.786 1.00 0.00 H new ATOM 0 HB THR A 32 9.825 6.836 5.130 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.813 7.542 4.176 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.821 8.536 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.264 7.498 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.920 7.244 2.120 1.00 0.00 H new ATOM 506 N CYS A 33 7.895 4.197 3.141 1.00 0.00 N ATOM 507 CA CYS A 33 6.975 3.561 2.204 1.00 0.00 C ATOM 508 C CYS A 33 5.745 4.427 1.944 1.00 0.00 C ATOM 509 O CYS A 33 4.940 4.698 2.835 1.00 0.00 O ATOM 510 CB CYS A 33 6.537 2.192 2.736 1.00 0.00 C ATOM 511 SG CYS A 33 7.901 1.005 2.974 1.00 0.00 S ATOM 0 H CYS A 33 7.493 4.409 4.054 1.00 0.00 H new ATOM 0 HA CYS A 33 7.506 3.434 1.261 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.024 2.333 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.813 1.761 2.044 1.00 0.00 H new ATOM 516 N LEU A 34 5.660 4.864 0.685 1.00 0.00 N ATOM 517 CA LEU A 34 4.581 5.722 0.193 1.00 0.00 C ATOM 518 C LEU A 34 3.227 5.357 0.807 1.00 0.00 C ATOM 519 O LEU A 34 3.030 4.249 1.298 1.00 0.00 O ATOM 520 CB LEU A 34 4.503 5.632 -1.334 1.00 0.00 C ATOM 521 CG LEU A 34 5.849 5.754 -2.059 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.710 5.325 -3.512 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.373 7.180 -1.974 1.00 0.00 C ATOM 0 H LEU A 34 6.348 4.628 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 34 4.810 6.744 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.047 4.680 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.840 6.417 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 34 6.565 5.094 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.674 5.417 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.377 4.288 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.980 5.962 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.329 7.248 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.658 7.859 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.508 7.456 -0.928 1.00 0.00 H new ATOM 535 N PRO A 35 2.270 6.299 0.786 1.00 0.00 N ATOM 536 CA PRO A 35 0.937 6.077 1.349 1.00 0.00 C ATOM 537 C PRO A 35 0.106 5.070 0.557 1.00 0.00 C ATOM 538 O PRO A 35 -0.300 5.335 -0.573 1.00 0.00 O ATOM 539 CB PRO A 35 0.288 7.462 1.291 1.00 0.00 C ATOM 540 CG PRO A 35 1.001 8.168 0.190 1.00 0.00 C ATOM 541 CD PRO A 35 2.413 7.656 0.221 1.00 0.00 C ATOM 0 HA PRO A 35 0.998 5.654 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.781 7.390 1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.398 7.991 2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.532 7.964 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.974 9.248 0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.854 7.632 -0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.055 8.284 0.839 1.00 0.00 H new ATOM 549 N GLY A 36 -0.142 3.916 1.171 1.00 0.00 N ATOM 550 CA GLY A 36 -0.957 2.906 0.511 1.00 0.00 C ATOM 551 C GLY A 36 -0.272 1.557 0.339 1.00 0.00 C ATOM 552 O GLY A 36 -0.795 0.685 -0.354 1.00 0.00 O ATOM 0 H GLY A 36 0.199 3.663 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.873 2.764 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.250 3.278 -0.471 1.00 0.00 H new ATOM 556 N TYR A 37 0.889 1.373 0.963 1.00 0.00 N ATOM 557 CA TYR A 37 1.582 0.095 0.853 1.00 0.00 C ATOM 558 C TYR A 37 0.858 -1.017 1.588 1.00 0.00 C ATOM 559 O TYR A 37 0.260 -0.821 2.646 1.00 0.00 O ATOM 560 CB TYR A 37 3.032 0.217 1.297 1.00 0.00 C ATOM 561 CG TYR A 37 3.933 0.662 0.169 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.464 -0.258 -0.727 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.240 2.001 -0.013 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.277 0.147 -1.767 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.050 2.412 -1.051 1.00 0.00 C ATOM 566 CZ TYR A 37 5.567 1.485 -1.923 1.00 0.00 C ATOM 567 OH TYR A 37 6.372 1.898 -2.957 1.00 0.00 O ATOM 0 H TYR A 37 1.359 2.074 1.536 1.00 0.00 H new ATOM 0 HA TYR A 37 1.581 -0.182 -0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.101 0.930 2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.376 -0.744 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.237 -1.307 -0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.838 2.735 0.670 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.683 -0.581 -2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.277 3.460 -1.178 1.00 0.00 H new ATOM 0 HH TYR A 37 6.235 1.314 -3.732 1.00 0.00 H new ATOM 577 N VAL A 38 0.936 -2.191 0.984 1.00 0.00 N ATOM 578 CA VAL A 38 0.246 -3.353 1.511 1.00 0.00 C ATOM 579 C VAL A 38 1.241 -4.365 2.082 1.00 0.00 C ATOM 580 O VAL A 38 2.444 -4.278 1.836 1.00 0.00 O ATOM 581 CB VAL A 38 -0.603 -4.007 0.414 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.367 -5.190 0.959 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.562 -2.992 -0.182 1.00 0.00 C ATOM 0 H VAL A 38 1.469 -2.363 0.131 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.409 -3.025 2.318 1.00 0.00 H new ATOM 0 HB VAL A 38 0.066 -4.364 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.962 -5.637 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.666 -5.929 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.026 -4.859 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.159 -3.468 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.220 -2.611 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.996 -2.167 -0.614 1.00 0.00 H new ATOM 593 N ARG A 39 0.708 -5.313 2.859 1.00 0.00 N ATOM 594 CA ARG A 39 1.496 -6.356 3.519 1.00 0.00 C ATOM 595 C ARG A 39 2.807 -6.661 2.809 1.00 0.00 C ATOM 596 O ARG A 39 2.815 -7.180 1.694 1.00 0.00 O ATOM 597 CB ARG A 39 0.678 -7.638 3.643 1.00 0.00 C ATOM 598 CG ARG A 39 1.399 -8.744 4.397 1.00 0.00 C ATOM 599 CD ARG A 39 0.580 -10.022 4.432 1.00 0.00 C ATOM 600 NE ARG A 39 1.309 -11.118 5.065 1.00 0.00 N ATOM 601 CZ ARG A 39 0.773 -12.306 5.333 1.00 0.00 C ATOM 602 NH1 ARG A 39 -0.495 -12.550 5.030 1.00 0.00 N ATOM 603 NH2 ARG A 39 1.506 -13.250 5.905 1.00 0.00 N ATOM 0 H ARG A 39 -0.292 -5.378 3.049 1.00 0.00 H new ATOM 0 HA ARG A 39 1.747 -5.968 4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.260 -7.414 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.423 -7.995 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.361 -8.940 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.606 -8.416 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.349 -9.843 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.307 -10.306 3.416 1.00 0.00 H new ATOM 0 HE ARG A 39 2.285 -10.964 5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.063 -11.826 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.902 -13.462 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.481 -13.066 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.095 -14.161 6.110 1.00 0.00 H new ATOM 617 N SER A 40 3.910 -6.353 3.489 1.00 0.00 N ATOM 618 CA SER A 40 5.251 -6.587 2.960 1.00 0.00 C ATOM 619 C SER A 40 6.300 -5.883 3.810 1.00 0.00 C ATOM 620 O SER A 40 7.483 -6.214 3.753 1.00 0.00 O ATOM 621 CB SER A 40 5.359 -6.092 1.521 1.00 0.00 C ATOM 622 OG SER A 40 6.677 -6.254 1.026 1.00 0.00 O ATOM 0 H SER A 40 3.899 -5.935 4.420 1.00 0.00 H new ATOM 0 HA SER A 40 5.431 -7.662 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.660 -6.641 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.075 -5.041 1.472 1.00 0.00 H new ATOM 0 HG SER A 40 7.234 -6.678 1.712 1.00 0.00 H new ATOM 628 N HIS A 41 5.857 -4.911 4.600 1.00 0.00 N ATOM 629 CA HIS A 41 6.768 -4.147 5.450 1.00 0.00 C ATOM 630 C HIS A 41 7.443 -5.037 6.484 1.00 0.00 C ATOM 631 O HIS A 41 6.815 -5.922 7.065 1.00 0.00 O ATOM 632 CB HIS A 41 6.032 -3.006 6.149 1.00 0.00 C ATOM 633 CG HIS A 41 4.801 -3.441 6.882 1.00 0.00 C ATOM 634 ND1 HIS A 41 4.745 -3.556 8.255 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.573 -3.787 6.427 1.00 0.00 C ATOM 636 CE1 HIS A 41 3.538 -3.955 8.613 1.00 0.00 C ATOM 637 NE2 HIS A 41 2.808 -4.102 7.523 1.00 0.00 N ATOM 0 H HIS A 41 4.878 -4.633 4.671 1.00 0.00 H new ATOM 0 HA HIS A 41 7.539 -3.727 4.803 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.711 -2.525 6.852 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.756 -2.256 5.408 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.255 -3.811 5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.205 -4.131 9.625 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.833 -4.401 7.499 1.00 0.00 H new ATOM 646 N SER A 42 8.730 -4.786 6.711 1.00 0.00 N ATOM 647 CA SER A 42 9.508 -5.558 7.671 1.00 0.00 C ATOM 648 C SER A 42 10.938 -5.036 7.759 1.00 0.00 C ATOM 649 O SER A 42 11.720 -5.482 8.599 1.00 0.00 O ATOM 650 CB SER A 42 9.529 -7.031 7.267 1.00 0.00 C ATOM 651 OG SER A 42 10.207 -7.818 8.232 1.00 0.00 O ATOM 0 H SER A 42 9.256 -4.050 6.240 1.00 0.00 H new ATOM 0 HA SER A 42 9.037 -5.454 8.648 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.508 -7.393 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.017 -7.138 6.298 1.00 0.00 H new ATOM 0 HG SER A 42 10.805 -7.247 8.758 1.00 0.00 H new ATOM 657 N THR A 43 11.276 -4.090 6.888 1.00 0.00 N ATOM 658 CA THR A 43 12.624 -3.522 6.869 1.00 0.00 C ATOM 659 C THR A 43 12.604 -2.008 6.698 1.00 0.00 C ATOM 660 O THR A 43 12.663 -1.263 7.677 1.00 0.00 O ATOM 661 CB THR A 43 13.474 -4.138 5.741 1.00 0.00 C ATOM 662 OG1 THR A 43 13.302 -5.560 5.717 1.00 0.00 O ATOM 663 CG2 THR A 43 14.946 -3.806 5.929 1.00 0.00 C ATOM 0 H THR A 43 10.642 -3.701 6.190 1.00 0.00 H new ATOM 0 HA THR A 43 13.069 -3.761 7.835 1.00 0.00 H new ATOM 0 HB THR A 43 13.139 -3.715 4.794 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.844 -5.943 4.996 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.526 -4.252 5.121 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.079 -2.724 5.918 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.290 -4.204 6.884 1.00 0.00 H new ATOM 671 N GLN A 44 12.535 -1.570 5.444 1.00 0.00 N ATOM 672 CA GLN A 44 12.512 -0.148 5.104 1.00 0.00 C ATOM 673 C GLN A 44 13.904 0.464 5.234 1.00 0.00 C ATOM 674 O GLN A 44 14.050 1.680 5.357 1.00 0.00 O ATOM 675 CB GLN A 44 11.513 0.609 5.986 1.00 0.00 C ATOM 676 CG GLN A 44 10.100 0.054 5.918 1.00 0.00 C ATOM 677 CD GLN A 44 9.116 0.858 6.745 1.00 0.00 C ATOM 678 OE1 GLN A 44 8.503 1.805 6.253 1.00 0.00 O ATOM 679 NE2 GLN A 44 8.960 0.482 8.009 1.00 0.00 N ATOM 0 H GLN A 44 12.493 -2.189 4.635 1.00 0.00 H new ATOM 0 HA GLN A 44 12.191 -0.058 4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.857 0.578 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.498 1.657 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.769 0.040 4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.102 -0.979 6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.489 -0.310 8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.311 0.985 8.614 1.00 0.00 H new ATOM 688 N THR A 45 14.925 -0.391 5.194 1.00 0.00 N ATOM 689 CA THR A 45 16.310 0.058 5.297 1.00 0.00 C ATOM 690 C THR A 45 17.211 -0.746 4.368 1.00 0.00 C ATOM 691 O THR A 45 17.075 -1.964 4.264 1.00 0.00 O ATOM 692 CB THR A 45 16.846 -0.070 6.735 1.00 0.00 C ATOM 693 OG1 THR A 45 16.747 -1.428 7.178 1.00 0.00 O ATOM 694 CG2 THR A 45 16.080 0.835 7.684 1.00 0.00 C ATOM 0 H THR A 45 14.817 -1.400 5.091 1.00 0.00 H new ATOM 0 HA THR A 45 16.321 1.109 5.007 1.00 0.00 H new ATOM 0 HB THR A 45 17.892 0.236 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.092 -1.500 8.093 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.479 0.725 8.693 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.185 1.871 7.363 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.026 0.559 7.678 1.00 0.00 H new ATOM 702 N LEU A 46 18.132 -0.063 3.692 1.00 0.00 N ATOM 703 CA LEU A 46 19.045 -0.737 2.777 1.00 0.00 C ATOM 704 C LEU A 46 20.437 -0.821 3.392 1.00 0.00 C ATOM 705 O LEU A 46 20.852 0.061 4.144 1.00 0.00 O ATOM 706 CB LEU A 46 19.107 -0.009 1.430 1.00 0.00 C ATOM 707 CG LEU A 46 17.786 0.597 0.952 1.00 0.00 C ATOM 708 CD1 LEU A 46 17.938 1.184 -0.447 1.00 0.00 C ATOM 709 CD2 LEU A 46 16.669 -0.432 0.980 1.00 0.00 C ATOM 0 H LEU A 46 18.264 0.946 3.760 1.00 0.00 H new ATOM 0 HA LEU