USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 934 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 99 SER OG : rot -91:sc= -4.34! USER MOD Set 1.2: A 115 GLN : amide:sc= -2.85 K(o=-7.2,f=-7.8) USER MOD Set 2.1: A 85 GLN : amide:sc= 0.608 K(o=0.093,f=-3.3) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 170:sc= -1.34 (180deg=-1.87) USER MOD Set 2.3: A 101 SER OG : rot 7:sc= 0.827 USER MOD Set 3.1: A 73 MET CE :methyl -111:sc= -0.0799 (180deg=-0.348) USER MOD Set 3.2: A 89 SER OG : rot 180:sc= 0.00682 USER MOD Set 4.1: A 65 ASN : amide:sc= 0.971 K(o=1.6,f=0.049) USER MOD Set 4.2: A 88 TYR OH : rot 30:sc= 0.588 USER MOD Set 5.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 62 SER OG : rot 180:sc= 0.075 USER MOD Set 6.1: A 14 THR OG1 : rot 90:sc= -0.808 USER MOD Set 6.2: A 15 GLN :FLIP amide:sc= -14.6! C(o=-19!,f=-15!) USER MOD Single : A 1 GLN :FLIP amide:sc= -0.176 F(o=-0.7,f=-0.18) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.308 F(o=-0.82,f=-0.31) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 89:sc= -0.591 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -123:sc= 0.376 USER MOD Single : A 42 SER OG : rot 180:sc= -0.154 USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00196) USER MOD Single : A 48 ASN : amide:sc= -0.215 K(o=-0.21,f=-0.99) USER MOD Single : A 49 SER OG : rot 44:sc= 0.509 USER MOD Single : A 52 THR OG1 : rot -24:sc= 0.654 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.7!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.937 F(o=-3.2!,f=-0.94) USER MOD Single : A 84 SER OG : rot -160:sc= -0.432 USER MOD Single : A 91 THR OG1 : rot 12:sc= 1.98 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 66:sc= -4.03! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -1 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0551 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 24.968 -8.284 -15.978 1.00 0.00 N ATOM 2 CA GLN A 1 24.419 -9.616 -16.216 1.00 0.00 C ATOM 3 C GLN A 1 22.884 -9.528 -16.317 1.00 0.00 C ATOM 4 O GLN A 1 22.317 -9.669 -17.393 1.00 0.00 O ATOM 5 CB GLN A 1 24.849 -10.602 -15.103 1.00 0.00 C ATOM 6 CG GLN A 1 26.207 -11.286 -15.326 1.00 0.00 C ATOM 7 CD GLN A 1 27.210 -10.937 -14.240 1.00 0.00 C ATOM 8 OE1 GLN A 1 27.214 -9.676 -13.837 1.00 0.00 O flip ATOM 9 NE2 GLN A 1 28.017 -11.764 -13.823 1.00 0.00 N flip ATOM 0 H1 GLN A 1 26.004 -8.343 -15.910 1.00 0.00 H new ATOM 0 H2 GLN A 1 24.708 -7.656 -16.765 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.584 -7.904 -15.090 1.00 0.00 H new ATOM 0 HA GLN A 1 24.814 -9.999 -17.157 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.882 -10.064 -14.156 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.084 -11.372 -15.006 1.00 0.00 H new ATOM 0 HG2 GLN A 1 26.067 -12.367 -15.355 1.00 0.00 H new ATOM 0 HG3 GLN A 1 26.606 -10.990 -16.296 1.00 0.00 H new ATOM 0 HE21 GLN A 1 27.980 -12.726 -14.159 1.00 0.00 H new ATOM 0 HE22 GLN A 1 28.724 -11.488 -13.141 1.00 0.00 H new ATOM 18 N CYS A 2 22.237 -9.269 -15.180 1.00 0.00 N ATOM 19 CA CYS A 2 20.779 -9.087 -15.103 1.00 0.00 C ATOM 20 C CYS A 2 20.398 -7.707 -15.641 1.00 0.00 C ATOM 21 O CYS A 2 19.257 -7.465 -16.024 1.00 0.00 O ATOM 22 CB CYS A 2 20.306 -9.291 -13.669 1.00 0.00 C ATOM 23 SG CYS A 2 20.892 -10.869 -12.913 1.00 0.00 S ATOM 0 H CYS A 2 22.708 -9.178 -14.280 1.00 0.00 H new ATOM 0 HA CYS A 2 20.281 -9.832 -15.723 1.00 0.00 H new ATOM 0 HB2 CYS A 2 20.651 -8.456 -13.059 1.00 0.00 H new ATOM 0 HB3 CYS A 2 19.216 -9.271 -13.649 1.00 0.00 H new ATOM 28 N ASN A 3 21.391 -6.800 -15.646 1.00 0.00 N ATOM 29 CA ASN A 3 21.237 -5.446 -16.158 1.00 0.00 C ATOM 30 C ASN A 3 20.136 -4.622 -15.418 1.00 0.00 C ATOM 31 O ASN A 3 19.361 -3.905 -16.035 1.00 0.00 O ATOM 32 CB ASN A 3 20.968 -5.548 -17.662 1.00 0.00 C ATOM 33 CG ASN A 3 21.115 -4.242 -18.392 1.00 0.00 C ATOM 34 OD1 ASN A 3 20.017 -3.615 -18.597 1.00 0.00 O flip ATOM 35 ND2 ASN A 3 22.212 -3.828 -18.759 1.00 0.00 N flip ATOM 0 H ASN A 3 22.326 -6.997 -15.290 1.00 0.00 H new ATOM 0 HA ASN A 3 22.156 -4.890 -15.972 1.00 0.00 H new ATOM 0 HB2 ASN A 3 21.653 -6.276 -18.096 1.00 0.00 H new ATOM 0 HB3 ASN A 3 19.958 -5.929 -17.817 1.00 0.00 H new ATOM 0 HD21 ASN A 3 23.053 -4.372 -18.567 1.00 0.00 H new ATOM 0 HD22 ASN A 3 22.282 -2.940 -19.256 1.00 0.00 H new ATOM 42 N ALA A 4 20.104 -4.751 -14.073 1.00 0.00 N ATOM 43 CA ALA A 4 19.218 -3.943 -13.182 1.00 0.00 C ATOM 44 C ALA A 4 17.728 -4.206 -13.398 1.00 0.00 C ATOM 45 O ALA A 4 17.171 -3.848 -14.430 1.00 0.00 O ATOM 46 CB ALA A 4 19.527 -2.458 -13.309 1.00 0.00 C ATOM 0 H ALA A 4 20.689 -5.416 -13.567 1.00 0.00 H new ATOM 0 HA ALA A 4 19.439 -4.268 -12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 4 18.868 -1.892 -12.650 1.00 0.00 H new ATOM 0 HB2 ALA A 4 20.564 -2.277 -13.028 1.00 0.00 H new ATOM 0 HB3 ALA A 4 19.370 -2.140 -14.340 1.00 0.00 H new ATOM 52 N PRO A 5 17.062 -4.849 -12.412 1.00 0.00 N ATOM 53 CA PRO A 5 15.626 -5.236 -12.544 1.00 0.00 C ATOM 54 C PRO A 5 14.687 -4.076 -12.822 1.00 0.00 C ATOM 55 O PRO A 5 13.812 -4.169 -13.675 1.00 0.00 O ATOM 56 CB PRO A 5 15.304 -5.810 -11.172 1.00 0.00 C ATOM 57 CG PRO A 5 16.344 -5.248 -10.253 1.00 0.00 C ATOM 58 CD PRO A 5 17.597 -5.146 -11.064 1.00 0.00 C ATOM 0 HA PRO A 5 15.488 -5.912 -13.388 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.302 -5.525 -10.852 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.337 -6.899 -11.184 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.043 -4.271 -9.874 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.491 -5.894 -9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.255 -4.356 -10.702 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.172 -6.072 -11.047 1.00 0.00 H new ATOM 66 N GLU A 6 14.985 -2.971 -12.139 1.00 0.00 N ATOM 67 CA GLU A 6 14.251 -1.680 -12.137 1.00 0.00 C ATOM 68 C GLU A 6 13.895 -1.360 -10.690 1.00 0.00 C ATOM 69 O GLU A 6 14.460 -1.953 -9.766 1.00 0.00 O ATOM 70 CB GLU A 6 12.938 -1.646 -12.984 1.00 0.00 C ATOM 71 CG GLU A 6 11.769 -2.478 -12.421 1.00 0.00 C ATOM 72 CD GLU A 6 10.505 -2.388 -13.276 1.00 0.00 C ATOM 73 OE1 GLU A 6 10.267 -1.318 -13.891 1.00 0.00 O ATOM 74 OE2 GLU A 6 9.743 -3.374 -13.337 1.00 0.00 O ATOM 0 H GLU A 6 15.800 -2.939 -11.526 1.00 0.00 H new ATOM 0 HA GLU A 6 14.914 -0.950 -12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.613 -0.610 -13.078 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.164 -2.002 -13.989 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.076 -3.521 -12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.542 -2.138 -11.410 1.00 0.00 H new ATOM 81 N TRP A 7 12.982 -0.437 -10.485 1.00 0.00 N ATOM 82 CA TRP A 7 12.511 -0.134 -9.151 1.00 0.00 C ATOM 83 C TRP A 7 11.059 -0.553 -8.939 1.00 0.00 C ATOM 84 O TRP A 7 10.170 -0.200 -9.713 1.00 0.00 O ATOM 85 CB TRP A 7 12.753 1.339 -8.792 1.00 0.00 C ATOM 86 CG TRP A 7 12.200 1.721 -7.448 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.718 1.410 -6.228 1.00 0.00 C ATOM 88 CD2 TRP A 7 11.054 2.556 -7.191 1.00 0.00 C ATOM 89 NE1 TRP A 7 11.928 1.936 -5.236 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.908 2.649 -5.800 1.00 0.00 C ATOM 91 CE3 TRP A 7 10.116 3.202 -8.009 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.881 3.388 -5.200 1.00 0.00 C ATOM 93 CZ3 TRP A 7 9.102 3.937 -7.411 1.00 0.00 C ATOM 94 CH2 TRP A 7 8.987 4.013 -6.020 1.00 0.00 C ATOM 0 H TRP A 7 12.551 0.117 -11.225 1.00 0.00 H new ATOM 0 HA TRP A 7 13.102 -0.734 -8.458 1.00 0.00 H new ATOM 0 HB2 TRP A 7 13.825 1.538 -8.806 1.00 0.00 H new ATOM 0 HB3 TRP A 7 12.301 1.971 -9.556 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.617 0.835 -6.065 1.00 0.00 H new ATOM 0 HE1 TRP A 7 12.079 1.814 -4.235 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.181 3.129 -9.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.799 3.461 -4.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.389 4.460 -8.031 1.00 0.00 H new ATOM 0 HH2 TRP A 7 8.175 4.577 -5.586 1.00 0.00 H new ATOM 105 N LEU A 8 10.846 -1.293 -7.859 1.00 0.00 N ATOM 106 CA LEU A 8 9.530 -1.763 -7.453 1.00 0.00 C ATOM 107 C LEU A 8 9.111 -0.951 -6.231 1.00 0.00 C ATOM 108 O LEU A 8 9.736 -1.055 -5.188 1.00 0.00 O ATOM 109 CB LEU A 8 9.610 -3.258 -7.093 1.00 0.00 C ATOM 110 CG LEU A 8 8.277 -3.991 -6.893 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.465 -3.983 -8.173 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.523 -5.425 -6.443 1.00 0.00 C ATOM 0 H LEU A 8 11.594 -1.587 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 8 8.805 -1.640 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.164 -3.768 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.193 -3.357 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 8 7.714 -3.469 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.524 -4.508 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.260 -2.954 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.026 -4.482 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.568 -5.932 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.106 -5.949 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.071 -5.422 -5.501 1.00 0.00 H new ATOM 124 N PRO A 9 8.049 -0.128 -6.341 1.00 0.00 N ATOM 125 CA PRO A 9 7.675 0.805 -5.251 1.00 0.00 C ATOM 126 C PRO A 9 7.319 0.096 -3.939 1.00 0.00 C ATOM 127 O PRO A 9 7.510 0.641 -2.850 1.00 0.00 O ATOM 128 CB PRO A 9 6.369 1.454 -5.765 1.00 0.00 C ATOM 129 CG PRO A 9 6.012 0.773 -7.059 1.00 0.00 C ATOM 130 CD PRO A 9 7.212 0.020 -7.541 1.00 0.00 C ATOM 0 HA PRO A 9 8.504 1.480 -5.038 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.568 1.337 -5.035 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.506 2.524 -5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.172 0.094 -6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.701 1.508 -7.802 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.934 -0.949 -7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.735 0.565 -8.327 1.00 0.00 H new ATOM 138 N PHE A 10 6.815 -1.114 -4.057 1.00 0.00 N ATOM 139 CA PHE A 10 6.333 -1.888 -2.907 1.00 0.00 C ATOM 140 C PHE A 10 7.515 -2.190 -1.995 1.00 0.00 C ATOM 141 O PHE A 10 7.444 -2.108 -0.766 1.00 0.00 O ATOM 142 CB PHE A 10 5.874 -3.240 -3.363 1.00 0.00 C ATOM 143 CG PHE A 10 4.839 -3.254 -4.425 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.010 -2.168 -4.691 1.00 0.00 C ATOM 145 CD2 PHE A 10 4.759 -4.361 -5.221 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.114 -2.225 -5.739 1.00 0.00 C ATOM 147 CE2 PHE A 10 3.886 -4.427 -6.264 1.00 0.00 C ATOM 148 CZ PHE A 10 3.056 -3.358 -6.533 1.00 0.00 C ATOM 0 H PHE A 10 6.723 -1.599 -4.949 1.00 0.00 H new ATOM 0 HA PHE A 10 5.540 -1.319 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.742 -3.794 -3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.486 -3.780 -2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.068 -1.281 -4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.403 -5.204 -5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.460 -1.389 -5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.843 -5.314 -6.879 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.363 -3.405 -7.360 1.00 0.00 H new ATOM 158 N ALA A 11 8.616 -2.542 -2.671 1.00 0.00 N ATOM 159 CA ALA A 11 9.773 -3.175 -2.074 1.00 0.00 C ATOM 160 C ALA A 11 11.004 -2.277 -1.977 1.00 0.00 C ATOM 161 O ALA A 11 11.197 -1.371 -2.779 1.00 0.00 O ATOM 162 CB ALA A 11 10.094 -4.417 -2.891 1.00 0.00 C ATOM 0 H ALA A 11 8.718 -2.385 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 11 9.519 -3.418 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.964 -4.918 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.240 -5.095 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.308 -4.130 -3.920 1.00 0.00 H new ATOM 168 N ARG A 12 11.825 -2.537 -0.958 1.00 0.00 N ATOM 169 CA ARG A 12 13.061 -1.786 -0.745 1.00 0.00 C ATOM 170 C ARG A 12 14.264 -2.714 -0.487 1.00 0.00 C ATOM 171 O ARG A 12 14.594 -3.007 0.662 1.00 0.00 O ATOM 172 CB ARG A 12 12.916 -0.779 0.415 1.00 0.00 C ATOM 173 CG ARG A 12 12.081 0.454 0.079 1.00 0.00 C ATOM 174 CD ARG A 12 10.601 0.229 0.331 1.00 0.00 C ATOM 175 NE ARG A 12 9.807 1.405 -0.027 1.00 0.00 N ATOM 176 CZ ARG A 12 9.385 2.318 0.851 1.00 0.00 C ATOM 177 NH1 ARG A 12 9.738 2.230 2.129 1.00 0.00 N ATOM 178 NH2 ARG A 12 8.631 3.333 0.446 1.00 0.00 N ATOM 0 H ARG A 12 11.654 -3.266 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 12 13.250 -1.234 -1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.465 -1.287 1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.910 -0.456 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.426 1.298 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.234 0.720 -0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.260 -0.630 -0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.443 -0.011 1.383 1.00 0.00 H new ATOM 0 HE ARG A 12 9.561 1.535 -1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.333 1.463 2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.414 2.929 2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.373 3.416 -0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.310 4.030 1.118 1.00 0.00 H new ATOM 192 N PRO A 13 14.885 -3.249 -1.576 1.00 0.00 N ATOM 193 CA PRO A 13 16.093 -4.103 -1.490 1.00 0.00 C ATOM 194 C PRO A 13 17.307 -3.382 -0.968 1.00 0.00 C ATOM 195 O PRO A 13 17.515 -2.198 -1.225 1.00 0.00 O ATOM 196 CB PRO A 13 16.276 -4.617 -2.913 1.00 0.00 C ATOM 197 CG PRO A 13 15.719 -3.528 -3.743 1.00 0.00 C ATOM 198 CD PRO A 13 14.513 -3.011 -2.985 1.00 0.00 C ATOM 0 HA PRO A 13 15.968 -4.909 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.326 -4.801 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.746 -5.556 -3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.454 -2.737 -3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.434 -3.894 -4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.334 -1.954 -3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.603 -3.546 -3.259 1.00 0.00 H new ATOM 206 N THR A 14 18.110 -4.112 -0.243 1.00 0.00 N ATOM 207 CA THR A 14 19.257 -3.554 0.429 1.00 0.00 C ATOM 208 C THR A 14 20.497 -3.524 -0.471 1.00 0.00 C ATOM 209 O THR A 14 21.417 -2.739 -0.264 1.00 0.00 O ATOM 210 CB THR A 14 19.590 -4.404 1.680 1.00 0.00 C ATOM 211 OG1 THR A 14 20.363 -5.558 1.311 1.00 0.00 O ATOM 212 CG2 THR A 14 18.317 -4.910 2.309 1.00 0.00 C ATOM 0 H THR A 14 17.989 -5.115 -0.100 1.00 0.00 H new ATOM 0 HA THR A 14 19.002 -2.530 0.703 1.00 0.00 H new ATOM 0 HB THR A 14 20.148 -3.773 2.372 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.317 -5.338 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.558 -5.507 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.696 -4.064 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.775 -5.525 