USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 LYS NZ :NH3+ 164:sc= 0.0772 (180deg=-0.00547) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.183 X(o=0.26,f=0) USER MOD Set 2.1: A 46 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.16) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 29 LYS NZ :NH3+ 154:sc= 0.053 (180deg=-0.615) USER MOD Set 3.2: A 74 CYS SG : rot -22:sc= -0.783 USER MOD Single : A 1 SER N :NH3+ 171:sc= 0.847 (180deg=0.698) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -128:sc= -6.78! (180deg=-11.2!) USER MOD Single : A 11 SER OG : rot -71:sc= 0.379 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -99:sc= 0.4 (180deg=-1.1) USER MOD Single : A 17 GLN : amide:sc= 0.423 K(o=0.42,f=-0.85) USER MOD Single : A 19 SER OG : rot 70:sc= 0.363 USER MOD Single : A 23 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00379 X(o=-0.0038,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.34 K(o=-1.3,f=-1.8!) USER MOD Single : A 39 SER OG : rot -72:sc= 1.22 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0607 (180deg=-0.337) USER MOD Single : A 48 ASN : amide:sc= -0.607 K(o=-0.61,f=-1.5!) USER MOD Single : A 58 THR OG1 : rot -26:sc= -1.2! USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= -1.48! (180deg=-1.62!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.738 USER MOD Single : A 63 THR OG1 : rot 169:sc= 0.0832 USER MOD Single : A 70 TYR OH : rot -7:sc= 1.21 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 73 SER OG : rot -56:sc= 1.27 USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= -0.013 (180deg=-0.11) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= -0.0192 (180deg=-0.209) USER MOD Single : B 201 LYS NZ :NH3+ 161:sc= -0.096 (180deg=-0.465) USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.0729 USER MOD Single : B 208 LYS NZ :NH3+ 171:sc= 1.31 (180deg=1.11) USER MOD Single : B 210 LYS NZ :NH3+ 171:sc= -0.0581 (180deg=-0.259) USER MOD Single : B 211 TYR OH : rot 99:sc= 0.234 USER MOD Single : B 213 ASN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.076 5.946 9.012 1.00 0.00 N ATOM 2 CA SER A 1 -18.972 4.991 8.777 1.00 0.00 C ATOM 3 C SER A 1 -19.071 4.388 7.378 1.00 0.00 C ATOM 4 O SER A 1 -18.339 3.459 7.037 1.00 0.00 O ATOM 5 CB SER A 1 -19.027 3.880 9.836 1.00 0.00 C ATOM 6 OG SER A 1 -18.932 4.416 11.147 1.00 0.00 O ATOM 0 H1 SER A 1 -20.083 6.230 10.013 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.941 6.787 8.415 1.00 0.00 H new ATOM 0 H3 SER A 1 -20.982 5.494 8.774 1.00 0.00 H new ATOM 0 HA SER A 1 -18.022 5.521 8.853 1.00 0.00 H new ATOM 0 HB2 SER A 1 -19.958 3.323 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 1 -18.214 3.174 9.669 1.00 0.00 H new ATOM 0 HG SER A 1 -18.971 3.688 11.802 1.00 0.00 H new ATOM 14 N GLU A 2 -19.978 4.923 6.569 1.00 0.00 N ATOM 15 CA GLU A 2 -20.249 4.378 5.244 1.00 0.00 C ATOM 16 C GLU A 2 -19.272 4.914 4.196 1.00 0.00 C ATOM 17 O GLU A 2 -19.155 4.348 3.109 1.00 0.00 O ATOM 18 CB GLU A 2 -21.684 4.707 4.810 1.00 0.00 C ATOM 19 CG GLU A 2 -22.766 4.177 5.744 1.00 0.00 C ATOM 20 CD GLU A 2 -22.858 4.953 7.042 1.00 0.00 C ATOM 21 OE1 GLU A 2 -23.442 6.057 7.041 1.00 0.00 O ATOM 22 OE2 GLU A 2 -22.334 4.470 8.070 1.00 0.00 O ATOM 0 H GLU A 2 -20.541 5.739 6.809 1.00 0.00 H new ATOM 0 HA GLU A 2 -20.122 3.298 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -21.787 5.789 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -21.851 4.299 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -23.729 4.216 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -22.565 3.129 5.967 1.00 0.00 H new ATOM 29 N GLU A 3 -18.567 5.991 4.524 1.00 0.00 N ATOM 30 CA GLU A 3 -17.692 6.660 3.564 1.00 0.00 C ATOM 31 C GLU A 3 -16.581 5.728 3.091 1.00 0.00 C ATOM 32 O GLU A 3 -16.223 5.719 1.912 1.00 0.00 O ATOM 33 CB GLU A 3 -17.075 7.920 4.207 1.00 0.00 C ATOM 34 CG GLU A 3 -16.135 8.711 3.301 1.00 0.00 C ATOM 35 CD GLU A 3 -15.774 10.050 3.900 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.338 11.077 3.465 1.00 0.00 O ATOM 37 OE2 GLU A 3 -14.930 10.085 4.817 1.00 0.00 O ATOM 0 H GLU A 3 -18.583 6.421 5.449 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.291 