A 46 18.671 -1.746 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.848 0.787 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.461 -0.709 0.673 1.00 0.00 H new ATOM 0 HG LEU A 46 17.520 1.402 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.987 1.610 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.699 1.964 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.236 0.398 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.743 0.027 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.926 -1.266 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.536 -0.797 1.998 1.00 0.00 H new ATOM 721 N THR A 47 21.148 -1.889 3.066 1.00 0.00 N ATOM 722 CA THR A 47 22.498 -2.105 3.577 1.00 0.00 C ATOM 723 C THR A 47 23.373 -2.721 2.496 1.00 0.00 C ATOM 724 O THR A 47 22.888 -3.502 1.677 1.00 0.00 O ATOM 725 CB THR A 47 22.498 -3.034 4.806 1.00 0.00 C ATOM 726 OG1 THR A 47 21.468 -2.637 5.720 1.00 0.00 O ATOM 727 CG2 THR A 47 23.845 -3.000 5.512 1.00 0.00 C ATOM 0 H THR A 47 20.812 -2.626 2.446 1.00 0.00 H new ATOM 0 HA THR A 47 22.893 -1.134 3.874 1.00 0.00 H new ATOM 0 HB THR A 47 22.310 -4.051 4.463 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.473 -3.233 6.498 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.820 -3.664 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.624 -3.329 4.825 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.057 -1.983 5.842 1.00 0.00 H new ATOM 735 N CYS A 48 24.659 -2.383 2.485 1.00 0.00 N ATOM 736 CA CYS A 48 25.550 -2.930 1.478 1.00 0.00 C ATOM 737 C CYS A 48 25.924 -4.350 1.872 1.00 0.00 C ATOM 738 O CYS A 48 26.546 -4.578 2.908 1.00 0.00 O ATOM 739 CB CYS A 48 26.790 -2.047 1.311 1.00 0.00 C ATOM 740 SG CYS A 48 27.926 -2.579 -0.011 1.00 0.00 S ATOM 0 H CYS A 48 25.097 -1.745 3.150 1.00 0.00 H new ATOM 0 HA CYS A 48 25.044 -2.952 0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.468 -1.026 1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.335 -2.027 2.255 1.00 0.00 H new ATOM 745 N ASN A 49 25.518 -5.302 1.045 1.00 0.00 N ATOM 746 CA ASN A 49 25.826 -6.701 1.290 1.00 0.00 C ATOM 747 C ASN A 49 27.076 -7.110 0.515 1.00 0.00 C ATOM 748 O ASN A 49 27.779 -6.261 -0.031 1.00 0.00 O ATOM 749 CB ASN A 49 24.644 -7.579 0.888 1.00 0.00 C ATOM 750 CG ASN A 49 24.365 -7.503 -0.596 1.00 0.00 C ATOM 751 OD1 ASN A 49 24.886 -8.296 -1.371 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.546 -6.541 -0.997 1.00 0.00 N ATOM 0 H ASN A 49 24.975 -5.130 0.199 1.00 0.00 H new ATOM 0 HA ASN A 49 26.016 -6.836 2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 49 24.848 -8.613 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 49 23.757 -7.269 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.326 -6.438 -1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.135 -5.904 -0.315 1.00 0.00 H new ATOM 759 N SER A 50 27.343 -8.410 0.456 1.00 0.00 N ATOM 760 CA SER A 50 28.516 -8.910 -0.252 1.00 0.00 C ATOM 761 C SER A 50 28.111 -9.651 -1.534 1.00 0.00 C ATOM 762 O SER A 50 28.480 -10.808 -1.740 1.00 0.00 O ATOM 763 CB SER A 50 29.323 -9.840 0.656 1.00 0.00 C ATOM 764 OG SER A 50 30.510 -10.275 0.017 1.00 0.00 O ATOM 0 H SER A 50 26.767 -9.133 0.887 1.00 0.00 H new ATOM 0 HA SER A 50 29.133 -8.056 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 50 29.574 -9.322 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 50 28.716 -10.703 0.929 1.00 0.00 H new ATOM 0 HG SER A 50 30.281 -10.772 -0.796 1.00 0.00 H new ATOM 770 N ASP A 51 27.353 -8.966 -2.388 1.00 0.00 N ATOM 771 CA ASP A 51 26.902 -9.526 -3.666 1.00 0.00 C ATOM 772 C ASP A 51 27.349 -8.624 -4.809 1.00 0.00 C ATOM 773 O ASP A 51 27.735 -9.098 -5.877 1.00 0.00 O ATOM 774 CB ASP A 51 25.379 -9.657 -3.688 1.00 0.00 C ATOM 775 CG ASP A 51 24.877 -10.345 -4.942 1.00 0.00 C ATOM 776 OD1 ASP A 51 24.851 -11.594 -4.964 1.00 0.00 O ATOM 777 OD2 ASP A 51 24.512 -9.637 -5.903 1.00 0.00 O ATOM 0 H ASP A 51 27.034 -8.012 -2.218 1.00 0.00 H new ATOM 0 HA ASP A 51 27.342 -10.516 -3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.053 -10.219 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.931 -8.666 -3.616 1.00 0.00 H new ATOM 782 N GLY A 52 27.292 -7.319 -4.572 1.00 0.00 N ATOM 783 CA GLY A 52 27.680 -6.357 -5.585 1.00 0.00 C ATOM 784 C GLY A 52 26.739 -5.169 -5.598 1.00 0.00 C ATOM 785 O GLY A 52 26.895 -4.232 -6.383 1.00 0.00 O ATOM 0 H GLY A 52 26.982 -6.909 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.698 -6.016 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 52 27.680 -6.836 -6.564 1.00 0.00 H new ATOM 789 N GLU A 53 25.756 -5.230 -4.704 1.00 0.00 N ATOM 790 CA GLU A 53 24.770 -4.160 -4.603 1.00 0.00 C ATOM 791 C GLU A 53 24.112 -4.098 -3.230 1.00 0.00 C ATOM 792 O GLU A 53 24.668 -4.547 -2.229 1.00 0.00 O ATOM 793 CB GLU A 53 23.701 -4.347 -5.679 1.00 0.00 C ATOM 794 CG GLU A 53 22.804 -5.547 -5.432 1.00 0.00 C ATOM 795 CD GLU A 53 21.888 -5.844 -6.603 1.00 0.00 C ATOM 796 OE1 GLU A 53 20.783 -5.262 -6.653 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.272 -6.660 -7.466 1.00 0.00 O ATOM 0 H GLU A 53 25.622 -5.999 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 53 25.297 -3.217 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.087 -3.448 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.187 -4.459 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.422 -6.422 -5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.202 -5.368 -4.541 1.00 0.00 H new ATOM 804 N TRP A 54 22.908 -3.537 -3.214 1.00 0.00 N ATOM 805 CA TRP A 54 22.140 -3.353 -1.997 1.00 0.00 C ATOM 806 C TRP A 54 21.130 -4.463 -1.759 1.00 0.00 C ATOM 807 O TRP A 54 20.242 -4.705 -2.577 1.00 0.00 O ATOM 808 CB TRP A 54 21.391 -2.033 -2.084 1.00 0.00 C ATOM 809 CG TRP A 54 22.289 -0.840 -2.130 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.653 -0.124 -3.232 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.939 -0.230 -1.021 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.489 0.903 -2.869 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.682 0.856 -1.514 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.962 -0.501 0.343 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.442 1.674 -0.683 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.714 0.309 1.170 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.444 1.384 0.654 1.00 0.00 C ATOM 0 H TRP A 54 22.438 -3.196 -4.053 1.00 0.00 H new ATOM 0 HA TRP A 54 22.846 -3.365 -1.166 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.762 -2.039 -2.974 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.726 -1.944 -1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.331 -0.334 -4.241 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.899 1.588 -3.504 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.401 -1.331 0.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 25.008 2.505 -1.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.739 0.109 2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.023 2.000 1.326 1.00 0.00 H new ATOM 828 N VAL A 55 21.285 -5.131 -0.626 1.00 0.00 N ATOM 829 CA VAL A 55 20.375 -6.182 -0.215 1.00 0.00 C ATOM 830 C VAL A 55 19.438 -5.577 0.823 1.00 0.00 C ATOM 831 O VAL A 55 19.853 -4.680 1.559 1.00 0.00 O ATOM 832 CB VAL A 55 21.128 -7.394 0.370 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.439 -7.921 1.615 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.255 -8.488 -0.678 1.00 0.00 C ATOM 0 H VAL A 55 22.045 -4.958 0.032 1.00 0.00 H new ATOM 0 HA VAL A 55 19.820 -6.554 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 55 22.127 -7.067 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.994 -8.775 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.404 -7.137 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.424 -8.231 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.788 -9.338 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.262 -8.805 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 55 21.806 -8.106 -1.537 1.00 0.00 H new ATOM 844 N TYR A 56 18.199 -6.052 0.915 1.00 0.00 N ATOM 845 CA TYR A 56 17.286 -5.483 1.908 1.00 0.00 C ATOM 846 C TYR A 56 15.894 -6.101 1.854 1.00 0.00 C ATOM 847 O TYR A 56 14.963 -5.616 2.497 1.00 0.00 O ATOM 848 CB TYR A 56 17.180 -3.968 1.688 1.00 0.00 C ATOM 849 CG TYR A 56 17.061 -3.585 0.226 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.873 -3.773 -0.469 1.00 0.00 C ATOM 851 CD2 TYR A 56 18.139 -3.036 -0.458 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.763 -3.426 -1.802 1.00 0.00 C ATOM 853 CE2 TYR A 56 18.036 -2.685 -1.791 1.00 0.00 C ATOM 854 CZ TYR A 56 16.847 -2.883 -2.458 1.00 0.00 C ATOM 855 OH TYR A 56 16.740 -2.535 -3.785 1.00 0.00 O ATOM 0 H TYR A 56 17.812 -6.800 0.340 1.00 0.00 H new ATOM 0 HA TYR A 56 17.698 -5.705 2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.313 -3.588 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.058 -3.483 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.021 -4.198 0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 56 19.073 -2.881 0.061 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.832 -3.580 -2.327 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.883 -2.258 -2.307 1.00 0.00 H new ATOM 0 HH TYR A 56 17.593 -2.166 -4.096 1.00 0.00 H new ATOM 865 N ASN A 57 15.764 -7.174 1.084 1.00 0.00 N ATOM 866 CA ASN A 57 14.492 -7.873 0.940 1.00 0.00 C ATOM 867 C ASN A 57 13.434 -6.957 0.335 1.00 0.00 C ATOM 868 O ASN A 57 13.675 -5.770 0.120 1.00 0.00 O ATOM 869 CB ASN A 57 14.015 -8.405 2.292 1.00 0.00 C ATOM 870 CG ASN A 57 15.016 -9.348 2.928 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.898 -8.925 3.675 1.00 0.00 O ATOM 872 ND2 ASN A 57 14.885 -10.638 2.634 1.00 0.00 N ATOM 0 H ASN A 57 16.529 -7.582 0.546 1.00 0.00 H new ATOM 0 HA ASN A 57 14.646 -8.715 0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.831 -7.567 2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.065 -8.923 2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.530 -11.320 3.033 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.139 -10.946 2.010 1.00 0.00 H new ATOM 879 N THR A 58 12.259 -7.514 0.060 1.00 0.00 N ATOM 880 CA THR A 58 11.173 -6.737 -0.521 1.00 0.00 C ATOM 881 C THR A 58 10.183 -6.291 0.546 1.00 0.00 C ATOM 882 O THR A 58 9.276 -7.033 0.923 1.00 0.00 O ATOM 883 CB THR A 58 10.424 -7.534 -1.606 1.00 0.00 C ATOM 884 OG1 THR A 58 11.358 -8.085 -2.542 1.00 0.00 O ATOM 885 CG2 THR A 58 9.433 -6.643 -2.340 1.00 0.00 C ATOM 0 H THR A 58 12.036 -8.495 0.229 1.00 0.00 H new ATOM 0 HA THR A 58 11.626 -5.858 -0.980 1.00 0.00 H new ATOM 0 HB THR A 58 9.876 -8.342 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.874 -8.591 -3.227 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.915 -7.226 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.707 -6.245 -1.631 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.966 -5.819 -2.814 1.00 0.00 H new ATOM 893 N PHE A 59 10.374 -5.071 1.030 1.00 0.00 N ATOM 894 CA PHE A 59 9.507 -4.499 2.050 1.00 0.00 C ATOM 895 C PHE A 59 8.507 -3.540 1.412 1.00 0.00 C ATOM 896 O PHE A 59 8.868 -2.759 0.530 1.00 0.00 O ATOM 897 CB PHE A 59 10.355 -3.777 3.100 1.00 0.00 C ATOM 898 CG PHE A 59 11.404 -2.886 2.503 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.117 -1.571 2.174 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.678 -3.371 2.264 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.084 -0.758 1.617 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.648 -2.563 1.709 1.00 0.00 C ATOM 903 CZ PHE A 59 13.351 -1.256 1.383 1.00 0.00 C ATOM 0 H PHE A 59 11.129 -4.454 0.729 1.00 0.00 H new ATOM 0 HA PHE A 59 8.949 -5.298 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.702 -3.181 3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.837 -4.517 3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.127 -1.178 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.915 -4.394 2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.850 0.266 1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.639 -2.953 1.530 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.108 -0.623 0.945 1.00 0.00 H new ATOM 913 N CYS A 60 7.252 -3.604 1.854 1.00 0.00 N ATOM 914 CA CYS A 