1.590 1.00 0.00 H new ATOM 220 N GLN A 15 20.498 -4.375 -1.477 1.00 0.00 N ATOM 221 CA GLN A 15 21.704 -4.611 -2.277 1.00 0.00 C ATOM 222 C GLN A 15 21.631 -3.851 -3.584 1.00 0.00 C ATOM 223 O GLN A 15 22.593 -3.302 -4.052 1.00 0.00 O ATOM 224 CB GLN A 15 21.854 -6.123 -2.517 1.00 0.00 C ATOM 225 CG GLN A 15 21.260 -6.977 -1.404 1.00 0.00 C ATOM 226 CD GLN A 15 19.836 -7.194 -1.719 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.605 -7.994 -2.672 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 18.950 -6.546 -1.178 1.00 0.00 N flip ATOM 0 H GLN A 15 19.685 -4.918 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 15 22.580 -4.248 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.372 -6.383 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.912 -6.363 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.785 -7.929 -1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.367 -6.479 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.177 -5.911 -0.412 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.984 -6.641 -1.493 1.00 0.00 H new ATOM 237 N LEU A 16 20.425 -3.728 -4.054 1.00 0.00 N ATOM 238 CA LEU A 16 20.056 -3.058 -5.290 1.00 0.00 C ATOM 239 C LEU A 16 20.401 -1.598 -5.315 1.00 0.00 C ATOM 240 O LEU A 16 20.590 -1.032 -6.380 1.00 0.00 O ATOM 241 CB LEU A 16 18.585 -3.310 -5.569 1.00 0.00 C ATOM 242 CG LEU A 16 17.919 -2.433 -6.618 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.804 -3.192 -7.320 1.00 0.00 C ATOM 244 CD2 LEU A 16 17.333 -1.210 -5.916 1.00 0.00 C ATOM 0 H LEU A 16 19.617 -4.112 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 16 20.656 -3.486 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.472 -4.350 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.038 -3.193 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 16 18.656 -2.135 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.340 -2.548 -8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.216 -4.075 -7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.056 -3.498 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.850 -0.566 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.600 -1.532 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 16 18.131 -0.658 -5.419 1.00 0.00 H new ATOM 256 N THR A 17 20.501 -1.018 -4.173 1.00 0.00 N ATOM 257 CA THR A 17 20.599 0.409 -4.046 1.00 0.00 C ATOM 258 C THR A 17 21.826 0.912 -4.796 1.00 0.00 C ATOM 259 O THR A 17 21.776 1.943 -5.458 1.00 0.00 O ATOM 260 CB THR A 17 20.654 0.843 -2.548 1.00 0.00 C ATOM 261 OG1 THR A 17 20.586 2.274 -2.438 1.00 0.00 O ATOM 262 CG2 THR A 17 21.922 0.325 -1.873 1.00 0.00 C ATOM 0 H THR A 17 20.518 -1.518 -3.284 1.00 0.00 H new ATOM 0 HA THR A 17 19.706 0.855 -4.484 1.00 0.00 H new ATOM 0 HB THR A 17 19.794 0.407 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 17 20.620 2.531 -1.493 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.935 0.642 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.941 -0.764 -1.922 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.797 0.727 -2.385 1.00 0.00 H new ATOM 270 N ASP A 18 22.925 0.200 -4.668 1.00 0.00 N ATOM 271 CA ASP A 18 24.127 0.583 -5.311 1.00 0.00 C ATOM 272 C ASP A 18 24.532 -0.519 -6.256 1.00 0.00 C ATOM 273 O ASP A 18 25.494 -0.392 -7.014 1.00 0.00 O ATOM 274 CB ASP A 18 25.193 0.790 -4.255 1.00 0.00 C ATOM 275 CG ASP A 18 26.482 1.366 -4.801 1.00 0.00 C ATOM 276 OD1 ASP A 18 26.566 2.599 -4.956 1.00 0.00 O ATOM 277 OD2 ASP A 18 27.437 0.591 -5.024 1.00 0.00 O ATOM 0 H ASP A 18 22.993 -0.654 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 18 23.995 1.508 -5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.805 1.456 -3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.406 -0.164 -3.774 1.00 0.00 H new ATOM 282 N GLU A 19 23.765 -1.612 -6.246 1.00 0.00 N ATOM 283 CA GLU A 19 24.191 -2.762 -6.948 1.00 0.00 C ATOM 284 C GLU A 19 23.062 -3.251 -7.800 1.00 0.00 C ATOM 285 O GLU A 19 22.231 -4.058 -7.385 1.00 0.00 O ATOM 286 CB GLU A 19 24.613 -3.828 -5.961 1.00 0.00 C ATOM 287 CG GLU A 19 25.747 -3.340 -5.114 1.00 0.00 C ATOM 288 CD GLU A 19 26.270 -4.346 -4.092 1.00 0.00 C ATOM 289 OE1 GLU A 19 25.809 -5.495 -4.081 1.00 0.00 O ATOM 290 OE2 GLU A 19 27.152 -3.981 -3.285 1.00 0.00 O ATOM 0 H GLU A 19 22.871 -1.698 -5.763 1.00 0.00 H new ATOM 0 HA GLU A 19 25.043 -2.523 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 19 23.769 -4.100 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.913 -4.729 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.569 -3.048 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 19 25.426 -2.442 -4.586 1.00 0.00 H new ATOM 297 N PHE A 20 23.025 -2.733 -8.946 1.00 0.00 N ATOM 298 CA PHE A 20 22.047 -3.068 -9.927 1.00 0.00 C ATOM 299 C PHE A 20 22.588 -4.143 -10.859 1.00 0.00 C ATOM 300 O PHE A 20 21.877 -4.630 -11.743 1.00 0.00 O ATOM 301 CB PHE A 20 21.724 -1.812 -10.719 1.00 0.00 C ATOM 302 CG PHE A 20 20.906 -0.813 -9.954 1.00 0.00 C ATOM 303 CD1 PHE A 20 19.531 -0.889 -9.938 1.00 0.00 C ATOM 304 CD2 PHE A 20 21.528 0.213 -9.258 1.00 0.00 C ATOM 305 CE1 PHE A 20 18.777 0.041 -9.238 1.00 0.00 C ATOM 306 CE2 PHE A 20 20.785 1.145 -8.559 1.00 0.00 C ATOM 307 CZ PHE A 20 19.405 1.062 -8.550 1.00 0.00 C ATOM 0 H PHE A 20 23.695 -2.031 -9.261 1.00 0.00 H new ATOM 0 HA PHE A 20 21.149 -3.453 -9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 20 22.655 -1.342 -11.034 1.00 0.00 H new ATOM 0 HB3 PHE A 20 21.186 -2.092 -11.625 1.00 0.00 H new ATOM 0 HD1 PHE A 20 19.034 -1.682 -10.477 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.606 0.284 -9.262 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.700 -0.033 -9.231 1.00 0.00 H new ATOM 0 HE2 PHE A 20 21.282 1.938 -8.020 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.821 1.791 -8.008 1.00 0.00 H new ATOM 317 N GLU A 21 23.840 -4.534 -10.652 1.00 0.00 N ATOM 318 CA GLU A 21 24.435 -5.561 -11.482 1.00 0.00 C ATOM 319 C GLU A 21 24.684 -6.818 -10.679 1.00 0.00 C ATOM 320 O GLU A 21 25.434 -6.794 -9.699 1.00 0.00 O ATOM 321 CB GLU A 21 25.761 -5.082 -12.064 1.00 0.00 C ATOM 322 CG GLU A 21 25.629 -3.953 -13.066 1.00 0.00 C ATOM 323 CD GLU A 21 26.971 -3.464 -13.575 1.00 0.00 C ATOM 324 OE1 GLU A 21 28.008 -4.046 -13.180 1.00 0.00 O ATOM 325 OE2 GLU A 21 26.990 -2.509 -14.371 1.00 0.00 O ATOM 0 H GLU A 21 24.451 -4.159 -9.926 1.00 0.00 H new ATOM 0 HA GLU A 21 23.737 -5.776 -12.291 1.00 0.00 H new ATOM 0 HB2 GLU A 21 26.406 -4.755 -11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 21 26.259 -5.924 -12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 21 25.026 -4.289 -13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 21 25.096 -3.122 -12.604 1.00 0.00 H new ATOM 332 N PHE A 22 24.063 -7.915 -11.088 1.00 0.00 N ATOM 333 CA PHE A 22 24.271 -9.190 -10.424 1.00 0.00 C ATOM 334 C PHE A 22 24.263 -10.369 -11.403 1.00 0.00 C ATOM 335 O PHE A 22 23.642 -10.305 -12.452 1.00 0.00 O ATOM 336 CB PHE A 22 23.228 -9.416 -9.334 1.00 0.00 C ATOM 337 CG PHE A 22 23.477 -8.669 -8.063 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.461 -9.085 -7.172 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.722 -7.573 -7.749 1.00 0.00 C ATOM 340 CE1 PHE A 22 24.671 -8.410 -5.991 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.921 -6.898 -6.564 1.00 0.00 C ATOM 342 CZ PHE A 22 23.900 -7.316 -5.684 1.00 0.00 C ATOM 0 H PHE A 22 23.414 -7.946 -11.874 1.00 0.00 H new ATOM 0 HA PHE A 22 25.261 -9.143 -9.970 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.250 -9.130 -9.721 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.183 -10.482 -9.110 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.067 -9.947 -7.410 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.962 -7.233 -8.437 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.440 -8.740 -5.308 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.310 -6.041 -6.323 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.059 -6.784 -4.757 1.00 0.00 H new ATOM 352 N PRO A 23 25.023 -11.428 -11.054 1.00 0.00 N ATOM 353 CA PRO A 23 25.084 -12.709 -11.775 1.00 0.00 C ATOM 354 C PRO A 23 23.824 -13.566 -11.579 1.00 0.00 C ATOM 355 O PRO A 23 23.005 -13.303 -10.692 1.00 0.00 O ATOM 356 CB PRO A 23 26.295 -13.402 -11.188 1.00 0.00 C ATOM 357 CG PRO A 23 26.336 -12.911 -9.807 1.00 0.00 C ATOM 358 CD PRO A 23 25.952 -11.454 -9.894 1.00 0.00 C ATOM 0 HA PRO A 23 25.150 -12.554 -12.852 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.194 -14.487 -11.225 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.205 -13.148 -11.731 1.00 0.00 H new ATOM 0 HG2 PRO A 23 25.644 -13.464 -9.172 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.330 -13.031 -9.376 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.468 -11.108 -8.981 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.820 -10.816 -10.057 1.00 0.00 H new ATOM 366 N ILE A 24 23.659 -14.559 -12.427 1.00 0.00 N ATOM 367 CA ILE A 24 22.505 -15.441 -12.353 1.00 0.00 C ATOM 368 C ILE A 24 22.571 -16.285 -11.082 1.00 0.00 C ATOM 369 O ILE A 24 23.634 -16.811 -10.722 1.00 0.00 O ATOM 370 CB ILE A 24 22.431 -16.414 -13.573 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.938 -15.695 -14.835 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.524 -17.618 -13.269 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.956 -14.746 -15.444 1.00 0.00 C ATOM 0 H ILE A 24 24.311 -14.779 -13.180 1.00 0.00 H new ATOM 0 HA ILE A 24 21.621 -14.804 -12.354 1.00 0.00 H new ATOM 0 HB ILE A 24 23.443 -16.776 -13.756 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.660 -16.440 -15.580 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.035 -15.135 -14.592 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.492 -18.278 -14.136 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.919 -18.164 -12.412 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.517 -17.267 -13.043 1.00 0.00 H new ATOM 0 HD11 ILE A 24 22.531 -14.278 -16.332 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.216 -13.977 -14.717 1.00 0.00 H new ATOM 0 HD13 ILE A 24 23.852 -15.302 -15.721 1.00 0.00 H new ATOM 385 N GLY A 25 21.447 -16.345 -10.382 1.00 0.00 N ATOM 386 CA GLY A 25 21.357 -17.082 -9.139 1.00 0.00 C ATOM 387 C GLY A 25 21.446 -16.188 -7.931 1.00 0.00 C ATOM 388 O GLY A 25 21.216 -16.632 -6.815 1.00 0.00 O ATOM 0 H GLY A 25 20.580 -15.886 -10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.415 -17.630 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.157 -17.821 -9.100 1.00 0.00 H new ATOM 392 N THR A 26 21.812 -14.944 -8.141 1.00 0.00 N ATOM 393 CA THR A 26 21.792 -13.972 -7.090 1.00 0.00 C ATOM 394 C THR A 26 20.369 -13.645 -6.696 1.00 0.00 C ATOM 395 O THR A 26 19.503 -13.449 -7.547 1.00 0.00 O ATOM 396 CB THR A 26 22.522 -12.685 -7.456 1.00 0.00 C ATOM 397 OG1 THR A 26 23.832 -13.002 -7.930 1.00 0.00 O ATOM 398 CG2 THR A 26 22.636 -11.774 -6.238 1.00 0.00 C ATOM 0 H THR A 26 22.129 -14.586 -9.042 1.00 0.00 H new ATOM 0 HA THR A 26 22.320 -14.422 -6.249 1.00 0.00 H new ATOM 0 HB THR A 26 21.958 -12.169 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 26 23.801 -13.157 -8.897 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.160 -10.859 -6.516 1.00 0.00 H new ATOM 0 HG22 THR A 26 21.639 -11.525 -5.875 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.191 -12.286 -5.452 1.00 0.00 H new ATOM 406 N TYR A 27 20.135 -13.581 -5.425 1.00 0.00 N ATOM 407 CA TYR A 27 18.842 -13.215 -4.923 1.00 0.00 C ATOM 408 C TYR A 27 18.925 -11.780 -4.433 1.00 0.00 C ATOM 409 O TYR A 27 19.842 -11.427 -3.696 1.00 0.00 O ATOM 410 CB TYR A 27 18.498 -14.125 -3.714 1.00 0.00 C ATOM 411 CG TYR A 27 18.179 -15.569 -4.050 1.00 0.00 C ATOM 412 CD1 TYR A 27 19.167 -16.423 -4.496 1.00 0.00 C ATOM 413 CD2 TYR A 27 16.901 -16.097 -3.860 1.00 0.00 C ATOM 414 CE1 TYR A 27 18.909 -17.750 -4.759 1.00 0.00 C ATOM 415 CE2 TYR A 27 16.634 -17.428 -4.130 1.00 0.00 C ATOM 416 CZ TYR A 27 17.642 -18.245 -4.577 1.00 0.00 C ATOM 417 OH TYR A 27 17.381 -19.571 -4.834 1.00 0.00 O ATOM 0 H TYR A 27 20.829 -13.779 -4.705 1.00 0.00 H new ATOM 0 HA TYR A 27 18.084 -13.322 -5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 27 19.338 -14.109 -3.020 1.00 0.00 H new ATOM 0 HB3 TYR A 27 17.644 -13.695 -3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.167 -16.041 -4.642 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.109 -15.458 -3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.700 -18.398 -5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.638 -17.821 -3.990 1.00 0.00 H new ATOM 0 HH TYR A 27 16.436 -19.759 -4.654 1.00 0.00 H new ATOM 427 N LEU A 28 17.987 -10.955 -4.842 1.00 0.00 N ATOM 428 CA LEU A 28 17.896 -9.629 -4.287 1.00 0.00 C ATOM 429 C LEU A 28 16.844 -9.604 -3.261 1.00 0.00 C ATOM 430 O LEU A 28 15.682 -9.846 -3.540 1.00 0.00 O ATOM 431 CB LEU A 28 17.624 -8.547 -5.345 1.00 0.00 C ATOM 432 CG LEU A 28 18.791 -8.114 -6.237 1.00 0.00 C ATOM 433 CD1 LEU A 28 18.277 -7.351 -7.424 1.00 0.00 C ATOM 434 CD2 LEU A 28 19.683 -7.169 -5.474 1.00 0.00 C ATOM 0 H LEU A 28 17.286 -11.177 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 28 18.866 -9.395 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.822 -8.904 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.249 -7.662 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 28 19.329 -9.009 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 28 19.115 -7.048 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 28 17.603 -7.985 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.740 -6.466 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 28 20.514 -6.861 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 19.111 -6.291 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 28 20.071 -7.671 -4.587 1.00 0.00 H new ATOM 446 N ASN A 29 17.237 -9.143 -2.130 1.00 0.00 N ATOM 447 CA ASN A 29 16.464 -9.157 -0.968 1.00 0.00 C ATOM 448 C ASN A 29 15.490 -8.030 -1.048 1.00 0.00 C ATOM 449 O ASN A 29 15.831 -6.875 -0.867 1.00 0.00 O ATOM 450 CB ASN A 29 17.420 -8.947 0.229 1.00 0.00 C ATOM 451 CG ASN A 29 16.748 -9.084 1.596 1.00 0.00 C ATOM 452 OD1 ASN A 29 15.748 -9.780 1.741 1.00 0.00 O ATOM 453 ND2 ASN A 29 17.322 -8.447 2.607 1.00 0.00 N ATOM 0 H ASN A 29 18.158 -8.726 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 29 15.923 -10.096 -0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 29 18.233 -9.670 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.867 -7.956 0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.933 -8.526 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.153 -7.878 2.445 1.00 0.00 H new ATOM 460 N TYR A 30 14.288 -8.395 -1.334 1.00 0.00 N ATOM 461 CA TYR A 30 13.206 -7.479 -1.452 1.00 0.00 C ATOM 462 C TYR A 30 12.341 -7.539 -0.263 1.00 0.00 C ATOM 463 O TYR A 30 11.939 -8.595 0.196 1.00 0.00 O ATOM 464 CB TYR A 30 12.369 -7.725 -2.728 1.00 0.00 C ATOM 465 CG TYR A 30 12.882 -7.087 -4.011 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.234 -6.953 -4.306 1.00 0.00 C ATOM 467 CD2 TYR A 30 11.962 -6.577 -4.919 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.642 -6.318 -5.480 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.351 -5.963 -6.077 1.00 0.00 C ATOM 470 CZ TYR A 30 13.684 -5.822 -6.357 1.00 0.00 C ATOM 471 OH TYR A 30 14.067 -5.193 -7.521 1.00 0.00 O ATOM 0 H TYR A 30 14.023 -9.366 -1.497 1.00 0.00 H new ATOM 0 HA TYR A 30 13.641 -6.483 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.298 -8.801 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.357 -7.362 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 30 14.973 -7.343 -3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 30 10.908 -6.668 -4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.693 -6.213 -5.705 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.610 -5.591 -6.768 1.00 0.00 H new ATOM 0 HH TYR A 30 13.271 -4.909 -8.017 1.00 0.00 H new ATOM 481 N GLU A 31 12.053 -6.388 0.224 1.00 0.00 N ATOM 482 CA GLU A 31 11.253 -6.236 1.375 1.00 0.00 C ATOM 483 C GLU A 31 10.004 -5.513 1.014 1.00 0.00 C ATOM 484 O GLU A 31 10.051 -4.425 0.453 1.00 0.00 O ATOM 485 CB GLU A 31 12.034 -5.448 2.423 1.00 0.00 C ATOM 486 CG GLU A 31 11.323 -5.248 3.749 1.00 0.00 C ATOM 487 CD GLU A 31 12.172 -4.491 4.758 1.00 0.00 C ATOM 488 OE1 GLU A 31 13.221 -3.916 4.358 1.00 0.00 O ATOM 489 OE2 GLU A 31 11.800 -4.469 5.953 1.00 0.00 O ATOM 0 H GLU A 31 12.376 -5.508 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 31 10.991 -7.213 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.978 -5.960 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.279 -4.469 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.394 -4.704 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.053 -6.220 4.163 1.00 0.00 H new ATOM 496 N CYS A 32 8.895 -6.101 1.343 1.00 0.00 N ATOM 497 CA CYS A 32 7.636 -5.450 1.120 1.00 0.00 C ATOM 498 C CYS A 32 7.482 -4.556 2.313 1.00 0.00 C ATOM 499 O CYS A 32 7.566 -5.039 3.445 1.00 0.00 O ATOM 500 CB CYS A 32 6.476 -6.507 1.093 1.00 0.00 C ATOM 501 SG CYS A 32 6.581 -7.709 -0.292 1.00 0.00 S ATOM 0 H CYS A 32 8.833 -7.027 1.766 1.00 0.00 H new ATOM 0 HA CYS A 32 7.600 -4.912 0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.478 -7.055 2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.523 -5.982 1.031 1.00 0.00 H new ATOM 506 N ARG A 33 7.287 -3.251 2.085 1.00 0.00 N ATOM 507 CA ARG A 33 7.184 -2.328 3.205 1.00 0.00 C ATOM 508 C ARG A 33 6.082 -2.793 4.144 1.00 0.00 C ATOM 509 O ARG A 33 5.179 -3.520 3.719 1.00 0.00 O ATOM 510 CB ARG A 33 6.964 -0.884 2.732 1.00 0.00 C ATOM 511 CG ARG A 33 5.888 -0.724 1.693 1.00 0.00 C ATOM 512 CD ARG A 33 5.164 0.594 1.871 1.00 0.00 C ATOM 513 NE ARG A 33 4.396 0.601 3.112 1.00 0.00 N ATOM 514 CZ ARG A 33 4.171 1.685 3.843 1.00 0.00 C ATOM 515 NH1 ARG A 33 4.626 2.861 3.436 1.00 0.00 N ATOM 516 NH2 ARG A 33 3.481 1.598 4.977 1.00 0.00 N ATOM 0 H ARG A 33 7.200 -2.827 1.162 1.00 0.00 H new ATOM 0 HA ARG A 33 8.128 -2.328 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.713 -0.267 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.901 -0.501 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.328 -0.771 0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.178 -1.548 1.768 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.885 1.412 1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.498 0.765 1.025 1.00 0.00 H new ATOM 0 HE ARG A 33 4.007 -0.284 3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.148 2.931 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.454 3.696 3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.122 0.695 5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.311 2.434 5.536 1.00 0.00 H new ATOM 530 N PRO A 34 6.093 -2.377 5.413 1.00 0.00 N ATOM 531 CA PRO A 34 5.140 -2.898 6.376 1.00 0.00 C ATOM 532 C PRO A 34 3.707 -2.580 5.978 1.00 0.00 C ATOM 533 O PRO A 34 3.414 -1.502 5.422 1.00 0.00 O ATOM 534 CB PRO A 34 5.536 -2.211 7.679 1.00 0.00 C ATOM 535 CG PRO A 34 6.235 -0.977 7.242 1.00 0.00 C ATOM 536 CD PRO A 34 7.000 -1.381 6.017 1.00 0.00 C ATOM 0 HA PRO A 34 5.168 -3.985 6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.663 -1.979 8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.186 -2.845 8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.526 -0.179 7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.902 -0.604 8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.183 -0.537 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.972 -1.809 6.264 1.00 0.00 H new ATOM 544 N GLY A 35 2.823 -3.515 6.273 1.00 0.00 N ATOM 545 CA GLY A 35 1.450 -3.411 5.855 1.00 0.00 C ATOM 546 C GLY A 35 1.210 -4.156 4.559 1.00 0.00 C ATOM 547 O GLY A 35 0.092 -4.191 4.040 1.00 0.00 O ATOM 0 H GLY A 35 3.040 -4.358 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.800 -3.812 6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.185 -2.361 5.728 1.00 0.00 H new ATOM 551 N TYR A 36 2.278 -4.737 4.037 1.00 0.00 N ATOM 552 CA TYR A 36 2.222 -5.569 2.850 1.00 0.00 C ATOM 553 C TYR A 36 2.521 -7.033 3.125 1.00 0.00 C ATOM 554 O TYR A 36 3.412 -7.387 3.893 1.00 0.00 O ATOM 555 CB TYR A 36 3.120 -5.070 1.720 1.00 0.00 C ATOM 556 CG TYR A 36 2.673 -3.796 1.047 1.00 0.00 C ATOM 557 CD1 TYR A 36 2.976 -2.552 1.556 1.00 0.00 C ATOM 558 CD2 TYR A 36 1.958 -3.860 -0.140 1.00 0.00 C ATOM 559 CE1 TYR A 36 2.569 -1.405 0.899 1.00 0.00 C ATOM 560 CE2 TYR A 36 1.554 -2.727 -0.795 1.00 0.00 C ATOM 561 CZ TYR A 36 1.859 -1.501 -0.277 1.00 0.00 C ATOM 562 OH TYR A 36 1.443 -0.358 -0.935 1.00 0.00 O ATOM 0 H TYR A 36 3.215 -4.643 4.430 1.00 0.00 H new ATOM 0 HA TYR A 36 1.185 -5.489 2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.123 -4.917 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.192 -5.853 0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.536 -2.472 2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.714 -4.826 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.808 -0.434 1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.997 -2.803 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 36 0.956 -0.607 -1.748 1.00 0.00 H new ATOM 572 N SER A 37 1.728 -7.854 2.495 1.00 0.00 N ATOM 573 CA SER A 37 1.832 -9.266 2.524 1.00 0.00 C ATOM 574 C SER A 37 2.441 -9.725 1.198 1.00 0.00 C ATOM 575 O SER A 37 3.055 -8.939 0.484 1.00 0.00 O ATOM 576 CB SER A 37 0.445 -9.881 2.733 1.00 0.00 C ATOM 577 OG SER A 37 0.530 -11.260 3.079 1.00 0.00 O ATOM 0 H SER A 37 0.953 -7.526 1.919 1.00 0.00 H new ATOM 0 HA SER A 37 2.469 -9.590 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.079 -9.339 3.520 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.144 -9.769 1.823 1.00 0.00 H new ATOM 0 HG SER A 37 0.017 -11.791 2.434 1.00 0.00 H new ATOM 583 N GLY A 38 2.239 -10.974 0.876 1.00 0.00 N ATOM 584 CA GLY A 38 2.805 -11.552 -0.324 1.00 0.00 C ATOM 585 C GLY A 38 4.067 -12.295 -0.043 1.00 0.00 C ATOM 586 O GLY A 38 4.619 -12.961 -0.920 1.00 0.00 O ATOM 0 H GLY A 38 1.681 -11.622 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.080 -12.227 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.003 -10.762 -1.049 1.00 0.00 H new ATOM 590 N ARG A 39 4.466 -12.225 1.208 1.00 0.00 N ATOM 591 CA ARG A 39 5.669 -12.857 1.719 1.00 0.00 C ATOM 592 C ARG A 39 6.916 -12.355 0.993 1.00 0.00 C ATOM 593 O ARG A 39 7.087 -12.576 -0.206 1.00 0.00 O ATOM 594 CB ARG A 39 5.545 -14.372 1.628 1.00 0.00 C ATOM 595 CG ARG A 39 6.263 -15.128 2.745 1.00 0.00 C ATOM 596 CD ARG A 39 5.691 -14.757 4.116 1.00 0.00 C ATOM 597 NE ARG A 39 4.229 -14.839 4.144 1.00 0.00 N ATOM 598 CZ ARG A 39 3.467 -14.285 5.084 1.00 0.00 C ATOM 599 NH1 ARG A 39 4.026 -13.567 6.052 1.00 0.00 N ATOM 600 NH2 ARG A 39 2.150 -14.424 5.040 1.00 0.00 N ATOM 0 H ARG A 39 3.949 -11.712 1.922 1.00 0.00 H new ATOM 0 HA ARG A 39 5.780 -12.584 2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.489 -14.640 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.943 -14.701 0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.164 -16.202 2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.328 -14.899 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.105 -15.422 4.873 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.002 -13.745 4.376 1.00 0.00 H new ATOM 0 HE ARG A 39 3.765 -15.354 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.038 -13.441 6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.443 -13.142 6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.718 -14.956 4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.568 -13.999 5.761 1.00 0.00 H new ATOM 614 N PRO A 40 7.840 -11.732 1.715 1.00 0.00 N ATOM 615 CA PRO A 40 9.007 -11.155 1.090 1.00 0.00 C ATOM 616 C PRO A 40 9.990 -12.213 0.620 1.00 0.00 C ATOM 617 O PRO A 40 10.555 -12.972 1.405 1.00 0.00 O ATOM 618 CB PRO A 40 9.639 -10.310 2.210 1.00 0.00 C ATOM 619 CG PRO A 40 9.120 -10.881 3.487 1.00 0.00 C ATOM 620 CD PRO A 40 7.795 -11.521 3.169 1.00 0.00 C ATOM 0 HA PRO A 40 8.746 -10.583 0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.727 -10.360 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.365 -9.260 2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.816 -11.614 3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.002 -10.101 4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.668 -12.462 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.963 -10.877 3.453 1.00 0.00 H new ATOM 628 N PHE A 41 10.127 -12.273 -0.685 1.00 0.00 N ATOM 629 CA PHE A 41 11.082 -13.110 -1.342 1.00 0.00 C ATOM 630 C PHE A 41 11.882 -12.327 -2.323 1.00 0.00 C ATOM 631 O PHE A 41 11.380 -11.401 -2.976 1.00 0.00 O ATOM 632 CB PHE A 41 10.457 -14.342 -2.017 1.00 0.00 C ATOM 633 CG PHE A 41 9.997 -15.420 -1.080 1.00 0.00 C ATOM 634 CD1 PHE A 41 10.904 -16.375 -0.654 1.00 0.00 C ATOM 635 CD2 PHE A 41 8.689 -15.499 -0.633 1.00 0.00 C ATOM 636 CE1 PHE A 41 10.524 -17.393 0.187 1.00 0.00 C ATOM 637 CE2 PHE A 41 8.302 -16.527 0.214 1.00 0.00 C ATOM 638 CZ PHE A 41 9.223 -17.470 0.624 1.00 0.00 C ATOM 0 H PHE A 41 9.558 -11.723 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 41 11.740 -13.490 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.606 -14.016 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.187 -14.768 -2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.929 -16.319 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.968 -14.758 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.246 -18.131 0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.279 -16.590 0.553 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.922 -18.267 1.287 1.00 0.00 H new ATOM 648 N SER A 42 13.099 -12.715 -2.443 1.00 0.00 N ATOM 649 CA SER A 42 14.043 -12.081 -3.295 1.00 0.00 C ATOM 650 C SER A 42 13.783 -12.368 -4.783 1.00 0.00 C ATOM 651 O SER A 42 13.291 -13.438 -5.133 1.00 0.00 O ATOM 652 CB SER A 42 15.439 -12.554 -2.876 1.00 0.00 C ATOM 653 OG SER A 42 15.597 -12.431 -1.467 1.00 0.00 O ATOM 0 H SER A 42 13.481 -13.511 -1.933 1.00 0.00 H new ATOM 0 HA SER A 42 13.954 -11.000 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.585 -13.592 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.200 -11.964 -3.387 1.00 0.00 H new ATOM 0 HG SER A 42 16.492 -12.737 -1.210 1.00 0.00 H new ATOM 659 N ILE A 43 14.093 -11.395 -5.648 1.00 0.00 N ATOM 660 CA ILE A 43 14.050 -11.633 -7.088 1.00 0.00 C ATOM 661 C ILE A 43 15.371 -12.230 -7.503 1.00 0.00 C ATOM 662 O ILE A 43 16.434 -11.761 -7.092 1.00 0.00 O ATOM 663 CB ILE A 43 13.754 -10.368 -7.964 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.806 -9.290 -7.758 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.356 -9.820 -7.724 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.666 -8.121 -8.708 1.00 0.00 C ATOM 0 H ILE A 43 14.372 -10.452 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 43 13.211 -12.306 -7.266 1.00 0.00 H new ATOM 0 HB ILE A 43 13.801 -10.688 -9.005 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.744 -8.924 -6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.795 -9.731 -7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.196 -8.944 -8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.618 -10.584 -7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.250 -9.539 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.449 -7.391 -8.504 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.758 -8.474 -9.735 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.690 -7.655 -8.570 1.00 0.00 H new ATOM 678 N ILE A 44 15.307 -13.292 -8.240 1.00 0.00 N ATOM 679 CA ILE A 44 16.497 -14.018 -8.638 1.00 0.00 C ATOM 680 C ILE A 44 16.572 -14.026 -10.145 1.00 0.00 C ATOM 681 O ILE A 44 15.552 -14.238 -10.789 1.00 0.00 O ATOM 682 CB ILE A 44 16.477 -15.487 -8.166 1.00 0.00 C ATOM 683 CG1 ILE A 44 15.902 -15.577 -6.774 1.00 0.00 C ATOM 684 CG2 ILE A 44 17.905 -16.041 -8.166 1.00 0.00 C ATOM 685 CD1 ILE A 44 14.411 -15.886 -6.767 1.00 0.00 C ATOM 0 H ILE A 44 14.435 -13.690 -8.589 1.00 0.00 H new ATOM 0 HA ILE A 44 17.352 -13.520 -8.182 1.00 0.00 H new ATOM 0 HB ILE A 44 15.856 -16.071 -8.845 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.431 -16.351 -6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.075 -14.635 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 44 17.893 -17.079 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.316 -15.989 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 44 18.524 -15.450 -7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.055 -15.938 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.874 -15.100 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 44 14.235 -16.842 -7.261 1.00 0.00 H new ATOM 697 N CYS A 45 17.720 -13.663 -10.705 1.00 0.00 N ATOM 698 CA CYS A 45 17.944 -13.748 -12.162 1.00 0.00 C ATOM 699 C CYS A 45 17.552 -15.157 -12.650 1.00 0.00 C ATOM 700 O CYS A 45 18.360 -16.087 -12.618 1.00 0.00 O ATOM 701 CB CYS A 45 19.437 -13.493 -12.441 1.00 0.00 C ATOM 702 SG CYS A 45 19.827 -12.345 -13.804 1.00 0.00 S ATOM 0 H CYS A 45 18.518 -13.305 -10.180 1.00 0.00 H new ATOM 0 HA CYS A 45 17.340 -13.008 -12.686 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.893 -13.107 -11.529 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.912 -14.450 -12.655 1.00 0.00 H new ATOM 707 N LEU A 46 16.282 -15.312 -13.054 1.00 0.00 N ATOM 708 CA LEU A 46 15.760 -16.616 -13.430 1.00 0.00 C ATOM 709 C LEU A 46 15.122 -16.609 -14.819 1.00 0.00 C ATOM 710 O LEU A 46 15.640 -17.233 -15.743 1.00 0.00 O ATOM 711 CB LEU A 46 14.712 -17.085 -12.399 1.00 0.00 C ATOM 712 CG LEU A 46 15.189 -17.249 -10.957 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.024 -17.637 -10.047 1.00 0.00 C ATOM 714 CD2 LEU A 46 16.302 -18.287 -10.863 1.00 0.00 C ATOM 0 H LEU A 46 15.608 -14.550 -13.125 1.00 0.00 H new ATOM 0 HA LEU A 46 16.607 -17.302 -13.451 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.887 -16.372 -12.405 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.310 -18.041 -12.734 1.00 0.00 H new ATOM 0 HG LEU A 46 15.588 -16.291 -10.625 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.383 -17.749 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.261 -16.859 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.595 -18.580 -10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.623 -18.384 -9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.934 -19.249 -11.220 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.146 -17.972 -11.476 1.00 0.00 H new ATOM 726 N LYS A 47 13.985 -15.884 -14.969 1.00 0.00 N ATOM 727 CA LYS A 47 13.269 -15.882 -16.239 1.00 0.00 C ATOM 728 C LYS A 47 14.088 -15.126 -17.274 1.00 0.00 C ATOM 729 O LYS A 47 14.427 -13.963 -17.076 1.00 0.00 O ATOM 730 CB LYS A 47 11.925 -15.178 -16.059 1.00 0.00 C ATOM 731 CG LYS A 47 10.986 -15.635 -17.084 1.00 0.00 C ATOM 732 CD LYS A 47 10.558 -17.026 -16.730 1.00 0.00 C ATOM 733 CE LYS A 47 9.784 -17.634 -17.814 1.00 0.00 C ATOM 734 NZ LYS A 47 8.465 -16.959 -18.079 1.00 0.00 N ATOM 0 H LYS A 47 13.564 -15.311 -14.237 1.00 0.00 H new ATOM 0 HA LYS A 47 13.108 -16.908 -16.570 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.525 -15.387 -15.067 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.057 -14.098 -16.129 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.123 -14.971 -17.134 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.457 -15.619 -18.067 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.436 -17.637 -16.519 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.959 -17.004 -15.820 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.380 -17.615 -18.727 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.602 -18.682 -17.