60 6.200 -2.751 1.303 1.00 0.00 C ATOM 915 C CYS A 60 5.995 -3.075 -0.178 1.00 0.00 C ATOM 916 O CYS A 60 6.798 -2.678 -1.020 1.00 0.00 O ATOM 917 CB CYS A 60 6.563 -1.270 1.477 1.00 0.00 C ATOM 918 SG CYS A 60 6.960 -0.781 3.187 1.00 0.00 S ATOM 0 H CYS A 60 6.939 -4.236 2.591 1.00 0.00 H new ATOM 0 HA CYS A 60 5.272 -2.943 1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.418 -1.042 0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.731 -0.662 1.123 1.00 0.00 H new ATOM 923 N ILE A 61 4.919 -3.796 -0.498 1.00 0.00 N ATOM 924 CA ILE A 61 4.653 -4.183 -1.885 1.00 0.00 C ATOM 925 C ILE A 61 3.646 -3.283 -2.575 1.00 0.00 C ATOM 926 O ILE A 61 3.836 -2.922 -3.737 1.00 0.00 O ATOM 927 CB ILE A 61 4.152 -5.633 -1.990 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.964 -5.863 -1.056 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.276 -6.597 -1.672 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.348 -7.238 -1.197 1.00 0.00 C ATOM 0 H ILE A 61 4.225 -4.121 0.175 1.00 0.00 H new ATOM 0 HA ILE A 61 5.614 -4.082 -2.389 1.00 0.00 H new ATOM 0 HB ILE A 61 3.818 -5.812 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.289 -5.722 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.202 -5.109 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.910 -7.621 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.093 -6.449 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.635 -6.416 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.511 -7.334 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.993 -7.375 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.096 -7.997 -0.968 1.00 0.00 H new ATOM 942 N TYR A 62 2.569 -2.942 -1.874 1.00 0.00 N ATOM 943 CA TYR A 62 1.530 -2.088 -2.460 1.00 0.00 C ATOM 944 C TYR A 62 0.672 -2.890 -3.439 1.00 0.00 C ATOM 945 O TYR A 62 1.149 -3.369 -4.469 1.00 0.00 O ATOM 946 CB TYR A 62 2.172 -0.888 -3.165 1.00 0.00 C ATOM 947 CG TYR A 62 1.399 0.400 -3.035 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.059 0.485 -3.394 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.024 1.539 -2.550 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.633 1.675 -3.270 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.343 2.727 -2.423 1.00 0.00 C ATOM 952 CZ TYR A 62 0.017 2.793 -2.783 1.00 0.00 C ATOM 953 OH TYR A 62 -0.658 3.979 -2.651 1.00 0.00 O ATOM 0 H TYR A 62 2.390 -3.236 -0.914 1.00 0.00 H new ATOM 0 HA TYR A 62 0.886 -1.719 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.173 -0.738 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.287 -1.123 -4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.448 -0.390 -3.775 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.065 1.492 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.674 1.731 -3.552 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.847 3.603 -2.043 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.113 4.610 -2.136 1.00 0.00 H new ATOM 963 N LYS A 63 -0.605 -3.022 -3.084 1.00 0.00 N ATOM 964 CA LYS A 63 -1.579 -3.767 -3.879 1.00 0.00 C ATOM 965 C LYS A 63 -2.991 -3.417 -3.419 1.00 0.00 C ATOM 966 O LYS A 63 -3.432 -3.840 -2.351 1.00 0.00 O ATOM 967 CB LYS A 63 -1.338 -5.278 -3.767 1.00 0.00 C ATOM 968 CG LYS A 63 -1.386 -5.805 -2.342 1.00 0.00 C ATOM 969 CD LYS A 63 -1.047 -7.281 -2.282 1.00 0.00 C ATOM 970 CE LYS A 63 -0.847 -7.751 -0.855 1.00 0.00 C ATOM 971 NZ LYS A 63 -2.134 -7.913 -0.127 1.00 0.00 N ATOM 0 H LYS A 63 -0.994 -2.614 -2.234 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.463 -3.487 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.086 -5.801 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.365 -5.514 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.686 -5.245 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.380 -5.642 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.847 -7.858 -2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.141 -7.470 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.313 -8.701 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.220 -7.035 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.008 -7.633 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.860 -7.312 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.435 -8.907 -0.171 1.00 0.00 H new ATOM 985 N ARG A 64 -3.704 -2.643 -4.229 1.00 0.00 N ATOM 986 CA ARG A 64 -5.054 -2.204 -3.889 1.00 0.00 C ATOM 987 C ARG A 64 -6.117 -3.150 -4.450 1.00 0.00 C ATOM 988 O ARG A 64 -5.830 -4.301 -4.779 1.00 0.00 O ATOM 989 CB ARG A 64 -5.289 -0.787 -4.418 1.00 0.00 C ATOM 990 CG ARG A 64 -4.835 -0.586 -5.853 1.00 0.00 C ATOM 991 CD ARG A 64 -3.416 -0.045 -5.917 1.00 0.00 C ATOM 992 NE ARG A 64 -3.352 1.366 -5.544 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.468 2.222 -6.046 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.572 1.811 -6.933 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.479 3.491 -5.662 1.00 0.00 N ATOM 0 H ARG A 64 -3.368 -2.305 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.142 -2.212 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.351 -0.554 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.764 -0.078 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.889 -1.534 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.512 0.104 -6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.776 -0.625 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.025 -0.171 -6.926 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.024 1.714 -4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.560 0.836 -7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.895 2.470 -7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.167 3.812 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.800 4.147 -6.048 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.348 -2.647 -4.554 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.469 -3.428 -5.065 1.00 0.00 C ATOM 1011 C CYS A 65 -9.222 -2.624 -6.114 1.00 0.00 C ATOM 1012 O CYS A 65 -9.194 -1.393 -6.095 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.421 -3.802 -3.927 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.591 -4.237 -2.365 1.00 0.00 S ATOM 0 H CYS A 65 -7.592 -1.693 -4.288 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.080 -4.341 -5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.096 -2.966 -3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.035 -4.645 -4.245 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.898 -3.311 -7.030 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.649 -2.619 -8.066 1.00 0.00 C ATOM 1021 C ARG A 66 -11.764 -1.800 -7.432 1.00 0.00 C ATOM 1022 O ARG A 66 -12.402 -2.239 -6.481 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.216 -3.610 -9.086 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.992 -2.953 -10.219 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.127 -1.976 -11.000 1.00 0.00 C ATOM 1026 NE ARG A 66 -11.826 -1.424 -12.158 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.258 -0.616 -13.047 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.987 -0.263 -12.909 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -11.959 -0.160 -14.076 1.00 0.00 N ATOM 0 H ARG A 66 -9.940 -4.329 -7.075 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.975 -1.947 -8.597 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.396 -4.190 -9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.870 -4.313 -8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.373 -3.721 -10.892 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.857 -2.429 -9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.817 -1.163 -10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.220 -2.481 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.806 -1.673 -12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.444 -0.612 -12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.553 0.357 -13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.937 -0.429 -14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.521 0.460 -14.757 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.994 -0.615 -7.974 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.017 0.276 -7.455 1.00 0.00 C ATOM 1045 C HIS A 67 -14.346 -0.451 -7.237 1.00 0.00 C ATOM 1046 O HIS A 67 -14.937 -0.974 -8.182 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.210 1.446 -8.415 1.00 0.00 C ATOM 1048 CG HIS A 67 -12.006 2.328 -8.532 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -11.153 2.299 -9.614 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -11.515 3.272 -7.694 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -10.187 3.184 -9.437 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -10.386 3.787 -8.280 1.00 0.00 N ATOM 0 H HIS A 67 -11.483 -0.247 -8.777 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.683 0.645 -6.485 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.463 1.058 -9.402 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -14.058 2.044 -8.080 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.934 3.565 -6.742 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.375 3.380 -10.121 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.795 4.519 -7.885 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.823 -0.495 -5.974 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.095 -1.132 -5.612 1.00 0.00 C ATOM 1063 C PRO A 68 -17.175 -0.905 -6.659 1.00 0.00 C ATOM 1064 O PRO A 68 -17.961 -1.801 -6.966 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.455 -0.405 -4.322 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.142 -0.141 -3.674 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.157 0.086 -4.792 1.00 0.00 C ATOM 0 HA PRO A 68 -16.014 -2.215 -5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.993 0.521 -4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.097 -1.015 -3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.198 0.731 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.838 -0.984 -3.053 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.949 1.147 -4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.204 -0.402 -4.590 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.206 0.306 -7.198 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.215 0.660 -8.172 1.00 0.00 C ATOM 1077 C GLY A 69 -19.204 1.657 -7.601 1.00 0.00 C ATOM 1078 O GLY A 69 -19.109 2.060 -6.442 1.00 0.00 O ATOM 0 H GLY A 69 -16.546 1.052 -6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.738 1.083 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.744 -0.237 -8.494 1.00 0.00 H new ATOM 1082 N GLU A 70 -20.154 2.045 -8.439 1.00 0.00 N ATOM 1083 CA GLU A 70 -21.175 3.000 -8.039 1.00 0.00 C ATOM 1084 C GLU A 70 -22.254 2.324 -7.202 1.00 0.00 C ATOM 1085 O GLU A 70 -22.769 1.262 -7.552 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.789 3.688 -9.260 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.733 4.827 -8.912 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.031 5.969 -8.202 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.355 6.767 -8.886 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.157 6.067 -6.964 1.00 0.00 O ATOM 0 H GLU A 70 -20.239 1.713 -9.400 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.697 3.763 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.987 4.073 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -22.330 2.947 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.197 5.202 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -23.535 4.449 -8.279 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.580 2.968 -6.087 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.615 2.491 -5.181 1.00 0.00 C ATOM 1099 C LEU A 71 -24.906 3.249 -5.478 1.00 0.00 C ATOM 1100 O LEU A 71 -25.093 4.378 -5.025 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.169 2.697 -3.726 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.272 2.587 -2.678 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -24.834 1.175 -2.623 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.765 3.020 -1.310 1.00 0.00 C ATOM 0 H LEU A 71 -22.134 3.835 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.788 1.425 