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.969 -17.456 -18.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.883 -16.984 -17.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.630 -15.970 -18.356 1.00 0.00 H new ATOM 748 N ASN A 48 14.377 -15.802 -18.383 1.00 0.00 N ATOM 749 CA ASN A 48 15.170 -15.249 -19.504 1.00 0.00 C ATOM 750 C ASN A 48 16.501 -14.744 -18.958 1.00 0.00 C ATOM 751 O ASN A 48 17.081 -13.793 -19.472 1.00 0.00 O ATOM 752 CB ASN A 48 14.400 -14.097 -20.170 1.00 0.00 C ATOM 753 CG ASN A 48 14.957 -13.668 -21.536 1.00 0.00 C ATOM 754 OD1 ASN A 48 15.788 -12.763 -21.636 1.00 0.00 O ATOM 755 ND2 ASN A 48 14.489 -14.312 -22.593 1.00 0.00 N ATOM 0 H ASN A 48 14.069 -16.761 -18.541 1.00 0.00 H new ATOM 0 HA ASN A 48 15.349 -16.023 -20.251 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.359 -14.395 -20.293 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.408 -13.236 -19.501 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.816 -14.064 -23.527 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.802 -15.056 -22.474 1.00 0.00 H new ATOM 762 N SER A 49 17.020 -15.449 -17.949 1.00 0.00 N ATOM 763 CA SER A 49 18.247 -15.069 -17.270 1.00 0.00 C ATOM 764 C SER A 49 18.238 -13.595 -16.810 1.00 0.00 C ATOM 765 O SER A 49 19.291 -13.023 -16.568 1.00 0.00 O ATOM 766 CB SER A 49 19.484 -15.403 -18.116 1.00 0.00 C ATOM 767 OG SER A 49 19.229 -15.334 -19.511 1.00 0.00 O ATOM 0 H SER A 49 16.594 -16.301 -17.584 1.00 0.00 H new ATOM 0 HA SER A 49 18.303 -15.669 -16.362 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.289 -14.713 -17.863 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.832 -16.405 -17.864 1.00 0.00 H new ATOM 0 HG SER A 49 18.703 -14.531 -19.708 1.00 0.00 H new ATOM 773 N VAL A 50 17.039 -12.982 -16.719 1.00 0.00 N ATOM 774 CA VAL A 50 16.927 -11.602 -16.257 1.00 0.00 C ATOM 775 C VAL A 50 16.514 -11.551 -14.772 1.00 0.00 C ATOM 776 O VAL A 50 17.317 -11.326 -13.912 1.00 0.00 O ATOM 777 CB VAL A 50 15.912 -10.795 -17.120 1.00 0.00 C ATOM 778 CG1 VAL A 50 15.825 -9.352 -16.651 1.00 0.00 C ATOM 779 CG2 VAL A 50 16.295 -10.858 -18.585 1.00 0.00 C ATOM 0 H VAL A 50 16.151 -13.423 -16.958 1.00 0.00 H new ATOM 0 HA VAL A 50 17.909 -11.142 -16.365 1.00 0.00 H new ATOM 0 HB VAL A 50 14.928 -11.248 -16.999 1.00 0.00 H new ATOM 0 HG11 VAL A 50 15.110 -8.811 -17.270 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.498 -9.326 -15.612 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.805 -8.883 -16.734 1.00 0.00 H new ATOM 0 HG21 VAL A 50 15.576 -10.289 -19.174 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.290 -10.434 -18.719 1.00 0.00 H new ATOM 0 HG23 VAL A 50 16.295 -11.896 -18.917 1.00 0.00 H new ATOM 789 N TRP A 51 15.230 -11.755 -14.514 1.00 0.00 N ATOM 790 CA TRP A 51 14.684 -11.784 -13.150 1.00 0.00 C ATOM 791 C TRP A 51 13.482 -12.700 -13.090 1.00 0.00 C ATOM 792 O TRP A 51 13.017 -13.165 -14.115 1.00 0.00 O ATOM 793 CB TRP A 51 14.365 -10.383 -12.583 1.00 0.00 C ATOM 794 CG TRP A 51 15.598 -9.556 -12.394 1.00 0.00 C ATOM 795 CD1 TRP A 51 16.007 -8.515 -13.166 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.616 -9.744 -11.399 1.00 0.00 C ATOM 797 NE1 TRP A 51 17.209 -8.032 -12.716 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.604 -8.771 -11.623 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.782 -10.630 -10.344 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.745 -8.668 -10.826 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.914 -10.530 -9.557 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.874 -9.556 -9.798 1.00 0.00 C ATOM 0 H TRP A 51 14.530 -11.906 -15.241 1.00 0.00 H new ATOM 0 HA TRP A 51 15.465 -12.182 -12.503 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.683 -9.866 -13.258 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.850 -10.488 -11.628 1.00 0.00 H new ATOM 0 HD1 TRP A 51 15.463 -8.124 -14.013 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.726 -7.253 -13.124 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.038 -11.386 -10.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.496 -7.915 -11.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.054 -11.222 -8.740 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.742 -9.500 -9.158 1.00 0.00 H new ATOM 813 N THR A 52 12.983 -12.964 -11.900 1.00 0.00 N ATOM 814 CA THR A 52 11.854 -13.876 -11.727 1.00 0.00 C ATOM 815 C THR A 52 10.527 -13.184 -12.130 1.00 0.00 C ATOM 816 O THR A 52 9.468 -13.795 -12.119 1.00 0.00 O ATOM 817 CB THR A 52 11.770 -14.388 -10.270 1.00 0.00 C ATOM 818 OG1 THR A 52 10.629 -15.240 -10.099 1.00 0.00 O ATOM 819 CG2 THR A 52 11.663 -13.230 -9.308 1.00 0.00 C ATOM 0 H THR A 52 13.337 -12.563 -11.032 1.00 0.00 H new ATOM 0 HA THR A 52 12.014 -14.733 -12.381 1.00 0.00 H new ATOM 0 HB THR A 52 12.679 -14.952 -10.062 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.954 -15.023 -10.776 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.605 -13.609 -8.288 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.540 -12.591 -9.408 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.766 -12.652 -9.532 1.00 0.00 H new ATOM 827 N GLY A 53 10.624 -11.902 -12.486 1.00 0.00 N ATOM 828 CA GLY A 53 9.469 -11.140 -12.965 1.00 0.00 C ATOM 829 C GLY A 53 8.868 -10.188 -11.946 1.00 0.00 C ATOM 830 O GLY A 53 8.145 -9.273 -12.325 1.00 0.00 O ATOM 0 H GLY A 53 11.493 -11.368 -12.452 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.768 -10.568 -13.844 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.698 -11.840 -13.287 1.00 0.00 H new ATOM 834 N ALA A 54 9.192 -10.390 -10.670 1.00 0.00 N ATOM 835 CA ALA A 54 8.754 -9.490 -9.570 1.00 0.00 C ATOM 836 C ALA A 54 7.237 -9.129 -9.606 1.00 0.00 C ATOM 837 O ALA A 54 6.826 -8.097 -9.064 1.00 0.00 O ATOM 838 CB ALA A 54 9.599 -8.220 -9.589 1.00 0.00 C ATOM 0 H ALA A 54 9.763 -11.175 -10.356 1.00 0.00 H new ATOM 0 HA ALA A 54 8.903 -10.040 -8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.280 -7.559 -8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.649 -8.479 -9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.473 -7.713 -10.546 1.00 0.00 H new ATOM 844 N LYS A 55 6.428 -9.989 -10.216 1.00 0.00 N ATOM 845 CA LYS A 55 5.011 -9.790 -10.333 1.00 0.00 C ATOM 846 C LYS A 55 4.177 -10.178 -9.102 1.00 0.00 C ATOM 847 O LYS A 55 4.390 -11.228 -8.494 1.00 0.00 O ATOM 848 CB LYS A 55 4.472 -10.515 -11.524 1.00 0.00 C ATOM 849 CG LYS A 55 3.017 -10.321 -11.635 1.00 0.00 C ATOM 850 CD LYS A 55 2.429 -10.989 -12.807 1.00 0.00 C ATOM 851 CE LYS A 55 0.982 -10.690 -12.805 1.00 0.00 C ATOM 852 NZ LYS A 55 0.276 -11.312 -13.951 1.00 0.00 N ATOM 0 H LYS A 55 6.756 -10.854 -10.646 1.00 0.00 H new ATOM 0 HA LYS A 55 4.908 -8.710 -10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.962 -10.154 -12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.697 -11.578 -11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.537 -10.698 -10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.803 -9.254 -11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.894 -10.632 -13.726 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.599 -12.065 -12.761 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.541 -11.046 -11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.837 -9.610 -12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.735 -11.074 -13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.677 -10.954 -14.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.391 -12.345 -13.910 1.00 0.00 H new ATOM 866 N ASP A 56 3.212 -9.278 -8.763 1.00 0.00 N ATOM 867 CA ASP A 56 2.184 -9.500 -7.698 1.00 0.00 C ATOM 868 C ASP A 56 2.844 -9.841 -6.380 1.00 0.00 C ATOM 869 O ASP A 56 2.292 -10.563 -5.541 1.00 0.00 O ATOM 870 CB ASP A 56 1.191 -10.621 -8.132 1.00 0.00 C ATOM 871 CG ASP A 56 0.230 -10.182 -9.230 1.00 0.00 C ATOM 872 OD1 ASP A 56 0.102 -8.960 -9.465 1.00 0.00 O ATOM 873 OD2 ASP A 56 -0.403 -11.058 -9.869 1.00 0.00 O ATOM 0 H ASP A 56 3.122 -8.372 -9.222 1.00 0.00 H new ATOM 0 HA ASP A 56 1.620 -8.577 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.758 -11.485 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.617 -10.944 -7.264 1.00 0.00 H new ATOM 878 N ARG A 57 4.015 -9.292 -6.212 1.00 0.00 N ATOM 879 CA ARG A 57 4.862 -9.614 -5.089 1.00 0.00 C ATOM 880 C ARG A 57 4.343 -9.210 -3.704 1.00 0.00 C ATOM 881 O ARG A 57 4.478 -9.971 -2.748 1.00 0.00 O ATOM 882 CB ARG A 57 6.242 -9.035 -5.274 1.00 0.00 C ATOM 883 CG ARG A 57 7.012 -9.679 -6.392 1.00 0.00 C ATOM 884 CD ARG A 57 7.190 -11.153 -6.136 1.00 0.00 C ATOM 885 NE ARG A 57 7.852 -11.412 -4.866 1.00 0.00 N ATOM 886 CZ ARG A 57 7.343 -12.205 -3.915 1.00 0.00 C ATOM 887 NH1 ARG A 57 6.175 -12.817 -4.094 1.00 0.00 N ATOM 888 NH2 ARG A 57 8.001 -12.377 -2.794 1.00 0.00 N ATOM 0 H ARG A 57 4.414 -8.605 -6.852 1.00 0.00 H new ATOM 0 HA ARG A 57 4.875 -10.704 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.157 -7.966 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.802 -9.145 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.487 -9.530 -7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.987 -9.202 -6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.216 -11.642 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.773 -11.593 -6.945 1.00 0.00 H new ATOM 0 HE ARG A 57 8.752 -10.965 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.658 -12.684 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.797 -13.419 -3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.895 -11.908 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.619 -12.980 -2.066 1.00 0.00 H new ATOM 902 N CYS A 58 3.760 -8.034 -3.585 1.00 0.00 N ATOM 903 CA CYS A 58 3.389 -7.549 -2.246 1.00 0.00 C ATOM 904 C CYS A 58 1.911 -7.183 -2.229 1.00 0.00 C ATOM 905 O CYS A 58 1.381 -6.693 -3.232 1.00 0.00 O ATOM 906 CB CYS A 58 4.263 -6.307 -1.926 1.00 0.00 C ATOM 907 SG CYS A 58 6.099 -6.632 -1.951 1.00 0.00 S ATOM 0 H CYS A 58 3.534 -7.408 -4.358 1.00 0.00 H new ATOM 0 HA CYS A 58 3.558 -8.320 -1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.035 -5.522 -2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.987 -5.927 -0.943 1.00 0.00 H new ATOM 912 N ARG A 59 1.250 -7.396 -1.110 1.00 0.00 N ATOM 913 CA ARG A 59 -0.168 -7.120 -1.039 1.00 0.00 C ATOM 914 C ARG A 59 -0.473 -6.237 0.166 1.00 0.00 C ATOM 915 O ARG A 59 -0.022 -6.495 1.248 1.00 0.00 O ATOM 916 CB ARG A 59 -0.876 -8.468 -0.875 1.00 0.00 C ATOM 917 CG ARG A 59 -0.666 -9.391 -2.061 1.00 0.00 C ATOM 918 CD ARG A 59 -1.274 -10.752 -1.839 1.00 0.00 C ATOM 919 NE ARG A 59 -2.729 -10.726 -1.736 1.00 0.00 N ATOM 920 CZ ARG A 59 -3.470 -11.792 -1.421 1.00 0.00 C ATOM 921 NH1 ARG A 59 -2.882 -12.953 -1.119 1.00 0.00 N ATOM 922 NH2 ARG A 59 -4.798 -11.694 -1.412 1.00 0.00 N ATOM 0 H ARG A 59 1.665 -7.754 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.504 -6.600 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.512 -8.957 0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.944 -8.298 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.104 -8.940 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.402 -9.499 -2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.987 -11.409 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.860 -11.182 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.208 -9.843 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.865 -13.027 -1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.450 -13.765 -0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.246 -10.808 -1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.368 -12.505 -1.172 1.00 0.00 H new ATOM 936 N ARG A 60 -1.278 -5.245 -0.037 1.00 0.00 N ATOM 937 CA ARG A 60 -1.754 -4.381 1.031 1.00 0.00 C ATOM 938 C ARG A 60 -3.138 -4.785 1.478 1.00 0.00 C ATOM 939 O ARG A 60 -3.888 -5.404 0.724 1.00 0.00 O ATOM 940 CB ARG A 60 -1.661 -2.900 0.649 1.00 0.00 C ATOM 941 CG ARG A 60 -2.351 -2.588 -0.661 1.00 0.00 C ATOM 942 CD ARG A 60 -2.298 -1.115 -1.028 1.00 0.00 C ATOM 943 NE ARG A 60 -2.936 -0.859 -2.330 1.00 0.00 N ATOM 944 CZ ARG A 60 -2.831 0.297 -2.998 1.00 0.00 C ATOM 945 NH1 ARG A 60 -2.421 1.385 -2.371 1.00 0.00 N ATOM 946 NH2 ARG A 60 -3.195 0.369 -4.279 1.00 0.00 N ATOM 0 H ARG A 60 -1.638 -4.996 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.094 -4.511 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.105 -2.297 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.612 -2.613 0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.887 -3.171 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.393 -2.904 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.796 -0.529 -0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.260 -0.784 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.491 -1.606 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.185 1.344 -1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.340 2.266 -2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.555 -0.459 -4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.113 1.252 -4.784 1.00 0.00 H new ATOM 960 N LYS A 61 -3.462 -4.480 2.707 1.00 0.00 N ATOM 961 CA LYS A 61 -4.726 -4.881 3.282 1.00 0.00 C ATOM 962 C LYS A 61 -5.867 -3.968 3.125 1.00 0.00 C ATOM 963 O LYS A 61 -5.726 -2.758 2.956 1.00 0.00 O ATOM 964 CB LYS A 61 -4.643 -5.430 4.672 1.00 0.00 C ATOM 965 CG LYS A 61 -4.152 -6.841 4.709 1.00 0.00 C ATOM 966 CD LYS A 61 -5.146 -7.817 4.051 1.00 0.00 C ATOM 967 CE LYS A 61 -6.428 -7.964 4.850 1.00 0.00 C ATOM 968 NZ LYS A 61 -7.313 -9.019 4.295 1.00 0.00 N ATOM 0 H LYS A 61 -2.862 -3.949 3.338 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.966 -5.712 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.978 -4.803 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.628 -5.380 5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.191 -6.904 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.983 -7.139 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.385 -7.466 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.674 -8.794 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.184 -8.203 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.960 -7.013 4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.177 -9.086 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.567 -8.779 3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.816 -9.932 4.310 1.00 0.00 H new ATOM 982 N SER A 62 -7.014 -4.602 3.118 1.00 0.00 N ATOM 983 CA SER A 62 -8.255 -3.981 2.914 1.00 0.00 C ATOM 984 C SER A 62 -8.710 -3.184 4.139 1.00 0.00 C ATOM 985 O SER A 62 -8.483 -3.598 5.277 1.00 0.00 O ATOM 986 CB SER A 62 -9.221 -5.119 2.670 1.00 0.00 C ATOM 987 OG SER A 62 -9.088 -6.111 3.689 1.00 0.00 O ATOM 0 H SER A 62 -7.087 -5.609 3.263 1.00 0.00 H new ATOM 0 HA SER A 62 -8.201 -3.271 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.243 -4.740 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.030 -5.564 1.693 1.00 0.00 H new ATOM 0 HG SER A 62 -9.720 -6.841 3.520 1.00 0.00 H new ATOM 993 N CYS A 63 -9.458 -2.137 3.885 1.00 0.00 N ATOM 994 CA CYS A 63 -10.023 -1.293 4.929 1.00 0.00 C ATOM 995 C CYS A 63 -11.505 -1.595 5.122 1.00 0.00 C ATOM 996 O CYS A 63 -12.075 -2.427 4.411 1.00 0.00 O ATOM 997 CB CYS A 63 -9.758 0.216 4.692 1.00 0.00 C ATOM 998 SG CYS A 63 -8.573 0.964 5.894 1.00 0.00 S ATOM 0 H CYS A 63 -9.698 -1.838 2.940 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.507 -1.538 5.857 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.371 0.353 3.682 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.704 0.754 4.747 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.106 -0.959 6.097 1.00 0.00 N ATOM 1004 CA ARG A 64 -13.490 -1.233 6.475 1.00 0.00 C ATOM 1005 C ARG A 64 -14.382 0.006 6.509 1.00 0.00 C ATOM 1006 O ARG A 64 -13.999 1.041 6.991 1.00 0.00 O ATOM 1007 CB ARG A 64 -13.456 -1.840 7.843 1.00 0.00 C ATOM 1008 CG ARG A 64 -12.711 -0.944 8.823 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.648 -1.530 10.187 1.00 0.00 C ATOM 1010 NE ARG A 64 -13.945 -1.591 10.856 1.00 0.00 N ATOM 1011 CZ ARG A 64 -14.471 -0.558 11.555 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -13.730 0.532 11.811 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -15.682 -0.650 12.068 1.00 0.00 N ATOM 0 H ARG A 64 -11.658 -0.234 6.658 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.920 -1.893 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.474 -2.004 8.197 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.973 -2.816 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.699 -0.772 8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.203 0.028 8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.234 -2.536 10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.962 -0.941 10.795 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.482 -2.456 10.793 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.767 0.584 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.130 1.308 12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.227 -1.502 11.939 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.074 0.131 12.594 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.594 -0.129 6.023 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.543 0.970 6.083 1.00 0.00 C ATOM 1029 C ASN A 65 -18.034 0.507 6.193 1.00 0.00 C ATOM 1030 O ASN A 65 -18.917 1.211 5.715 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.377 1.893 4.876 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.168 3.347 5.272 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -16.754 4.247 4.682 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -15.303 3.580 6.244 1.00 0.00 N ATOM 0 H ASN A 65 -15.949 -0.979 5.584 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.312 1.511 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.528 1.557 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.260 1.817 4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.102 4.539 6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.837 2.801 6.709 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.351 -0.679 6.839 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.754 -1.100 7.056 1.00 0.00 C ATOM 1043 C PRO A 66 -20.671 -0.009 7.701 1.00 0.00 C ATOM 1044 O PRO A 66 -21.824 0.128 7.294 1.00 0.00 O ATOM 1045 CB PRO A 66 -19.621 -2.272 8.032 1.00 0.00 C ATOM 1046 CG PRO A 66 -18.297 -2.860 7.735 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.406 -1.708 7.372 1.00 0.00 C ATOM 0 HA PRO A 66 -20.228 -1.329 6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.681 -1.934 9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.419 -3.000 7.887 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.906 -3.399 8.598 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.363 -3.576 6.916 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.859 -1.337 8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.665 -1.995 6.626 1.00 0.00 H new ATOM 1055 N PRO A 67 -20.180 0.763 8.741 1.00 0.00 N ATOM 1056 CA PRO A 67 -21.026 1.744 9.474 1.00 0.00 C ATOM 1057 C PRO A 67 -21.604 2.870 8.616 1.00 0.00 C ATOM 1058 O PRO A 67 -22.710 3.328 8.885 1.00 0.00 O ATOM 1059 CB PRO A 67 -20.033 2.356 10.481 1.00 0.00 C ATOM 1060 CG PRO A 67 -18.700 2.117 9.859 1.00 0.00 C ATOM 1061 CD PRO A 67 -18.806 0.752 9.293 1.00 0.00 C ATOM 0 HA PRO A 67 -21.901 1.247 9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -20.220 3.420 10.630 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -20.109 1.879 11.458 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -18.483 2.854 9.086 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.899 2.182 10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -18.057 0.569 8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -18.676 -0.018 10.054 1.00 0.00 H new ATOM 1069 N ASP A 68 -20.870 3.249 7.541 1.00 0.00 N ATOM 1070 CA ASP A 68 -21.211 4.399 6.655 1.00 0.00 C ATOM 1071 C ASP A 68 -21.644 5.713 7.430 1.00 0.00 C ATOM 1072 O ASP A 68 -21.948 5.692 8.620 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.199 4.003 5.513 1.00 0.00 C ATOM 1074 CG ASP A 68 -23.440 3.255 5.952 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -24.394 3.898 6.409 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.485 2.017 5.778 1.00 0.00 O ATOM 0 H ASP A 68 -20.018 2.764 7.259 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.274 4.670 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.508 4.910 4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.663 3.388 4.790 1.00 0.00 H new ATOM 1081 N PRO A 69 -21.578 6.891 6.762 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.943 8.175 7.365 1.00 0.00 C ATOM 1083 C PRO A 69 -23.408 8.283 7.643 1.00 0.00 C ATOM 1084 O PRO A 69 -24.214 7.670 6.952 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.560 9.222 6.339 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.763 8.516 5.337 1.00 0.00 C ATOM 1087 CD PRO A 69 -21.161 7.066 5.381 1.00 0.00 C ATOM 0 HA PRO A 69 -21.436 8.295 8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.445 9.673 5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.989 10.029 6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.939 8.932 4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.699 8.628 5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.969 6.847 4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.330 6.410 5.123 1.00 0.00 H new ATOM 1095 N VAL A 70 -23.759 9.072 8.633 1.00 0.00 N ATOM 1096 CA VAL A 70 -25.144 9.234 8.981 1.00 0.00 C ATOM 1097 C VAL A 70 -25.953 9.833 7.786 1.00 0.00 C ATOM 1098 O VAL A 70 -27.032 9.342 7.464 1.00 0.00 O ATOM 1099 CB VAL A 70 -25.277 10.144 10.243 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -24.649 11.497 9.993 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -26.731 10.291 10.646 1.00 0.00 C ATOM 0 H VAL A 70 -23.106 9.607 9.206 1.00 0.00 H new ATOM 0 HA VAL A 70 -25.559 8.252 9.210 1.00 0.00 H new ATOM 0 HB VAL A 70 -24.743 9.669 11.066 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.752 12.116 10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -23.592 11.370 9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.150 11.981 9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -26.802 10.929 11.527 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -27.292 10.741 9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -27.146 9.309 10.874 1.00 0.00 H new ATOM 1111 N ASN A 71 -25.430 10.893 7.141 1.00 0.00 N ATOM 1112 CA ASN A 71 -26.037 11.410 5.897 1.00 0.00 C ATOM 1113 C ASN A 71 -25.908 10.353 4.779 1.00 0.00 C ATOM 1114 O ASN A 71 -26.819 10.119 3.989 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.459 12.782 5.458 1.00 0.00 C ATOM 1116 CG ASN A 71 -26.280 13.437 4.320 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -26.957 12.770 3.549 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -26.232 14.755 4.238 1.00 0.00 N ATOM 0 H ASN A 71 -24.603 11.402 7.453 1.00 0.00 H new ATOM 0 HA ASN A 71 -27.093 11.593 6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -25.435 13.453 6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -24.429 12.649 5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -26.768 15.241 3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -25.659 15.286 4.894 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.732 9.699 4.754 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.410 8.732 3.704 1.00 0.00 C ATOM 1127 C GLY A 72 -23.587 9.362 2.587 1.00 0.00 C ATOM 1128 O GLY A 72 -23.707 8.997 1.425 1.00 0.00 O ATOM 0 H GLY A 72 -23.996 9.826 5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.858 7.897 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.332 8.324 3.290 1.00 0.00 H new ATOM 1132 N MET A 73 -22.734 10.311 2.978 1.00 0.00 N ATOM 1133 CA MET A 73 -21.952 11.133 2.045 1.00 0.00 C ATOM 1134 C MET A 73 -20.473 10.701 1.853 1.00 0.00 C ATOM 1135 O MET A 73 -19.658 11.513 1.417 1.00 0.00 O ATOM 1136 CB MET A 73 -22.020 12.576 2.497 1.00 0.00 C ATOM 1137 CG MET A 73 -23.393 13.183 2.323 1.00 0.00 C ATOM 1138 SD MET A 73 -23.512 14.843 2.970 1.00 0.00 S ATOM 1139 CE MET A 73 -22.438 15.713 1.884 1.00 0.00 C ATOM 0 H MET A 73 -22.563 10.534 3.959 1.00 0.00 H new ATOM 0 HA MET A 73 -22.406 10.993 1.064 1.00 0.00 H new ATOM 0 HB2 MET A 73 -21.732 12.637 3.546 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.295 13.163 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 73 -23.647 13.193 1.263 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.129 12.552 2.821 1.00 0.00 H new ATOM 0 HE1 MET A 73 -21.548 16.029 2.428 1.00 0.00 H new ATOM 0 HE2 MET A 73 -22.147 15.061 1.061 1.00 0.00 H new ATOM 0 HE3 MET A 73 -22.952 16.589 1.489 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.116 9.446 2.161 1.00 0.00 N ATOM 1150 CA VAL A 74 -18.732 9.009 1.888 1.00 0.00 C ATOM 1151 C VAL A 74 -18.456 8.888 0.408 1.00 0.00 C ATOM 1152 O VAL A 74 -19.226 8.302 -0.349 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.332 7.648 2.588 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -17.020 7.114 2.017 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -18.089 7.875 4.042 1.00 0.00 C ATOM 0 H VAL A 74 -20.727 8.744 2.578 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.117 9.799 2.320 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.148 6.945 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.762 6.177 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -17.133 6.940 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.227 7.843 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.814 6.933 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.280 8.594 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -18.995 8.264 4.506 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.344 9.472 0.012 1.00 0.00 N ATOM 1166 CA HIS A 75 -16.822 9.327 -1.317 1.00 0.00 C ATOM 1167 C HIS A 75 -15.556 8.527 -1.221 1.00 0.00 C ATOM 1168 O HIS A 75 -14.623 8.929 -0.518 1.00 0.00 O ATOM 1169 CB HIS A 75 -16.546 10.692 -1.970 1.00 0.00 C ATOM 1170 CG HIS A 75 -17.789 11.502 -2.259 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -17.764 12.789 -2.746 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.102 11.183 -2.140 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -19.002 13.220 -2.921 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -19.831 12.265 -2.560 1.00 0.00 N ATOM 0 H HIS A 75 -16.776 10.066 0.616 1.00 0.00 H new ATOM 0 HA HIS A 75 -17.555 8.821 -1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -15.893 11.270 -1.316 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.004 10.533 -2.902 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.501 10.246 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -19.285 14.192 -3.297 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -20.849 12.320 -2.588 1.00 0.00 H new ATOM 1182 N VAL A 76 -15.491 7.396 -1.914 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.331 6.542 -1.780 1.00 0.00 C ATOM 1184 C VAL A 76 -13.408 6.724 -2.984 1.00 0.00 C ATOM 1185 O VAL A 76 -13.745 6.332 -4.096 1.00 0.00 O ATOM 1186 CB VAL A 76 -14.756 5.053 -1.688 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -13.593 4.201 -1.286 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -15.938 4.856 -0.736 1.00 0.00 C ATOM 0 H VAL A 76 -16.209 7.061 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.806 6.821 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.088 4.741 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -13.909 3.159 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.798 4.298 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -13.224 4.525 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.204 3.800 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.661 5.195 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -16.792 5.433 -1.091 1.00 0.00 H new ATOM 1198 N ILE A 77 -12.261 7.332 -2.751 1.00 0.00 N ATOM 1199 CA ILE A 77 -11.307 7.588 -3.817 1.00 0.00 C ATOM 1200 C ILE A 77 -10.719 6.302 -4.444 1.00 0.00 C ATOM 1201 O ILE A 77 -10.609 6.185 -5.662 1.00 0.00 O ATOM 1202 CB ILE A 77 -10.145 8.460 -3.288 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -10.638 9.864 -2.930 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -9.030 8.549 -4.317 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -9.609 10.661 -2.190 1.00 0.00 C ATOM 0 H ILE A 77 -11.965 7.659 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.862 8.106 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.755 7.987 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.915 10.392 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.539 9.785 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.222 9.167 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.651 7.549 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -9.416 8.995 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.010 11.648 -1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.350 10.150 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.717 10.766 -2.807 1.00 0.00 H new ATOM 1217 N LYS A 78 -10.350 5.347 -3.588 1.00 0.00 N ATOM 1218 CA LYS A 78 -9.665 4.109 -4.045 1.00 0.00 C ATOM 1219 C LYS A 78 -10.451 2.788 -3.906 1.00 0.00 C ATOM 1220 O LYS A 78 -9.901 1.731 -4.157 1.00 0.00 O ATOM 1221 CB LYS A 78 -8.287 3.986 -3.412 1.00 0.00 C ATOM 1222 CG LYS A 78 -7.330 5.111 -3.793 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.033 5.070 -5.285 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.085 6.167 -5.708 1.00 0.00 C ATOM 1225 NZ LYS A 78 -5.781 6.104 -7.164 1.00 0.00 N ATOM 0 H LYS A 78 -10.507 5.394 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.580 4.247 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.396 3.967 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.847 3.033 -3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.767 6.074 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.403 5.016 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.603 4.102 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.965 5.163 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.522 7.137 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.159 6.086 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.127 6.873 -7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.341 5.188 -7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.662 6.207 -7.707 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.701 2.845 -3.536 1.00 0.00 N ATOM 1240 CA GLY A 79 -12.477 1.602 -3.385 1.00 0.00 C ATOM 1241 C GLY A 79 -12.332 0.909 -2.019 1.00 0.00 C ATOM 1242 O GLY A 79 -12.685 -0.256 -1.890 1.00 0.00 O ATOM 0 H GLY A 79 -12.211 3.705 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.531 1.826 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.172 0.904 -4.164 1.00 0.00 H new ATOM 1246 N ILE A 80 -11.788 1.624 -1.009 1.00 0.00 N ATOM 1247 CA ILE A 80 -11.664 1.080 0.377 1.00 0.00 C ATOM 1248 C ILE A 80 -10.462 0.099 0.488 1.00 0.00 C ATOM 1249 O ILE A 80 -10.627 -1.117 0.536 1.00 0.00 O ATOM 1250 CB ILE A 80 -12.985 0.361 0.871 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -14.224 1.294 0.815 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -12.818 -0.173 2.286 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.122 2.527 1.693 1.00 0.00 C ATOM 0 H ILE A 80 -11.428 2.572 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.492 1.939 1.026 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.157 -0.469 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -14.379 1.610 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.106 0.725 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.740 -0.662 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.999 -0.892 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.595 0.652 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.030 3.121 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.000 2.224 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.263 3.123 1.385 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.264 0.658 0.493 1.00 0.00 N ATOM 1266 CA GLN A 81 -8.016 -0.128 0.544 1.00 0.00 C ATOM 1267 C GLN A 81 -6.965 0.683 1.308 1.00 0.00 C ATOM 1268 O GLN A 81 -7.179 1.857 1.582 1.00 0.00 O ATOM 1269 CB GLN A 81 -7.523 -0.399 -0.888 1.00 0.00 C ATOM 1270 CG GLN A 81 -6.303 -1.305 -1.027 1.00 0.00 C ATOM 1271 CD GLN A 81 -6.565 -2.733 -0.600 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -5.595 -3.335 0.022 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -7.641 -3.274 -0.814 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.116 1.667 0.462 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.189 -1.080 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.343 -0.842 -1.453 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.293 0.558 -1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.971 -1.299 -2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.487 -0.898 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.378 -2.768 -1.306 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.802 -4.231 -0.501 1.00 0.00 H new ATOM 1282 N PHE A 82 -5.855 0.063 1.673 1.00 0.00 N ATOM 1283 CA PHE A 82 -4.751 0.803 2.286 1.00 0.00 C ATOM 1284 C PHE A 82 -4.212 1.876 1.362 1.00 0.00 C ATOM 1285 O PHE A 82 -3.913 1.630 0.191 1.00 0.00 O ATOM 1286 CB PHE A 82 -3.632 -0.149 2.632 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.359 0.566 3.004 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.290 1.417 4.098 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.224 0.396 2.218 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.115 2.096 4.386 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.054 1.057 2.508 1.00 0.00 C ATOM 1292 CZ PHE A 82 0.006 1.911 3.590 1.00 0.00 C ATOM 0 H PHE A 82 -5.690 -0.937 1.560 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.136 1.284 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.943 -0.784 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.441 -0.805 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.156 1.551 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.263 -0.266 1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.073 2.769 5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.818 0.908 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.923 2.434 3.817 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.094 3.076 1.916 1.00 0.00 N ATOM 1303 CA GLY A 83 -3.648 4.221 1.162 1.00 0.00 C ATOM 1304 C GLY A 83 -4.826 4.981 0.597 1.00 0.00 C ATOM 1305 O GLY A 83 -4.678 6.088 0.084 1.00 0.00 O ATOM 0 H GLY A 83 -4.305 3.273 2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.059 4.877 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.995 3.897 0.351 1.00 0.00 H new ATOM 1309 N SER A 84 -5.995 4.368 0.679 1.00 0.00 N ATOM 1310 CA SER A 84 -7.215 4.986 0.224 1.00 0.00 C ATOM 1311 C SER A 84 -7.643 6.074 1.177 1.00 0.00 C ATOM 1312 O SER A 84 -7.447 5.969 2.396 1.00 0.00 O ATOM 1313 CB SER A 84 -8.339 3.952 0.033 1.00 0.00 C ATOM 1314 OG SER A 84 -9.535 4.555 -0.462 1.00 0.00 O ATOM 0 H SER A 84 -6.118 3.431 1.063 1.00 0.00 H new ATOM 0 HA SER A 84 -7.017 5.434 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.008 3.179 -0.660 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.546 3.460 0.984 1.00 0.00 H new ATOM 0 HG SER A 84 -10.298 3.969 -0.276 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.202 7.108 0.627 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.729 8.196 1.399 1.00 0.00 C ATOM 1322 C GLN A 85 -10.169 8.463 1.002 1.00 0.00 C ATOM 1323 O GLN A 85 -10.512 8.449 -0.182 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.869 9.418 1.245 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.373 10.608 2.022 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.400 11.772 1.968 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.219 11.596 1.690 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -7.881 12.950 2.276 1.00 0.00 N ATOM 0 H GLN A 85 -8.307 7.223 -0.381 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.718 7.926 2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.856 9.183 1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.811 9.681 0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.337 10.922 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.538 10.320 3.060 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.870 13.054 2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.266 13.764 2.291 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.008 8.663 1.980 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.436 8.834 1.760 1.00 0.00 C ATOM 1339 C ILE A 86 -12.959 10.091 2.443 1.00 0.00 C ATOM 1340 O ILE A 86 -12.316 10.621 3.332 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.187 7.618 2.275 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -12.937 7.478 3.754 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -12.721 6.361 1.553 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.741 6.403 4.397 1.00 0.00 C ATOM 0 H ILE A 86 -10.730 8.714 2.960 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.600 8.940 0.688 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.253 7.748 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.879 7.275 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.158 8.427 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.269 5.499 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.906 6.466 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.654 6.218 1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.508 6.361 5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.802 6.615 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.502 5.445 3.936 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.129 10.574 2.016 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.668 11.827 2.556 1.00 0.00 C ATOM 1358 C LYS A 87 -15.899 11.568 3.446 1.00 0.00 C ATOM 1359 O LYS A 87 -16.727 10.732 3.137 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.074 12.723 1.376 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.945 13.569 0.772 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.662 12.750 0.568 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.695 13.433 -0.378 1.00 0.00 C ATOM 1364 NZ LYS A 87 -10.289 13.055 -0.109 1.00 0.00 N ATOM 0 H LYS A 87 -14.713 10.126 1.310 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.905 12.308 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.493 12.093 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.869 13.392 1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.270 13.979 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.735 14.415 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.176 12.592 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.919 11.766 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.949 13.173 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.803 14.514 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.682 13.406 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.984 13.473 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.212 12.019 -0.054 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.993 12.323 4.527 1.00 0.00 N ATOM 1379 CA TYR A 88 -17.088 12.227 5.502 1.00 0.00 C ATOM 1380 C TYR A 88 -17.858 13.510 5.662 1.00 0.00 C ATOM 1381 O TYR A 88 -18.134 13.942 6.788 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.589 11.745 6.854 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.400 10.257 6.930 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.491 9.429 7.190 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -15.164 9.676 6.768 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -17.344 8.063 7.290 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -15.011 8.303 6.870 1.00 0.00 C ATOM 1388 CZ TYR A 88 -16.108 7.505 7.127 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.964 6.150 7.227 1.00 0.00 O ATOM 0 H TYR A 88 -15.303 13.035 4.764 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.778 11.489 5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.641 12.235 7.078 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.297 12.053 7.624 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.470 9.867 7.315 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.305 10.296 6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -18.200 7.438 7.496 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.035 7.857 6.749 1.00 0.00 H new ATOM 0 HH TYR A 88 -16.792 5.711 6.941 1.00 0.00 H new ATOM 1399 N SER A 89 -18.208 14.128 4.575 1.00 0.00 N ATOM 1400 CA SER A 89 -18.936 15.359 4.679 1.00 0.00 C ATOM 1401 C SER A 89 -20.415 15.124 5.069 1.00 0.00 C ATOM 1402 O SER A 89 -21.002 14.093 4.759 1.00 0.00 O ATOM 1403 CB SER A 89 -18.822 16.102 3.351 1.00 0.00 C ATOM 1404 OG SER A 89 -19.134 15.245 2.264 1.00 0.00 O ATOM 0 H SER A 89 -18.008 13.811 3.626 1.00 0.00 H new ATOM 0 HA SER A 89 -18.505 15.964 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 89 -19.496 16.958 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 89 -17.811 16.492 3.233 1.00 0.00 H new ATOM 0 HG SER A 89 -19.056 15.742 1.423 1.00 0.00 H new ATOM 1410 N CYS A 90 -20.958 16.053 5.813 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.404 16.072 6.204 1.00 0.00 C ATOM 1412 C CYS A 90 -23.190 16.988 5.272 1.00 0.00 C ATOM 1413 O CYS A 90 -24.388 16.780 5.064 1.00 0.00 O ATOM 1414 CB CYS A 90 -22.435 16.600 7.617 1.00 0.00 C ATOM 1415 SG CYS A 90 -21.432 15.687 8.824 1.00 0.00 S ATOM 0 H CYS A 90 -20.429 16.842 6.185 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.857 15.083 6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -22.100 17.637 7.605 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -23.469 16.603 7.961 1.00 0.00 H new ATOM 1420 N THR A 91 -22.514 18.023 4.754 1.00 0.00 N ATOM 1421 CA THR A 91 -23.170 19.136 4.068 1.00 0.00 C ATOM 1422 C THR A 91 -22.107 20.114 3.474 1.00 0.00 C ATOM 1423 O THR A 91 -20.931 20.013 3.797 1.00 0.00 O ATOM 1424 CB THR A 91 -24.072 19.870 5.122 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.302 19.168 5.295 1.00 0.00 O ATOM 1426 CG2 THR A 91 -24.342 21.327 4.800 1.00 0.00 C ATOM 0 H THR A 91 -21.499 18.109 4.801 1.00 0.00 H new ATOM 0 HA THR A 91 -23.775 18.772 3.238 1.00 0.00 H new ATOM 0 HB THR A 91 -23.504 19.869 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.238 