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.397 1.963 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.709 3.681 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 71 -25.079 3.259 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -25.618 1.125 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -25.249 0.910 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.038 0.476 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.569 2.933 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -22.933 2.382 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.429 4.056 -1.358 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.788 2.622 -6.252 1.00 0.00 N ATOM 1117 CA ARG A 72 -27.053 3.255 -6.618 1.00 0.00 C ATOM 1118 C ARG A 72 -27.928 3.459 -5.388 1.00 0.00 C ATOM 1119 O ARG A 72 -28.159 2.544 -4.597 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.788 2.456 -7.693 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.950 3.207 -8.323 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.564 2.424 -9.471 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.142 1.158 -9.024 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.356 0.121 -9.827 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.031 0.194 -11.112 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -30.892 -0.992 -9.346 1.00 0.00 N ATOM 0 H ARG A 72 -25.653 1.686 -6.635 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.827 4.234 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -27.080 2.177 -8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -28.160 1.530 -7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.711 3.402 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.605 4.175 -8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -30.337 3.027 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.801 2.228 -10.225 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.395 1.065 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.616 1.048 -11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.196 -0.604 -11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.141 -1.053 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.056 -1.787 -9.963 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.394 4.701 -5.260 1.00 0.00 N ATOM 1141 CA ASN A 73 -29.219 5.144 -4.140 1.00 0.00 C ATOM 1142 C ASN A 73 -28.337 5.336 -2.917 1.00 0.00 C ATOM 1143 O ASN A 73 -28.839 5.429 -1.797 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.361 4.166 -3.853 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.278 3.978 -5.045 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -32.254 4.710 -5.214 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -30.970 2.992 -5.879 1.00 0.00 N ATOM 0 H ASN A 73 -28.206 5.436 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.684 6.094 -4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.945 3.201 -3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.942 4.530 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.552 2.817 -6.698 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -30.152 2.410 -5.700 1.00 0.00 H new ATOM 1154 N GLY A 74 -27.025 5.407 -3.121 1.00 0.00 N ATOM 1155 CA GLY A 74 -26.149 5.598 -1.985 1.00 0.00 C ATOM 1156 C GLY A 74 -24.852 6.311 -2.314 1.00 0.00 C ATOM 1157 O GLY A 74 -24.696 6.890 -3.389 1.00 0.00 O ATOM 0 H GLY A 74 -26.564 5.338 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.680 6.167 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.916 4.625 -1.552 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.925 6.256 -1.364 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.627 6.904 -1.518 1.00 0.00 C ATOM 1163 C GLN A 75 -21.490 5.958 -1.144 1.00 0.00 C ATOM 1164 O GLN A 75 -21.578 5.220 -0.162 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.552 8.171 -0.663 1.00 0.00 C ATOM 1166 CG GLN A 75 -22.991 9.431 -1.396 1.00 0.00 C ATOM 1167 CD GLN A 75 -24.490 9.496 -1.617 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -24.956 10.033 -2.621 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -25.254 8.961 -0.672 1.00 0.00 N ATOM 0 H GLN A 75 -24.049 5.768 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.517 7.177 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -23.176 8.040 0.221 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.528 8.303 -0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -22.675 10.305 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -22.485 9.479 -2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -24.825 8.525 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -26.270 8.986 -0.763 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.427 5.990 -1.938 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.268 5.140 -1.688 1.00 0.00 C ATOM 1180 C VAL A 76 -18.126 5.960 -1.105 1.00 0.00 C ATOM 1181 O VAL A 76 -17.487 6.736 -1.818 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.781 4.440 -2.968 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.709 3.411 -2.631 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.945 3.789 -3.697 1.00 0.00 C ATOM 0 H VAL A 76 -20.343 6.592 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.581 4.376 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.344 5.188 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.373 2.923 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.865 3.908 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.122 2.665 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.581 3.299 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.414 3.050 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.677 4.550 -3.968 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.866 5.795 0.187 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.788 6.530 0.836 1.00 0.00 C ATOM 1196 C GLU A 77 -15.431 6.075 0.308 1.00 0.00 C ATOM 1197 O GLU A 77 -14.796 5.186 0.876 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.854 6.349 2.356 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.682 6.975 3.099 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.858 6.938 4.604 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.460 5.930 5.224 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -16.397 7.917 5.162 1.00 0.00 O ATOM 0 H GLU A 77 -18.382 5.165 0.801 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.911 7.588 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.782 6.786 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.890 5.284 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.765 6.450 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.563 8.009 2.776 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.005 6.680 -0.795 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.722 6.351 -1.403 1.00 0.00 C ATOM 1211 C ILE A 78 -12.713 7.456 -1.138 1.00 0.00 C ATOM 1212 O ILE A 78 -13.033 8.641 -1.243 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.851 6.138 -2.924 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.745 4.932 -3.220 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.478 5.956 -3.560 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -14.194 3.615 -2.715 1.00 0.00 C ATOM 0 H ILE A 78 -15.531 7.402 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.379 5.420 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.313 7.025 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.724 5.100 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.896 4.861 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.591 5.807 -4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.872 6.844 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.987 5.087 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.887 2.811 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.229 3.421 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.069 3.664 -1.633 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.495 7.066 -0.793 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.445 8.029 -0.506 1.00 0.00 C ATOM 1230 C LYS A 79 -9.077 7.373 -0.551 1.00 0.00 C ATOM 1231 O LYS A 79 -8.135 7.917 -1.129 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.667 8.673 0.870 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.713 7.687 2.032 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.952 6.805 1.987 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.120 6.020 3.277 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.144 4.947 3.147 1.00 0.00 N ATOM 0 H LYS A 79 -11.211 6.090 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.484 8.803 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.869 9.393 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.602 9.233 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.822 7.060 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.694 8.236 2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.834 7.422 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.879 6.115 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.165 5.577 3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.406 6.699 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.863 5.061 3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.598 5.011 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.688 4.018 3.247 1.00 0.00 H new ATOM 1250 N THR A 80 -8.971 6.204 0.061 1.00 0.00 N ATOM 1251 CA THR A 80 -7.711 5.481 0.107 1.00 0.00 C ATOM 1252 C THR A 80 -7.430 4.737 -1.191 1.00 0.00 C ATOM 1253 O THR A 80 -6.569 3.856 -1.228 1.00 0.00 O ATOM 1254 CB THR A 80 -7.696 4.482 1.276 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.495 3.337 0.955 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.228 5.141 2.541 1.00 0.00 C ATOM 0 H THR A 80 -9.744 5.735 0.533 1.00 0.00 H new ATOM 0 HA THR A 80 -6.929 6.226 0.251 1.00 0.00 H new ATOM 0 HB THR A 80 -6.668 4.164 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.875 2.962 1.777 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.212 4.422 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.603 5.996 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.251 5.477 2.374 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.154 5.084 -2.258 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.941 4.435 -3.552 1.00 0.00 C ATOM 1266 C ASP A 81 -8.203 2.938 -3.475 1.00 0.00 C ATOM 1267 O ASP A 81 -7.905 2.193 -4.410 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.502 4.657 -3.995 1.00 0.00 C ATOM 1269 CG ASP A 81 -6.241 6.079 -4.449 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.440 6.365 -5.648 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.837 6.908 -3.606 1.00 0.00 O ATOM 0 H ASP A 81 -8.881 5.799 -2.253 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.638 4.873 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.831 4.415 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.267 3.971 -4.809 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.754 2.511 -2.346 1.00 0.00 N ATOM 1277 CA LEU A 82 -9.052 1.104 -2.103 1.00 0.00 C ATOM 1278 C LEU A 82 -7.757 0.323 -1.944 1.00 0.00 C ATOM 1279 O LEU A 82 -7.523 -0.655 -2.650 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.877 0.515 -3.249 1.00 0.00 C ATOM 1281 CG LEU A 82 -11.294 1.070 -3.406 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.955 1.259 -2.050 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.271 2.378 -4.181 1.00 0.00 C ATOM 0 H LEU A 82 -9.007 3.128 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.636 1.029 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.338 0.680 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.944 -0.564 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.883 0.347 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.961 1.654 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.009 0.300 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.369 1.958 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.287 2.758 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.663 3.107 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.846 2.207 -5.170 1.00 0.00 H new ATOM 1295 N SER A 83 -6.926 0.744 -0.999 1.00 0.00 N ATOM 1296 CA SER A 83 -5.674 0.054 -0.727 1.00 0.00 C ATOM 1297 C SER A 83 -5.913 -1.017 0.332 1.00 0.00 C ATOM 1298 O SER A 83 -6.499 -0.733 1.378 1.00 0.00 O ATOM 1299 CB SER A 83 -4.609 1.041 -0.247 1.00 0.00 C ATOM 1300 OG SER A 83 -4.998 1.662 0.966 1.00 0.00 O ATOM 0 H SER A 83 -7.097 1.559 -0.410 1.00 0.00 H new ATOM 0 HA SER A 83 -5.316 -0.412 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.663 0.519 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.442 1.801 -1.011 1.00 0.00 H new ATOM 0 HG SER A 83 -4.299 2.287 1.252 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.477 -2.246 0.053 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.659 -3.359 0.984 1.00 0.00 C ATOM 1308 C PHE A 84 -5.536 -2.897 2.432 1.00 0.00 C ATOM 1309 O PHE A 84 -4.689 -2.065 2.759 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.638 -4.465 0.706 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.696 -5.604 1.688 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -3.986 -5.548 2.878 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -5.458 -6.729 1.422 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -4.035 -6.591 3.781 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -5.512 -7.776 2.322 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.799 -7.708 3.504 1.00 0.00 C ATOM 0 H PHE A 84 -4.995 -2.495 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.664 -3.753 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.802 -4.855 -0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.637 -4.035 0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.387 -4.677 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.017 -6.789 0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.476 -6.534 4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.111 -8.647 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.839 -8.525 4.209 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.381 -3.448 3.297 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.354 -3.082 4.698 1.00 0.00 C ATOM 1328 C GLY A 85 -7.081 -1.781 4.969 1.00 0.00 C ATOM 1329 O GLY A 85 -6.688 -1.020 5.854 1.00 0.00 O ATOM 0 H GLY A 85 -7.085 -4.143 3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.808 -3.878 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.319 -2.992 5.027 1.00 0.00 H new ATOM 1333 N SER A 86 -8.146 -1.518 4.212 1.00 0.00 N ATOM 1334 CA SER A 86 -8.912 -0.291 4.395 1.00 0.00 C ATOM 1335 C SER A 86 -10.411 -0.544 4.403 1.00 0.00 C ATOM 1336 O SER A 86 -10.907 -1.506 3.818 1.00 0.00 O ATOM 1337 CB SER A 86 -8.583 0.734 3.311 1.00 0.00 C ATOM 1338 OG SER A 86 -7.219 1.112 3.361 1.00 0.00 O ATOM 0 H SER A 86 -8.493 -2.132 3.475 1.00 0.00 H new ATOM 0 HA SER A 86 -8.624 0.105 5.369 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.812 0.316 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.212 1.615 3.437 1.00 0.00 H new ATOM 0 HG SER A 86 -6.710 0.589 2.707 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.111 0.348 5.082 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.557 0.274 5.191 1.00 0.00 C ATOM 1346 C GLN A 87 -13.199 1.410 4.400 1.00 0.00 C ATOM 1347 O GLN A 87 -12.778 2.563 4.502 1.00 0.00 O ATOM 1348 CB GLN A 87 -12.975 0.319 6.668 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.396 0.812 6.912 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.467 2.321 7.046 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -14.277 2.869 8.132 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.758 2.999 5.944 1.00 0.00 N ATOM 0 H GLN A 87 -10.695 1.141 5.571 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.904 -0.670 4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.874 -0.681 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.283 0.965 7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.035 0.492 6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.788 0.350 7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.908 2.504 5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.832 4.016 5.975 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.202 1.073 3.594 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.914 2.063 2.791 1.00 0.00 C ATOM 1363 C ILE A 88 -16.415 1.961 3.034 1.00 0.00 C ATOM 1364 O ILE A 88 -17.110 1.167 2.399 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.631 1.898 1.284 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.695 0.426 0.884 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.275 2.491 0.930 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.474 0.182 -0.388 1.00 0.00 C ATOM 0 H ILE A 88 -14.541 0.118 3.479 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.553 3.044 3.099 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.398 2.437 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.681 0.047 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.150 -0.143 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.091 2.366 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.266 3.552 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.496 1.980 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.479 -0.885 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.499 0.530 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -15.007 0.724 -1.210 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.908 2.768 3.967 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.323 2.762 4.312 1.00 0.00 C ATOM 1382 C GLU A 89 -19.193 3.207 3.146 1.00 0.00 C ATOM 1383 O GLU A 89 -18.703 3.490 2.052 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.584 3.662 5.518 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.216 3.018 6.841 1.00 0.00 C ATOM 1386 CD GLU A 89 -18.437 3.939 8.025 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.573 3.975 8.543 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -17.475 4.622 8.434 1.00 0.00 O ATOM 0 H GLU A 89 -16.347 3.435 4.498 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.588 1.734 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.017 4.586 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.639 3.935 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.807 2.112 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.170 2.714 6.813 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.492 3.261 3.402 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.465 3.664 2.398 1.00 0.00 C ATOM 1397 C PHE A 90 -22.450 4.659 2.994 1.00 0.00 C ATOM 1398 O PHE A 90 -22.393 4.959 4.187 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.210 2.441 1.866 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.296 1.344 1.402 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.769 1.357 0.120 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.964 0.298 2.249 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.929 0.347 -0.309 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -20.125 -0.715 1.825 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.607 -0.690 0.544 1.00 0.00 C ATOM 0 H PHE A 90 -20.900 3.028 4.307 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.939 4.142 1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.863 2.054 2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.850 2.746 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.018 2.166 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.365 0.274 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.525 0.369 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.874 -1.525 2.494 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.951 -1.481 0.210 1.00 0.00 H new ATOM 1415 N SER A 91 -23.352 5.170 2.167 1.00 0.00 N ATOM 1416 CA SER A 91 -24.338 6.132 2.638 1.00 0.00 C ATOM 1417 C SER A 91 -25.577 6.143 1.759 1.00 0.00 C ATOM 1418 O SER A 91 -25.547 6.620 0.628 1.00 0.00 O ATOM 1419 CB SER A 91 -23.737 7.532 2.696 1.00 0.00 C ATOM 1420 OG SER A 91 -22.679 7.600 3.637 1.00 0.00 O ATOM 0 H SER A 91 -23.421 4.937 1.176 1.00 0.00 H new ATOM 0 HA SER A 91 -24.635 5.825 3.641 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.368 7.813 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.511 8.252 2.963 1.00 0.00 H new ATOM 0 HG SER A 91 -22.550 6.720 4.048 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.669 5.629 2.300 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.922 5.604 1.559 1.00 0.00 C ATOM 1428 C CYS A 92 -28.636 6.938 1.742 1.00 0.00 C ATOM 1429 O CYS A 92 -29.035 7.288 2.853 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.815 4.442 2.012 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.191 2.791 1.553 1.00 0.00 S ATOM 0 H CYS A 92 -26.716 5.228 3.237 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.705 5.450 0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.927 4.487 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.808 4.574 1.583 1.00 0.00 H new ATOM 1436 N SER A 93 -28.783 7.682 0.648 1.00 0.00 N ATOM 1437 CA SER A 93 -29.421 9.000 0.692 1.00 0.00 C ATOM 1438 C SER A 93 -30.733 8.984 1.471 1.00 0.00 C ATOM 1439 O SER A 93 -31.288 7.924 1.759 1.00 0.00 O ATOM 1440 CB SER A 93 -29.681 9.520 -0.721 1.00 0.00 C ATOM 1441 OG SER A 93 -28.491 10.008 -1.313 1.00 0.00 O ATOM 0 H SER A 93 -28.470 7.397 -0.280 1.00 0.00 H new ATOM 0 HA SER A 93 -28.728 9.664 1.210 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.095 8.720 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.426 10.315 -0.688 1.00 0.00 H new ATOM 0 HG SER A 93 -28.685 10.333 -2.217 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.215 10.182 1.802 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.464 10.345 2.540 1.00 0.00 C ATOM 1449 C GLU A 94 -33.543 9.411 2.001 1.00 0.00 C ATOM 1450 O GLU A 94 -33.552 9.065 0.820 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.932 11.800 2.451 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.400 11.995 2.789 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.802 13.456 2.834 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.005 14.050 1.754 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.914 14.006 3.950 1.00 0.00 O ATOM 0 H GLU A 94 -30.753 11.060 1.567 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.285 10.087 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.330 12.407 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.749 12.169 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.011 11.477 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.610 11.535 3.754 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.454 9.016 2.885 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.532 8.126 2.501 1.00 0.00 C ATOM 1464 C GLY A 95 -35.080 6.687 2.376 1.00 0.00 C ATOM 1465 O GLY A 95 -35.830 5.771 2.706 1.00 0.00 O ATOM 0 H GLY A 95 -34.463 9.299 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.331 8.189 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.950 8.456 1.550 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.856 6.475 1.909 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.343 5.122 1.737 1.00 0.00 C ATOM 1471 C PHE A 96 -32.263 4.845 2.779 1.00 0.00 C ATOM 1472 O PHE A 96 -31.318 5.620 2.922 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.769 4.934 0.329 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.643 5.477 -0.767 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -33.518 6.793 -1.183 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -34.586 4.671 -1.384 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.318 7.295 -2.192 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -35.389 5.168 -2.394 1.00 0.00 C ATOM 1479 CZ PHE A 96 -35.254 6.481 -2.799 1.00 0.00 C ATOM 0 H PHE A 96 -33.205 7.215 1.645 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.165 4.419 1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.795 5.421 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.604 3.871 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -32.787 7.434 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -34.695 3.643 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -34.211 8.323 -2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -36.121 4.530 -2.866 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.879 6.871 -3.589 