18.287 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 91 -24.972 21.761 5.577 1.00 0.00 H new ATOM 0 HG22 THR A 91 -23.398 21.870 4.753 1.00 0.00 H new ATOM 0 HG23 THR A 91 -24.850 21.399 3.838 1.00 0.00 H new ATOM 1434 N LYS A 92 -22.521 20.996 2.559 1.00 0.00 N ATOM 1435 CA LYS A 92 -21.657 22.040 2.044 1.00 0.00 C ATOM 1436 C LYS A 92 -21.185 23.031 3.109 1.00 0.00 C ATOM 1437 O LYS A 92 -20.007 23.379 3.169 1.00 0.00 O ATOM 1438 CB LYS A 92 -22.362 22.777 0.912 1.00 0.00 C ATOM 1439 CG LYS A 92 -21.546 23.901 0.360 1.00 0.00 C ATOM 1440 CD LYS A 92 -20.271 23.425 -0.248 1.00 0.00 C ATOM 1441 CE LYS A 92 -19.551 24.583 -0.862 1.00 0.00 C ATOM 1442 NZ LYS A 92 -18.264 24.193 -1.461 1.00 0.00 N ATOM 0 H LYS A 92 -23.461 20.999 2.162 1.00 0.00 H new ATOM 0 HA LYS A 92 -20.758 21.547 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -22.591 22.073 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -23.313 23.168 1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -22.128 24.435 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -21.324 24.612 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -19.646 22.955 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -20.476 22.668 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -20.182 25.035 -1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.378 25.344 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -17.805 25.030 -1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.649 23.786 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.428 23.487 -2.206 1.00 0.00 H new ATOM 1456 N GLY A 93 -22.097 23.484 3.925 1.00 0.00 N ATOM 1457 CA GLY A 93 -21.739 24.405 4.965 1.00 0.00 C ATOM 1458 C GLY A 93 -22.058 23.847 6.325 1.00 0.00 C ATOM 1459 O GLY A 93 -23.116 24.129 6.885 1.00 0.00 O ATOM 0 H GLY A 93 -23.085 23.232 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -20.674 24.630 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -22.273 25.344 4.821 1.00 0.00 H new ATOM 1463 N TYR A 94 -21.159 23.042 6.852 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.368 22.427 8.165 1.00 0.00 C ATOM 1465 C TYR A 94 -19.998 22.216 8.803 1.00 0.00 C ATOM 1466 O TYR A 94 -18.991 22.278 8.104 1.00 0.00 O ATOM 1467 CB TYR A 94 -22.023 21.050 8.011 1.00 0.00 C ATOM 1468 CG TYR A 94 -21.008 19.978 7.714 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.336 19.934 6.519 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.674 19.057 8.681 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.351 18.994 6.282 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.690 18.121 8.462 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.037 18.082 7.258 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.056 17.135 7.028 1.00 0.00 O ATOM 0 H TYR A 94 -20.278 22.793 6.402 1.00 0.00 H new ATOM 0 HA TYR A 94 -22.008 23.071 8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.560 20.799 8.926 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -22.760 21.086 7.208 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -20.582 20.649 5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -21.193 19.069 9.628 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -18.832 18.977 5.335 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.432 17.417 9.239 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.188 17.580 6.935 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.937 21.980 10.098 1.00 0.00 N ATOM 1485 CA ARG A 95 -18.653 21.698 10.685 1.00 0.00 C ATOM 1486 C ARG A 95 -18.618 20.206 10.925 1.00 0.00 C ATOM 1487 O ARG A 95 -19.601 19.642 11.418 1.00 0.00 O ATOM 1488 CB ARG A 95 -18.506 22.385 12.054 1.00 0.00 C ATOM 1489 CG ARG A 95 -18.594 23.869 11.969 1.00 0.00 C ATOM 1490 CD ARG A 95 -18.423 24.553 13.315 1.00 0.00 C ATOM 1491 NE ARG A 95 -18.566 26.011 13.190 1.00 0.00 N ATOM 1492 CZ ARG A 95 -17.920 26.913 13.934 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -16.992 26.526 14.813 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -18.200 28.214 13.795 1.00 0.00 N ATOM 0 H ARG A 95 -20.730 21.978 10.739 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.859 22.052 10.027 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.283 22.018 12.725 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -17.548 22.107 12.493 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.830 24.234 11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -19.560 24.146 11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -19.164 24.171 14.017 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -17.442 24.315 13.725 1.00 0.00 H new ATOM 0 HE ARG A 95 -19.209 26.361 12.480 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -16.772 25.536 14.920 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.503 27.221 15.377 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -18.905 28.515 13.122 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -17.708 28.905 14.362 1.00 0.00 H new ATOM 1508 N LEU A 96 -17.545 19.547 10.593 1.00 0.00 N ATOM 1509 CA LEU A 96 -17.455 18.170 10.987 1.00 0.00 C ATOM 1510 C LEU A 96 -16.540 18.157 12.167 1.00 0.00 C ATOM 1511 O LEU A 96 -15.408 18.629 12.077 1.00 0.00 O ATOM 1512 CB LEU A 96 -16.796 17.311 9.910 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.828 15.798 10.170 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -18.230 15.268 10.117 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.970 15.060 9.227 1.00 0.00 C ATOM 0 H LEU A 96 -16.751 19.920 10.073 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.453 17.775 11.180 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.288 17.510 8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.757 17.623 9.804 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.434 15.642 11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.220 14.194 10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.835 15.764 10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.655 15.460 9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.022 13.994 9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.312 15.238 8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.940 15.402 9.329 1.00 0.00 H new ATOM 1527 N ILE A 97 -17.020 17.676 13.271 1.00 0.00 N ATOM 1528 CA ILE A 97 -16.208 17.622 14.464 1.00 0.00 C ATOM 1529 C ILE A 97 -15.042 16.648 14.263 1.00 0.00 C ATOM 1530 O ILE A 97 -13.895 16.924 14.601 1.00 0.00 O ATOM 1531 CB ILE A 97 -17.048 17.229 15.695 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -18.258 18.173 15.817 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -16.195 17.310 16.958 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -17.910 19.651 15.982 1.00 0.00 C ATOM 0 H ILE A 97 -17.967 17.314 13.379 1.00 0.00 H new ATOM 0 HA ILE A 97 -15.804 18.617 14.649 1.00 0.00 H new ATOM 0 HB ILE A 97 -17.401 16.205 15.575 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -18.880 18.059 14.929 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -18.860 17.860 16.670 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -16.797 17.031 17.822 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -15.349 16.629 16.870 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -15.829 18.329 17.085 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -18.827 20.234 16.059 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -17.317 19.786 16.886 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -17.337 19.989 15.118 1.00 0.00 H new ATOM 1546 N GLY A 98 -15.387 15.497 13.684 1.00 0.00 N ATOM 1547 CA GLY A 98 -14.445 14.434 13.457 1.00 0.00 C ATOM 1548 C GLY A 98 -13.678 14.549 12.177 1.00 0.00 C ATOM 1549 O GLY A 98 -13.713 15.575 11.491 1.00 0.00 O ATOM 0 H GLY A 98 -16.333 15.289 13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.740 14.407 14.288 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -14.980 13.484 13.462 1.00 0.00 H new ATOM 1553 N SER A 99 -12.965 13.490 11.877 1.00 0.00 N ATOM 1554 CA SER A 99 -12.118 13.410 10.699 1.00 0.00 C ATOM 1555 C SER A 99 -12.948 13.562 9.408 1.00 0.00 C ATOM 1556 O SER A 99 -13.825 12.751 9.119 1.00 0.00 O ATOM 1557 CB SER A 99 -11.428 12.044 10.734 1.00 0.00 C ATOM 1558 OG SER A 99 -12.246 11.131 11.426 1.00 0.00 O ATOM 0 H SER A 99 -12.953 12.645 12.449 1.00 0.00 H new ATOM 0 HA SER A 99 -11.386 14.217 10.703 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.244 11.690 9.720 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.458 12.126 11.224 1.00 0.00 H new ATOM 0 HG SER A 99 -12.010 11.136 12.377 1.00 0.00 H new ATOM 1564 N SER A 100 -12.693 14.654 8.689 1.00 0.00 N ATOM 1565 CA SER A 100 -13.328 14.953 7.416 1.00 0.00 C ATOM 1566 C SER A 100 -13.010 13.929 6.347 1.00 0.00 C ATOM 1567 O SER A 100 -13.881 13.528 5.585 1.00 0.00 O ATOM 1568 CB SER A 100 -12.966 16.369 6.944 1.00 0.00 C ATOM 1569 OG SER A 100 -13.853 16.818 5.932 1.00 0.00 O ATOM 0 H SER A 100 -12.026 15.366 8.985 1.00 0.00 H new ATOM 0 HA SER A 100 -14.404 14.904 7.584 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.998 17.056 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.944 16.378 6.565 1.00 0.00 H new ATOM 0 HG SER A 100 -13.599 17.722 5.652 1.00 0.00 H new ATOM 1575 N SER A 101 -11.769 13.526 6.269 1.00 0.00 N ATOM 1576 CA SER A 101 -11.386 12.578 5.274 1.00 0.00 C ATOM 1577 C SER A 101 -10.565 11.474 5.914 1.00 0.00 C ATOM 1578 O SER A 101 -9.432 11.698 6.336 1.00 0.00 O ATOM 1579 CB SER A 101 -10.592 13.286 4.161 1.00 0.00 C ATOM 1580 OG SER A 101 -10.501 12.491 2.991 1.00 0.00 O ATOM 0 H SER A 101 -11.016 13.841 6.881 1.00 0.00 H new ATOM 0 HA SER A 101 -12.274 12.131 4.827 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.072 14.234 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.590 13.518 4.521 1.00 0.00 H new ATOM 0 HG SER A 101 -11.059 11.692 3.094 1.00 0.00 H new ATOM 1586 N ALA A 102 -11.150 10.295 5.998 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.484 9.150 6.570 1.00 0.00 C ATOM 1588 C ALA A 102 -9.368 8.672 5.671 1.00 0.00 C ATOM 1589 O ALA A 102 -9.499 8.688 4.438 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.464 8.034 6.809 1.00 0.00 C ATOM 0 H ALA A 102 -12.098 10.108 5.671 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.055 9.454 7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.944 7.179 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.239 8.372 7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.920 7.741 5.863 1.00 0.00 H new ATOM 1596 N THR A 103 -8.302 8.248 6.270 1.00 0.00 N ATOM 1597 CA THR A 103 -7.184 7.728 5.560 1.00 0.00 C ATOM 1598 C THR A 103 -6.873 6.315 6.072 1.00 0.00 C ATOM 1599 O THR A 103 -6.796 6.097 7.278 1.00 0.00 O ATOM 1600 CB THR A 103 -5.957 8.631 5.766 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.284 9.960 5.335 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.784 8.121 4.937 1.00 0.00 C ATOM 0 H THR A 103 -8.184 8.255 7.283 1.00 0.00 H new ATOM 0 HA THR A 103 -7.421 7.693 4.497 1.00 0.00 H new ATOM 0 HB THR A 103 -5.681 8.626 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.509 10.546 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.921 8.769 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.535 7.105 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.056 8.124 3.881 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.730 5.363 5.176 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.406 3.994 5.578 1.00 0.00 C ATOM 1612 C CYS A 104 -4.903 3.875 5.853 1.00 0.00 C ATOM 1613 O CYS A 104 -4.077 4.136 4.971 1.00 0.00 O ATOM 1614 CB CYS A 104 -6.813 3.031 4.447 1.00 0.00 C ATOM 1615 SG CYS A 104 -6.842 1.247 4.881 1.00 0.00 S ATOM 0 H CYS A 104 -6.830 5.500 4.170 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.949 3.739 6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -7.804 3.315 4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.126 3.171 3.613 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.564 3.464 7.072 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.171 3.316 7.487 1.00 0.00 C ATOM 1622 C ILE A 105 -2.903 1.923 8.049 1.00 0.00 C ATOM 1623 O ILE A 105 -3.829 1.197 8.416 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.691 4.416 8.503 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.505 4.389 9.817 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.728 5.810 7.871 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.785 5.209 9.771 1.00 0.00 C ATOM 0 H ILE A 105 -5.242 3.225 7.796 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.584 3.455 6.579 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.657 4.182 8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.757 3.355 10.055 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.878 4.759 10.628 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.391 6.548 8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.072 5.832 7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.747 6.043 7.564 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.297 5.138 10.730 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.542 6.252 9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.434 4.826 8.984 1.00 0.00 H new ATOM 1639 N ILE A 106 -1.639 1.548 8.108 1.00 0.00 N ATOM 1640 CA ILE A 106 -1.265 0.207 8.534 1.00 0.00 C ATOM 1641 C ILE A 106 -1.049 0.146 10.061 1.00 0.00 C ATOM 1642 O ILE A 106 -0.283 0.922 10.624 1.00 0.00 O ATOM 1643 CB ILE A 106 0.090 -0.204 7.879 1.00 0.00 C ATOM 1644 CG1 ILE A 106 0.022 -0.187 6.342 1.00 0.00 C ATOM 1645 CG2 ILE A 106 0.535 -1.563 8.384 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -0.986 -1.121 5.749 1.00 0.00 C ATOM 0 H ILE A 106 -0.852 2.151 7.867 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.075 -0.459 8.236 1.00 0.00 H new ATOM 0 HB ILE A 106 0.831 0.539 8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.205 0.827 6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.006 -0.437 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.482 -1.833 7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.663 -1.525 9.466 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.219 -2.309 8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.962 -1.040 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.750 -2.144 6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.981 -0.860 6.110 1.00 0.00 H new ATOM 1658 N SER A 107 -1.766 -0.783 10.702 1.00 0.00 N ATOM 1659 CA SER A 107 -1.622 -1.065 12.132 1.00 0.00 C ATOM 1660 C SER A 107 -0.532 -2.118 12.336 1.00 0.00 C ATOM 1661 O SER A 107 -0.152 -2.440 13.459 1.00 0.00 O ATOM 1662 CB SER A 107 -2.957 -1.577 12.706 1.00 0.00 C ATOM 1663 OG SER A 107 -3.982 -0.617 12.545 1.00 0.00 O ATOM 0 H SER A 107 -2.466 -1.363 10.240 1.00 0.00 H new ATOM 0 HA SER A 107 -1.343 -0.149 12.652 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.240 -2.503 12.206 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.836 -1.810 13.764 1.00 0.00 H new ATOM 0 HG SER A 107 -4.819 -0.967 12.916 1.00 0.00 H new ATOM 1669 N GLY A 108 -0.073 -2.660 11.224 1.00 0.00 N ATOM 1670 CA GLY A 108 0.902 -3.723 11.212 1.00 0.00 C ATOM 1671 C GLY A 108 0.240 -5.039 10.867 1.00 0.00 C ATOM 1672 O GLY A 108 0.427 -5.562 9.774 1.00 0.00 O ATOM 0 H GLY A 108 -0.373 -2.368 10.294 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.684 -3.500 10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.384 -3.795 12.187 1.00 0.00 H new ATOM 1676 N ASP A 109 -0.524 -5.570 11.808 1.00 0.00 N ATOM 1677 CA ASP A 109 -1.330 -6.790 11.593 1.00 0.00 C ATOM 1678 C ASP A 109 -2.435 -6.574 10.545 1.00 0.00 C ATOM 1679 O ASP A 109 -2.710 -7.437 9.714 1.00 0.00 O ATOM 1680 CB ASP A 109 -1.974 -7.233 12.911 1.00 0.00 C ATOM 1681 CG ASP A 109 -2.578 -8.623 12.835 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -2.104 -9.439 12.032 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -3.561 -8.889 13.556 1.00 0.00 O ATOM 0 H ASP A 109 -0.612 -5.178 12.746 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.654 -7.561 11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -1.224 -7.211 13.702 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.750 -6.520 13.188 1.00 0.00 H new ATOM 1688 N THR A 110 -3.047 -5.408 10.610 1.00 0.00 N ATOM 1689 CA THR A 110 -4.235 -5.087 9.832 1.00 0.00 C ATOM 1690 C THR A 110 -4.226 -3.606 9.463 1.00 0.00 C ATOM 1691 O THR A 110 -3.348 -2.866 9.923 1.00 0.00 O ATOM 1692 CB THR A 110 -5.532 -5.470 10.604 1.00 0.00 C ATOM 1693 OG1 THR A 110 -6.684 -5.308 9.770 1.00 0.00 O ATOM 1694 CG2 THR A 110 -5.690 -4.638 11.878 1.00 0.00 C ATOM 0 H THR A 110 -2.732 -4.646 11.210 1.00 0.00 H new ATOM 0 HA THR A 110 -4.222 -5.674 8.914 1.00 0.00 H new ATOM 0 HB THR A 110 -5.445 -6.518 10.889 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.489 -5.555 10.272 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.605 -4.931 12.393 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.835 -4.809 12.532 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.742 -3.581 11.618 1.00 0.00 H new ATOM 1702 N VAL A 111 -5.155 -3.171 8.612 1.00 0.00 N ATOM 1703 CA VAL A 111 -5.183 -1.770 8.213 1.00 0.00 C ATOM 1704 C VAL A 111 -6.481 -1.097 8.709 1.00 0.00 C ATOM 1705 O VAL A 111 -7.581 -1.657 8.593 1.00 0.00 O ATOM 1706 CB VAL A 111 -5.066 -1.592 6.684 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -3.886 -2.337 6.153 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -6.320 -1.970 5.964 1.00 0.00 C ATOM 0 H VAL A 111 -5.881 -3.755 8.196 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.317 -1.293 8.672 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.913 -0.529 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.823 -2.197 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.977 -1.960 6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.995 -3.398 6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.182 -1.825 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.552 -3.016 6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -7.142 -1.344 6.312 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.336 0.066 9.323 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.473 0.776 9.909 1.00 0.00 C ATOM 1720 C ILE A 112 -7.529 2.224 9.421 1.00 0.00 C ATOM 1721 O ILE A 112 -6.564 2.734 8.862 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.454 0.795 11.448 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.217 1.519 11.968 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -7.519 -0.624 12.009 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.239 1.717 13.459 1.00 0.00 C ATOM 0 H ILE A 112 -5.441 0.544 9.431 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.353 0.222 9.582 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.335 1.339 11.788 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.328 0.951 11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.138 2.490 11.479 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.504 -0.586 13.098 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.438 -1.105 11.675 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.661 -1.195 11.654 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.333 2.237 13.770 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -7.111 2.310 13.734 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.289 0.747 13.954 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.665 2.858 9.627 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.881 4.254 9.228 1.00 0.00 C ATOM 1739 C TRP A 113 -8.599 5.157 10.416 1.00 0.00 C ATOM 1740 O TRP A 113 -8.810 4.761 11.558 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.336 4.483 8.862 1.00 0.00 C ATOM 1742 CG TRP A 113 -10.816 3.752 7.674 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.540 2.625 7.707 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.652 4.083 6.281 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -11.838 2.214 6.453 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.314 3.089 5.553 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.017 5.112 5.582 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.368 3.085 4.160 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.065 5.110 4.197 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.737 4.104 3.503 1.00 0.00 C ATOM 0 H TRP A 113 -9.473 2.428 10.076 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.229 4.468 8.381 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.955 4.202 9.714 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.487 5.550 8.696 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.844 2.115 8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.373 1.378 6.219 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.497 5.896 6.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.888 2.307 3.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.575 5.899 3.647 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.759 4.131 2.424 1.00 0.00 H new ATOM 1761 N ASP A 114 -8.125 6.355 10.149 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.846 7.328 11.211 1.00 0.00 C ATOM 1763 C ASP A 114 -9.148 8.037 11.632 1.00 0.00 C ATOM 1764 O ASP A 114 -9.159 8.875 12.540 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.824 8.381 10.733 1.00 0.00 C ATOM 1766 CG ASP A 114 -7.248 9.094 9.446 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -8.280 8.713 8.853 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -6.544 10.040 9.033 1.00 0.00 O ATOM 0 H ASP A 114 -7.921 6.689 9.207 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.428 6.791 12.063 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -6.680 9.121 11.520 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.861 7.896 10.572 1.00 0.00 H new ATOM 1773 N GLN A 115 -10.233 7.683 10.946 1.00 0.00 N ATOM 1774 CA GLN A 115 -11.560 8.212 11.215 1.00 0.00 C ATOM 1775 C GLN A 115 -12.097 7.739 12.556 1.00 0.00 C ATOM 1776 O GLN A 115 -12.258 6.539 12.783 1.00 0.00 O ATOM 1777 CB GLN A 115 -12.464 7.701 10.140 1.00 0.00 C ATOM 1778 CG GLN A 115 -13.919 8.124 10.236 1.00 0.00 C ATOM 1779 CD GLN A 115 -14.108 9.580 10.006 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -13.416 10.169 9.207 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -15.048 10.178 10.704 1.00 0.00 N ATOM 0 H GLN A 115 -10.210 7.012 10.178 1.00 0.00 H new ATOM 0 HA GLN A 115 -11.512 9.301 11.239 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.073 8.031 9.177 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.422 6.612 10.145 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -14.505 7.566 9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -14.305 7.863 11.221 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.609 9.643 11.367 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.217 11.177 10.582 1.00 0.00 H new ATOM 1790 N GLU A 116 -12.355 8.685 13.442 1.00 0.00 N ATOM 1791 CA GLU A 116 -12.930 8.373 14.759 1.00 0.00 C ATOM 1792 C GLU A 116 -14.411 7.929 14.658 1.00 0.00 C ATOM 1793 O GLU A 116 -14.821 6.924 15.238 1.00 0.00 O ATOM 1794 CB GLU A 116 -12.850 9.604 15.656 1.00 0.00 C ATOM 1795 CG GLU A 116 -13.352 9.358 17.078 1.00 0.00 C ATOM 1796 CD GLU A 116 -12.424 8.451 17.876 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -11.327 8.133 17.385 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -12.796 8.051 18.997 1.00 0.00 O ATOM 0 H GLU A 116 -12.179 9.677 13.283 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.353 7.549 15.178 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.816 9.946 15.699 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.433 10.408 15.208 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -13.454 10.313 17.594 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -14.345 8.910 17.037 1.00 0.00 H new ATOM 1805 N THR A 117 -15.166 8.688 13.855 1.00 0.00 N ATOM 1806 CA THR A 117 -16.623 8.512 13.671 1.00 0.00 C ATOM 1807 C THR A 117 -17.169 9.808 13.065 1.00 0.00 C ATOM 1808 O THR A 117 -16.695 10.896 13.414 1.00 0.00 O ATOM 1809 CB THR A 117 -17.376 8.254 15.034 1.00 0.00 C ATOM 1810 OG1 THR A 117 -18.717 7.842 14.779 1.00 0.00 O ATOM 1811 CG2 THR A 117 -17.409 9.521 15.909 1.00 0.00 C ATOM 0 H THR A 117 -14.782 9.455 13.304 1.00 0.00 H new ATOM 0 HA THR A 117 -16.787 7.645 13.031 1.00 0.00 H new ATOM 0 HB THR A 117 -16.833 7.473 15.565 1.00 0.00 H new ATOM 0 HG1 THR A 117 -19.177 7.682 15.629 1.00 0.00 H new ATOM 0 HG21 THR A 117 -17.935 9.307 16.839 1.00 0.00 H new ATOM 0 HG22 THR A 117 -16.390 9.835 16.132 1.00 0.00 H new ATOM 0 HG23 THR A 117 -17.926 10.318 15.375 1.00 0.00 H new ATOM 1819 N PRO A 118 -18.095 9.750 12.077 1.00 0.00 N ATOM 1820 CA PRO A 118 -18.645 10.992 11.523 1.00 0.00 C ATOM 1821 C PRO A 118 -19.381 11.779 12.604 1.00 0.00 C ATOM 1822 O PRO A 118 -20.152 11.210 13.377 1.00 0.00 O ATOM 1823 CB PRO A 118 -19.657 10.484 10.479 1.00 0.00 C ATOM 1824 CG PRO A 118 -19.267 9.066 10.208 1.00 0.00 C ATOM 1825 CD PRO A 118 -18.671 8.547 11.481 1.00 0.00 C ATOM 0 HA PRO A 118 -17.880 11.653 11.115 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.677 10.546 10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.618 11.083 9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.133 8.473 9.913 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.549 9.009 9.390 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -19.424 8.096 12.127 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.914 7.785 11.293 1.00 0.00 H new ATOM 1833 N ILE A 119 -19.167 13.083 12.642 1.00 0.00 N ATOM 1834 CA ILE A 119 -19.888 13.946 13.583 1.00 0.00 C ATOM 1835 C ILE A 119 -20.461 15.142 12.835 1.00 0.00 C ATOM 1836 O ILE A 119 -19.699 15.907 12.299 1.00 0.00 O ATOM 1837 CB ILE A 119 -18.918 14.446 14.626 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -17.997 13.308 15.023 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -19.689 14.951 15.847 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -16.785 13.736 15.746 1.00 0.00 C ATOM 0 H ILE A 119 -18.505 13.572 12.039 1.00 0.00 H new ATOM 0 HA ILE A 119 -20.695 13.384 14.054 1.00 0.00 H new ATOM 0 HB ILE A 119 -18.328 15.268 14.222 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -18.551 12.608 15.648 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -17.699 12.767 14.125 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -18.986 15.311 16.598 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -20.350 15.765 15.549 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -20.281 14.137 16.265 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -16.181 12.863 15.993 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -16.206 14.412 15.117 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -17.071 14.250 16.663 1.00 0.00 H new ATOM 1852 N CYS A 120 -21.721 15.409 12.884 1.00 0.00 N ATOM 1853 CA CYS A 120 -22.192 16.512 12.036 1.00 0.00 C ATOM 1854 C CYS A 120 -22.697 17.710 12.863 1.00 0.00 C ATOM 1855 O CYS A 120 -23.786 17.659 13.413 1.00 0.00 O ATOM 1856 CB CYS A 120 -23.284 15.997 11.091 1.00 0.00 C ATOM 1857 SG CYS A 120 -22.680 14.619 9.966 1.00 0.00 S ATOM 0 H CYS A 120 -22.422 14.932 13.451 1.00 0.00 H new ATOM 0 HA CYS A 120 -21.347 16.875 11.451 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -24.127 15.636 11.680 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -23.651 16.823 10.482 1.00 0.00 H new ATOM 1862 N ASP A 121 -21.865 18.785 12.957 1.00 0.00 N ATOM 1863 CA ASP A 121 -22.244 19.999 13.705 1.00 0.00 C ATOM 1864 C ASP A 121 -23.423 20.725 13.080 1.00 0.00 C ATOM 1865 O ASP A 121 -24.354 21.117 13.775 1.00 0.00 O ATOM 1866 CB ASP A 121 -21.069 20.973 13.805 1.00 0.00 C ATOM 1867 CG ASP A 121 -21.312 22.100 14.810 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -21.583 21.798 16.001 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -21.196 23.279 14.427 1.00 0.00 O ATOM 0 H ASP A 121 -20.941 18.828 12.527 1.00 0.00 H new ATOM 0 HA ASP A 121 -22.534 19.659 14.699 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -20.172 20.424 14.093 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -20.877 21.405 12.823 1.00 0.00 H new ATOM 1874 N ARG A 122 -23.382 20.824 11.734 1.00 0.00 N ATOM 1875 CA ARG A 122 -24.343 21.614 10.943 1.00 0.00 C ATOM 1876 C ARG A 122 -24.870 22.857 11.698 1.00 0.00 C ATOM 1877 O ARG A 122 -26.044 22.847 12.143 1.00 0.00 O ATOM 1878 CB ARG A 122 -25.482 20.751 10.393 1.00 0.00 C ATOM 1879 CG ARG A 122 -26.456 21.535 9.498 1.00 0.00 C ATOM 1880 CD ARG A 122 -27.581 20.661 8.985 1.00 0.00 C ATOM 1881 NE ARG A 122 -27.122 19.650 8.030 1.00 0.00 N ATOM 1882 CZ ARG A 122 -27.915 18.703 7.541 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -29.059 18.436 8.140 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -27.548 17.990 6.476 1.00 0.00 N ATOM 0 H ARG A 122 -22.677 20.355 11.165 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.786 21.995 10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -25.060 19.924 9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -26.034 20.315 11.226 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -26.873 22.370 10.060 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -25.912 21.959 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -28.064 20.166 9.828 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -28.335 21.288 8.509 1.00 0.00 H new ATOM 0 HE ARG A 122 -26.149 19.674 7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -29.331 18.956 8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -29.672 17.710 7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -26.650 18.169 6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -28.166 17.266 6.110 1.00 0.00 H new