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.411 3.746 3.513 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.442 3.388 4.543 1.00 0.00 C ATOM 1491 C PHE A 97 -30.454 2.347 4.033 1.00 0.00 C ATOM 1492 O PHE A 97 -30.626 1.766 2.962 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.156 2.894 5.807 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.840 1.563 5.665 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.961 1.424 4.864 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.369 0.453 6.349 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.599 0.204 4.744 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.004 -0.768 6.236 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.121 -0.893 5.433 1.00 0.00 C ATOM 0 H PHE A 97 -33.187 3.092 3.415 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.875 4.283 4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.429 2.828 6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.896 3.637 6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.342 2.280 4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.495 0.544 6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.470 0.109 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.628 -1.625 6.775 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.620 -1.847 5.344 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.419 2.127 4.836 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.360 1.185 4.503 1.00 0.00 C ATOM 1511 C LEU A 98 -28.727 -0.231 4.929 1.00 0.00 C ATOM 1512 O LEU A 98 -29.254 -0.447 6.020 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.061 1.614 5.189 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.777 1.013 4.611 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.672 -0.467 4.944 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.708 1.236 3.108 1.00 0.00 C ATOM 0 H LEU A 98 -29.292 2.596 5.733 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.225 1.187 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.987 2.700 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.123 1.347 6.244 1.00 0.00 H new ATOM 0 HG LEU A 98 -24.929 1.521 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.751 -0.870 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.663 -0.597 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.527 -0.996 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.788 0.801 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.565 0.761 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -25.722 2.305 2.898 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.441 -1.195 4.056 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.713 -2.606 4.315 1.00 0.00 C ATOM 1530 C ILE A 99 -27.803 -3.474 3.464 1.00 0.00 C ATOM 1531 O ILE A 99 -27.824 -3.422 2.238 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.162 -2.981 3.951 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.989 -1.725 3.710 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.780 -3.838 5.040 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.254 -1.966 2.918 1.00 0.00 C ATOM 0 H ILE A 99 -28.013 -1.018 3.147 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.544 -2.771 5.379 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.151 -3.564 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.253 -1.286 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.376 -0.994 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.804 -4.093 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.198 -4.752 5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.783 -3.286 5.980 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.787 -1.024 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.999 -2.376 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.889 -2.672 3.453 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.006 -4.280 4.152 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.061 -5.155 3.490 1.00 0.00 C ATOM 1549 C GLY A 100 -24.782 -5.299 4.285 1.00 0.00 C ATOM 1550 O GLY A 100 -24.459 -6.376 4.789 1.00 0.00 O ATOM 0 H GLY A 100 -26.999 -4.343 5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.513 -6.136 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.832 -4.761 2.500 1.00 0.00 H new ATOM 1554 N SER A 101 -24.065 -4.191 4.389 1.00 0.00 N ATOM 1555 CA SER A 101 -22.805 -4.119 5.113 1.00 0.00 C ATOM 1556 C SER A 101 -22.261 -2.708 4.984 1.00 0.00 C ATOM 1557 O SER A 101 -21.666 -2.359 3.964 1.00 0.00 O ATOM 1558 CB SER A 101 -21.797 -5.129 4.558 1.00 0.00 C ATOM 1559 OG SER A 101 -20.586 -5.099 5.294 1.00 0.00 O ATOM 0 H SER A 101 -24.345 -3.305 3.968 1.00 0.00 H new ATOM 0 HA SER A 101 -22.972 -4.364 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.224 -6.131 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.595 -4.907 3.510 1.00 0.00 H new ATOM 0 HG SER A 101 -19.972 -4.453 4.887 1.00 0.00 H new ATOM 1565 N THR A 102 -22.467 -1.890 6.010 1.00 0.00 N ATOM 1566 CA THR A 102 -22.033 -0.505 5.972 1.00 0.00 C ATOM 1567 C THR A 102 -20.526 -0.386 5.862 1.00 0.00 C ATOM 1568 O THR A 102 -19.997 0.709 5.684 1.00 0.00 O ATOM 1569 CB THR A 102 -22.506 0.267 7.218 1.00 0.00 C ATOM 1570 OG1 THR A 102 -23.334 -0.573 8.031 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.278 1.512 6.821 1.00 0.00 C ATOM 0 H THR A 102 -22.931 -2.165 6.876 1.00 0.00 H new ATOM 0 HA THR A 102 -22.486 -0.068 5.082 1.00 0.00 H new ATOM 0 HB THR A 102 -21.626 0.569 7.786 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.629 -0.075 8.822 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.602 2.041 7.718 1.00 0.00 H new ATOM 0 HG22 THR A 102 -22.637 2.164 6.227 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.150 1.227 6.233 1.00 0.00 H new ATOM 1579 N THR A 103 -19.835 -1.506 5.970 1.00 0.00 N ATOM 1580 CA THR A 103 -18.393 -1.503 5.866 1.00 0.00 C ATOM 1581 C THR A 103 -17.943 -2.355 4.693 1.00 0.00 C ATOM 1582 O THR A 103 -18.655 -3.261 4.261 1.00 0.00 O ATOM 1583 CB THR A 103 -17.744 -2.008 7.155 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.294 -3.278 7.525 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.949 -1.007 8.281 1.00 0.00 C ATOM 0 H THR A 103 -20.250 -2.424 6.129 1.00 0.00 H new ATOM 0 HA THR A 103 -18.074 -0.474 5.702 1.00 0.00 H new ATOM 0 HB THR A 103 -16.675 -2.124 6.978 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.869 -3.591 8.351 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.481 -1.382 9.191 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.497 -0.054 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.016 -0.867 8.453 1.00 0.00 H new ATOM 1593 N SER A 104 -16.757 -2.061 4.179 1.00 0.00 N ATOM 1594 CA SER A 104 -16.184 -2.817 3.081 1.00 0.00 C ATOM 1595 C SER A 104 -14.667 -2.835 3.243 1.00 0.00 C ATOM 1596 O SER A 104 -14.013 -1.798 3.146 1.00 0.00 O ATOM 1597 CB SER A 104 -16.575 -2.203 1.735 1.00 0.00 C ATOM 1598 OG SER A 104 -16.015 -2.933 0.660 1.00 0.00 O ATOM 0 H SER A 104 -16.170 -1.296 4.511 1.00 0.00 H new ATOM 0 HA SER A 104 -16.569 -3.837 3.100 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.661 -2.187 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.236 -1.168 1.692 1.00 0.00 H new ATOM 0 HG SER A 104 -15.069 -2.698 0.563 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.112 -4.016 3.489 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.673 -4.165 3.699 1.00 0.00 C ATOM 1606 C ARG A 105 -11.995 -4.823 2.503 1.00 0.00 C ATOM 1607 O ARG A 105 -12.586 -5.656 1.816 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.410 -4.980 4.967 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.100 -4.416 6.198 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.800 -5.241 7.439 1.00 0.00 C ATOM 1611 NE ARG A 105 -13.232 -6.627 7.292 1.00 0.00 N ATOM 1612 CZ ARG A 105 -13.053 -7.559 8.224 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.459 -7.250 9.371 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.472 -8.799 8.014 1.00 0.00 N ATOM 0 H ARG A 105 -14.637 -4.888 3.548 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.248 -3.168 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.746 -6.005 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.336 -5.021 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.776 -3.388 6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.177 -4.388 6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.729 -5.215 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.298 -4.795 8.300 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.698 -6.896 6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.139 -6.296 9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.323 -7.967 10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.933 -9.040 7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.334 -9.512 8.730 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.741 -4.449 2.281 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.958 -4.969 1.168 1.00 0.00 C ATOM 1630 C CYS A 106 -9.121 -6.162 1.598 1.00 0.00 C ATOM 1631 O CYS A 106 -8.247 -6.047 2.457 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.042 -3.876 0.613 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.601 -3.164 -0.968 1.00 0.00 S ATOM 0 H CYS A 106 -10.240 -3.779 2.865 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.652 -5.293 0.392 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.961 -3.077 1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.042 -4.289 0.479 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.401 -7.309 0.997 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.704 -8.537 1.331 1.00 0.00 C ATOM 1640 C GLU A 107 -7.985 -9.084 0.108 1.00 0.00 C ATOM 1641 O GLU A 107 -8.064 -8.497 -0.969 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.704 -9.552 1.879 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.063 -10.701 2.640 1.00 0.00 C ATOM 1644 CD GLU A 107 -10.080 -11.700 3.153 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -10.658 -11.456 4.233 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -10.299 -12.726 2.475 1.00 0.00 O ATOM 0 H GLU A 107 -10.111 -7.412 0.272 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.954 -8.335 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.404 -9.038 2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.286 -9.957 1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.354 -11.212 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.495 -10.303 3.480 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.266 -10.188 0.276 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.533 -10.774 -0.837 1.00 0.00 C ATOM 1655 C VAL A 108 -6.679 -12.285 -0.945 1.00 0.00 C ATOM 1656 O VAL A 108 -6.528 -13.023 0.029 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.037 -10.430 -0.761 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.227 -11.315 -1.699 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.827 -8.968 -1.093 1.00 0.00 C ATOM 0 H VAL A 108 -7.176 -10.689 1.160 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.981 -10.334 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.689 -10.615 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.172 -11.052 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.360 -12.360 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.568 -11.167 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.765 -8.731 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.191 -8.768 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.374 -8.351 -0.380 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.977 -12.717 -2.163 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.112 -14.133 -2.463 1.00 0.00 C ATOM 1671 C GLN A 109 -5.829 -14.657 -3.102 1.00 0.00 C ATOM 1672 O GLN A 109 -5.655 -14.579 -4.319 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.304 -14.373 -3.395 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.515 -13.500 -3.085 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.060 -13.717 -1.686 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -9.935 -14.804 -1.120 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -10.680 -12.683 -1.121 1.00 0.00 N ATOM 0 H GLN A 109 -7.130 -12.102 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.288 -14.671 -1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.991 -14.192 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.598 -15.421 -3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.240 -12.452 -3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.301 -13.707 -3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.762 -11.800 -1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.073 -12.774 -0.184 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.933 -15.186 -2.269 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.654 -15.713 -2.738 1.00 0.00 C ATOM 1688 C ASP A 110 -2.778 -14.598 -3.306 1.00 0.00 C ATOM 1689 O ASP A 110 -2.031 -13.950 -2.573 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.875 -16.810 -3.779 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.328 -18.115 -3.155 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -3.457 -18.897 -2.717 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -5.552 -18.355 -3.102 1.00 0.00 O ATOM 0 H ASP A 110 -5.072 -15.261 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.133 -16.148 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.621 -16.477 -4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.949 -16.976 -4.330 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.874 -14.380 -4.610 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.099 -13.341 -5.275 1.00 0.00 C ATOM 1700 C ARG A 111 -3.011 -12.377 -6.020 1.00 0.00 C ATOM 1701 O ARG A 111 -2.546 -11.475 -6.719 1.00 0.00 O ATOM 1702 CB ARG A 111 -1.074 -13.963 -6.225 1.00 0.00 C ATOM 1703 CG ARG A 111 -1.617 -15.125 -7.042 1.00 0.00 C ATOM 1704 CD ARG A 111 -2.555 -14.654 -8.142 1.00 0.00 C ATOM 1705 NE ARG A 111 -3.025 -15.760 -8.972 1.00 0.00 N ATOM 1706 CZ ARG A 111 -3.952 -15.632 -9.917 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -4.507 -14.450 -10.150 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -4.324 -16.686 -10.632 1.00 0.00 N ATOM 0 H ARG A 111 -3.484 -14.911 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.562 -12.775 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -0.709 -13.193 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -0.218 -14.308 -5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -0.788 -15.677 -7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.146 -15.815 -6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.410 -14.147 -7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.042 -13.924 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.619 -16.683 -8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.223 -13.637 -9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.218 -14.354 -10.875 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.899 -17.597 -10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -5.035 -16.586 -11.356 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.310 -12.579 -5.861 1.00 0.00 N ATOM 1723 CA GLY A 112 -5.284 -11.721 -6.498 1.00 0.00 C ATOM 1724 C GLY A 112 -6.185 -11.070 -5.477 1.00 0.00 C ATOM 1725 O GLY A 112 -7.114 -11.699 -4.970 1.00 0.00 O ATOM 0 H GLY A 112 -4.709 -13.329 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.772 -10.953 -7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.883 -12.303 -7.198 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.897 -9.811 -5.170 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.673 -9.063 -4.185 1.00 0.00 C ATOM 1731 C VAL A 113 -8.153 -9.341 -4.354 1.00 0.00 C ATOM 1732 O VAL A 113 -8.664 -9.360 -5.473 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.441 -7.549 -4.308 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -6.379 -6.882 -2.945 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.175 -7.280 -5.093 1.00 0.00 C ATOM 0 H VAL A 113 -5.130 -9.285 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.339 -9.392 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.288 -7.119 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.214 -5.812 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.319 -7.045 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.560 -7.310 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.019 -6.204 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.326 -7.732 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.267 -7.710 -6.090 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.838 -9.557 -3.249 1.00 0.00 N ATOM 1746 CA GLY A 114 -10.247 -9.840 -3.353 1.00 0.00 C ATOM 1747 C GLY A 114 -11.093 -8.818 -2.625 1.00 0.00 C ATOM 1748 O GLY A 114 -10.711 -8.350 -1.552 1.00 0.00 O ATOM 0 H GLY A 114 -8.456 -9.543 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.534 -9.864 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.447 -10.831 -2.946 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.238 -8.464 -3.189 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.132 -7.508 -2.547 1.00 0.00 C ATOM 1754 C TRP A 115 -14.132 -8.234 -1.657 1.00 0.00 C ATOM 1755 O TRP A 115 -14.930 -9.042 -2.134 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.878 -6.653 -3.577 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.514 -5.199 -3.521 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.257 -4.377 -4.580 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.365 -4.391 -2.344 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.960 -3.110 -4.133 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.019 -3.096 -2.769 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.491 -4.636 -0.975 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.799 -2.051 -1.877 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.271 -3.597 -0.091 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -12.928 -2.319 -0.544 1.00 0.00 C ATOM 0 H TRP A 115 -12.570 -8.821 -4.085 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.519 -6.844 -1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.667 -7.034 -4.576 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.951 -6.758 -3.416 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.283 -4.677 -5.617 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.733 -2.311 -4.725 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.755 -5.619 -0.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.536 -1.063 -2.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.366 -3.775 0.970 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -12.762 -1.529 0.174 1.00 0.00 H new ATOM 1776 N SER A 116 -14.082 -7.945 -0.361 1.00 0.00 N ATOM 1777 CA SER A 116 -14.978 -8.579 0.599 1.00 0.00 C ATOM 1778 C SER A 116 -16.441 -8.382 0.203 1.00 0.00 C ATOM 1779 O SER A 116 -17.100 -9.316 -0.252 1.00 0.00 O ATOM 1780 CB SER A 116 -14.736 -8.017 2.000 1.00 0.00 C ATOM 1781 OG SER A 116 -13.401 -8.246 2.417 1.00 0.00 O ATOM 0 H SER A 116 -13.430 -7.276 0.049 1.00 0.00 H new ATOM 0 HA SER A 116 -14.766 -9.648 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.944 -6.947 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.425 -8.481 2.706 1.00 0.00 H new ATOM 0 HG SER A 116 -12.879 -7.423 2.310 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.941 -7.160 0.378 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.327 -6.845 0.041 1.00 0.00 C ATOM 1789 C HIS A 117 -18.424 -5.510 -0.700 1.00 0.00 C ATOM 1790 O HIS A 117 -17.849 -4.512 -0.269 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.184 -6.802 1.308 1.00 0.00 C ATOM 1792 CG HIS A 117 -19.291 -8.122 2.007 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -20.338 -8.997 1.809 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -18.475 -8.715 2.910 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -20.162 -10.069 2.559 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -19.039 -9.925 3.236 1.00 0.00 N ATOM 0 H HIS A 117 -16.408 -6.374 0.750 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.700 -7.630 -0.617 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.763 -6.069 1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.184 -6.456 1.048 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -17.553 -8.312 3.301 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -20.825 -10.920 2.610 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -18.652 -10.602 3.894 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.157 -5.479 -1.829 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.331 -4.270 -2.633 1.00 0.00 C ATOM 1807 C PRO A 118 -20.530 -3.431 -2.185 1.00 0.00 C ATOM 1808 O PRO A 118 -20.923 -3.464 -1.018 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.573 -4.845 -4.024 1.00 0.00 C ATOM 1810 CG PRO A 118 -20.311 -6.120 -3.778 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.869 -6.626 -2.424 1.00 0.00 C ATOM 0 HA PRO A 118 -18.480 -3.592 -2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.157 -4.161 -4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.634 -5.024 -4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.388 -5.953 -3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -20.089 -6.851 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.720 -6.928 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.218 -7.496 -2.516 1.00 0.00 H new ATOM 1819 N LEU A 119 -21.101 -2.677 -3.125 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.254 -1.827 -2.865 1.00 0.00 C ATOM 1821 C LEU A 119 -23.361 -2.586 -2.132 1.00 0.00 C ATOM 1822 O LEU A 119 -23.826 -3.627 -2.596 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.777 -1.288 -4.193 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.720 -0.668 -5.109 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.656 0.035 -4.290 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -21.100 -1.722 -6.015 1.00 0.00 C ATOM 0 H LEU A 119 -20.773 -2.641 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.943 -1.005 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.266 -2.101 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.540 -0.538 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 119 -22.208 0.072 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.912 0.470 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -21.117 0.824 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -20.173 -0.683 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.352 -1.256 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.627 -2.492 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.877 -2.173 -6.632 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.795 -2.066 -0.969 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.858 -2.683 -0.163 1.00 0.00 C ATOM 1840 C PRO A 120 -26.226 -2.571 -0.832 1.00 0.00 C ATOM 1841 O PRO A 120 -26.345 -2.732 -2.047 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.826 -1.875 1.137 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.278 -0.551 0.738 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.280 -0.834 -0.346 1.00 0.00 C ATOM 0 HA PRO A 120 -24.699 -3.752 -0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.822 -1.779 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.198 -2.355 1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.069 0.108 0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.806 -0.052 1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.222 -0.015 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.277 -0.976 0.058 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.259 -2.293 -0.037 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.616 -2.162 -0.558 1.00 0.00 C ATOM 1854 C GLN A 121 -29.299 -0.922 0.009 1.00 0.00 C ATOM 1855 O GLN A 121 -29.512 -0.821 1.217 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.444 -3.397 -0.196 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.794 -3.455 -0.892 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.712 -4.047 -2.285 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -31.480 -3.678 -3.176 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -29.786 -4.978 -2.481 1.00 0.00 N ATOM 0 H GLN A 121 -27.180 -2.154 0.970 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.550 -2.068 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.876 -4.292 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.600 -3.415 0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -31.483 -4.048 -0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -31.209 -2.449 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.171 -5.254 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -29.690 -5.417 -3.397 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.638 0.023 -0.862 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.316 1.236 -0.423 1.00 0.00 C ATOM 1871 C CYS A 122 -31.801 1.151 -0.765 1.00 0.00 C ATOM 1872 O CYS A 122 -32.189 1.268 -1.927 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.693 2.475 -1.069 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.018 2.877 -0.469 1.00 0.00 S ATOM 0 H CYS A 122 -29.457 -0.027 -1.865 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.201 1.325 0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.653 2.326 -2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.345 3.330 -0.889 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.626 0.941 0.258 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.069 0.822 0.068 1.00 0.00 C ATOM 1881 C GLU A 123 -34.800 1.887 0.877 1.00 0.00 C ATOM 1882 O GLU A 123 -34.398 2.239 1.985 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.543 -0.569 0.492 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.024 -0.810 0.243 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.377 -0.794 -1.231 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.203 -1.837 -1.895 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.829 0.262 -1.722 1.00 0.00 O ATOM 0 H GLU A 123 -32.320 0.850 1.227 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.293 0.968 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.966 -1.320 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.334 -0.707 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.309 -1.771 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.605 -0.046 0.760 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.886 2.387 0.294 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.695 3.429 0.913 1.00 0.00 C ATOM 1896 C ILE A 124 -37.369 2.941 2.193 1.00 0.00 C ATOM 1897 O ILE A 124 -37.649 1.752 2.349 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.778 3.934 -0.063 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.456 5.192 0.486 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.807 2.844 -0.328 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -37.664 6.458 0.245 1.00 0.00 C ATOM 0 H ILE A 124 -36.228 2.082 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.017 4.244 1.165 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.296 4.190 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.439 5.295 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.616 5.071 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.563 3.218 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.313 1.976 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.282 2.557 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -38.204 7.309 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -36.690 6.375 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -37.527 6.603 -0.827 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.624 3.875 3.103 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.278 3.566 4.368 1.00 0.00 C ATOM 1915 C LEU A 125 -39.788 3.481 4.173 1.00 0.00 C ATOM 1916 O LEU A 125 -40.402 2.441 4.416 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.952 4.642 5.408 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.467 4.799 5.748 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.253 6.009 6.645 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.935 3.541 6.417 1.00 0.00 C ATOM 0 H LEU A 125 -37.385 4.860 2.986 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.910 2.604 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.327 5.599 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.495 4.413 6.325 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.916 4.953 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.193 6.107 6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.596 6.907 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.817 5.881 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.878 3.672 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.490 3.356 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.055 2.692 5.744 1.00 0.00 H new ATOM 1932 N GLU A 126 -40.376 4.587 3.729 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.813 4.657 3.487 1.00 0.00 C ATOM 1934 C GLU A 126 -42.096 5.307 2.136 1.00 0.00 C ATOM 1935 O GLU A 126 -41.295 6.098 1.639 1.00 0.00 O ATOM 1936 CB GLU A 126 -42.502 5.445 4.604 1.00 0.00 C ATOM 1937 CG GLU A 126 -41.870 6.801 4.871 1.00 0.00 C ATOM 1938 CD GLU A 126 -42.635 7.607 5.902 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -43.605 8.295 5.517 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -42.263 7.555 7.093 1.00 0.00 O ATOM 0 H GLU A 126 -39.876 5.453 3.528 1.00 0.00 H new ATOM 0 HA GLU A 126 -42.210 3.642 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -43.551 5.587 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -42.479 4.856 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -40.845 6.659 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -41.820 7.364 3.939 1.00 0.00 H new ATOM 1947 N HIS A 127 -43.239 4.970 1.547 1.00 0.00 N ATOM 1948 CA HIS A 127 -43.619 5.521 0.250 1.00 0.00 C ATOM 1949 C HIS A 127 -44.406 6.818 0.412 1.00 0.00 C ATOM 1950 O HIS A 127 -44.871 7.143 1.504 1.00 0.00 O ATOM 1951 CB HIS A 127 -44.444 4.504 -0.541 1.00 0.00 C ATOM 1952 CG HIS A 127 -43.665 3.295 -0.954 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -43.735 2.089 -0.288 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -42.797 3.107 -1.977 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -42.942 1.214 -0.881 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -42.363 1.806 -1.909 1.00 0.00 N ATOM 0 H HIS A 127 -43.917 4.320 1.945 1.00 0.00 H new ATOM 0 HA HIS A 127 -42.704 5.742 -0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -45.295 4.189 0.064 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -44.847 4.988 -1.431 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -42.501 3.843 -2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -42.793 0.189 -0.576 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -41.701 1.368 -2.549 1.00 0.00 H new ATOM 1965 N HIS A 128 -44.549 7.552 -0.688 1.00 0.00 N ATOM 1966 CA HIS A 128 -45.278 8.817 -0.678 1.00 0.00 C ATOM 1967 C HIS A 128 -46.397 8.801 -1.715 1.00 0.00 C ATOM 1968 O HIS A 128 -46.396 7.974 -2.628 1.00 0.00 O ATOM 1969 CB HIS A 128 -44.324 9.980 -0.961 1.00 0.00 C ATOM 1970 CG HIS A 128 -43.139 10.022 -0.045 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -42.976 10.980 0.933 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -42.049 9.220 0.032 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -41.838 10.766 1.572 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -41.259 9.704 1.044 1.00 0.00 N ATOM 0 H HIS A 128 -44.169 7.292 -1.598 1.00 0.00 H new ATOM 0 HA HIS A 128 -45.719 8.950 0.310 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -43.974 9.909 -1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -44.873 10.918 -0.875 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -41.841 8.360 -0.588 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -41.449 11.359 2.387 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -40.368 9.307 1.341 1.00 0.00 H new ATOM 1983 N HIS A 129 -47.351 9.717 -1.572 1.00 0.00 N ATOM 1984 CA HIS A 129 -48.472 9.802 -2.502 1.00 0.00 C ATOM 1985 C HIS A 129 -48.927 11.247 -2.690 1.00 0.00 C ATOM 1986 O HIS A 129 -48.558 11.901 -3.665 1.00 0.00 O ATOM 1987 CB HIS A 129 -49.639 8.945 -2.006 1.00 0.00 C ATOM 1988 CG HIS A 129 -50.865 9.042 -2.862 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -51.032 8.320 -4.024 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -51.988 9.785 -2.718 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -52.205 8.615 -4.559 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -52.805 9.500 -3.785 1.00 0.00 N ATOM 0 H HIS A 129 -47.370 10.409 -0.823 1.00 0.00 H new ATOM 0 HA HIS A 129 -48.135 9.424 -3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -49.320 7.904 -1.961 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -49.892 9.245 -0.989 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -52.202 10.474 -1.914 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -52.604 8.202 -5.474 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -53.726 9.906 -3.952 1.00 0.00 H new ATOM 2001 N HIS A 130 -49.729 11.740 -1.750 1.00 0.00 N ATOM 2002 CA HIS A 130 -50.240 13.105 -1.819 1.00 0.00 C ATOM 2003 C HIS A 130 -49.179 14.109 -1.379 1.00 0.00 C ATOM 2004 O HIS A 130 -49.114 15.224 -1.897 1.00 0.00 O ATOM 2005 CB HIS A 130 -51.490 13.248 -0.948 1.00 0.00 C ATOM 2006 CG HIS A 130 -52.162 14.581 -1.072 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -53.229 14.809 -1.914 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -51.917 15.760 -0.451 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -53.611 16.069 -1.808 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -52.832 16.667 -0.926 1.00 0.00 N ATOM 0 H HIS A 130 -50.039 11.215 -0.932 1.00 0.00 H new ATOM 0 HA HIS A 130 -50.502 13.316 -2.856 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -52.201 12.467 -1.217 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -51.216 13.085 0.094 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -51.146 15.951 0.281 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -54.422 16.531 -2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -52.899 17.645 -0.643 1.00 0.00 H new ATOM 2019 N HIS A 131 -48.348 13.705 -0.424 1.00 0.00 N ATOM 2020 CA HIS A 131 -47.291 14.572 0.083 1.00 0.00 C ATOM 2021 C HIS A 131 -46.199 14.761 -0.967 1.00 0.00 C ATOM 2022 O HIS A 131 -45.317 15.606 -0.816 1.00 0.00 O ATOM 2023 CB HIS A 131 -46.693 13.988 1.365 1.00 0.00 C ATOM 2024 CG HIS A 131 -45.754 14.919 2.068 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -44.396 14.945 1.826 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -45.984 15.864 3.010 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -43.833 15.864 2.590 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -44.775 16.436 3.317 1.00 0.00 N ATOM 0 H HIS A 131 -48.386 12.784 0.014 1.00 0.00 H new ATOM 0 HA HIS A 131 -47.726 15.545 0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -47.502 13.721 2.044 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -46.164 13.067 1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -46.941 16.120 3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -42.781 16.106 2.616 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -44.628 17.182 3.997 1.00 0.00 H new ATOM 2037 N HIS A 132 -46.271 13.970 -2.033 1.00 0.00 N ATOM 2038 CA HIS A 132 -45.295 14.046 -3.115 1.00 0.00 C ATOM 2039 C HIS A 132 -45.244 15.453 -3.702 1.00 0.00 C ATOM 2040 O HIS A 132 -44.352 16.230 -3.299 1.00 0.00 O ATOM 2041 CB HIS A 132 -45.641 13.032 -4.209 1.00 0.00 C ATOM 2042 CG HIS A 132 -44.676 13.029 -5.355 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -43.631 12.136 -5.455 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -44.605 13.815 -6.456 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -42.958 12.372 -6.567 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -43.529 13.384 -7.192 1.00 0.00 N ATOM 2047 OXT HIS A 132 -46.099 15.769 -4.556 1.00 0.00 O ATOM 0 H HIS A 132 -46.997 13.267 -2.171 1.00 0.00 H new ATOM 0 HA HIS A 132 -44.313 13.809 -2.707 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -45.673 12.035 -3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -46.640 13.246 -4.588 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -45.270 14.628 -6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -42.088 11.829 -6.907 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -43.221 13.782 -8.079 1.00 0.00 H new TER 2056 HIS A 132