6.946 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.882 8.577 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.528 7.623 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.227 8.134 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.607 8.862 2.330 1.00 0.00 H new ATOM 44 N GLU A 4 -16.060 4.932 4.013 1.00 0.00 N ATOM 45 CA GLU A 4 -14.912 4.077 3.739 1.00 0.00 C ATOM 46 C GLU A 4 -15.256 2.915 2.809 1.00 0.00 C ATOM 47 O GLU A 4 -14.487 2.598 1.903 1.00 0.00 O ATOM 48 CB GLU A 4 -14.326 3.561 5.055 1.00 0.00 C ATOM 49 CG GLU A 4 -15.331 2.822 5.928 1.00 0.00 C ATOM 50 CD GLU A 4 -14.853 2.668 7.354 1.00 0.00 C ATOM 51 OE1 GLU A 4 -15.021 3.619 8.146 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.299 1.606 7.695 1.00 0.00 O ATOM 0 H GLU A 4 -16.417 4.860 4.966 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.168 4.681 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.492 2.895 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.921 4.403 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.279 3.360 5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.522 1.836 5.503 1.00 0.00 H new ATOM 59 N ASP A 5 -16.410 2.290 3.011 1.00 0.00 N ATOM 60 CA ASP A 5 -16.777 1.123 2.213 1.00 0.00 C ATOM 61 C ASP A 5 -17.386 1.549 0.891 1.00 0.00 C ATOM 62 O ASP A 5 -17.363 0.800 -0.085 1.00 0.00 O ATOM 63 CB ASP A 5 -17.757 0.215 2.964 1.00 0.00 C ATOM 64 CG ASP A 5 -19.159 0.784 3.061 1.00 0.00 C ATOM 65 OD1 ASP A 5 -19.467 1.436 4.079 1.00 0.00 O ATOM 66 OD2 ASP A 5 -19.965 0.563 2.130 1.00 0.00 O ATOM 0 H ASP A 5 -17.100 2.565 3.710 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.864 0.559 2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.800 -0.752 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.376 0.036 3.969 1.00 0.00 H new ATOM 71 N LYS A 6 -17.919 2.757 0.858 1.00 0.00 N ATOM 72 CA LYS A 6 -18.595 3.248 -0.329 1.00 0.00 C ATOM 73 C LYS A 6 -17.654 4.113 -1.157 1.00 0.00 C ATOM 74 O LYS A 6 -18.021 4.613 -2.221 1.00 0.00 O ATOM 75 CB LYS A 6 -19.842 4.036 0.071 1.00 0.00 C ATOM 76 CG LYS A 6 -20.857 4.188 -1.045 1.00 0.00 C ATOM 77 CD LYS A 6 -22.167 4.738 -0.520 1.00 0.00 C ATOM 78 CE LYS A 6 -23.256 4.674 -1.576 1.00 0.00 C ATOM 79 NZ LYS A 6 -24.572 5.098 -1.041 1.00 0.00 N ATOM 0 H LYS A 6 -17.897 3.415 1.637 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.900 2.398 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.318 3.539 0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -19.540 5.026 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.461 4.853 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.029 3.221 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.476 4.171 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.028 5.771 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.984 5.312 -2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.331 3.656 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -25.288 5.040 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -24.845 4.474 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -24.508 6.078 -0.699 1.00 0.00 H new ATOM 93 N CYS A 7 -16.439 4.284 -0.651 1.00 0.00 N ATOM 94 CA CYS A 7 -15.409 5.054 -1.340 1.00 0.00 C ATOM 95 C CYS A 7 -15.169 4.478 -2.734 1.00 0.00 C ATOM 96 O CYS A 7 -15.151 3.259 -2.924 1.00 0.00 O ATOM 97 CB CYS A 7 -14.103 5.042 -0.527 1.00 0.00 C ATOM 98 SG CYS A 7 -12.894 6.279 -1.055 1.00 0.00 S ATOM 0 H CYS A 7 -16.140 3.896 0.244 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.748 6.085 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.340 5.207 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.651 4.053 -0.600 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.831 6.192 -0.311 1.00 0.00 H new ATOM 104 N LYS A 8 -15.007 5.366 -3.704 1.00 0.00 N ATOM 105 CA LYS A 8 -14.873 4.971 -5.099 1.00 0.00 C ATOM 106 C LYS A 8 -13.598 4.157 -5.326 1.00 0.00 C ATOM 107 O LYS A 8 -12.582 4.364 -4.661 1.00 0.00 O ATOM 108 CB LYS A 8 -14.890 6.200 -6.005 1.00 0.00 C ATOM 109 CG LYS A 8 -13.674 7.089 -5.880 1.00 0.00 C ATOM 110 CD LYS A 8 -13.602 8.038 -7.056 1.00 0.00 C ATOM 111 CE LYS A 8 -12.292 8.806 -7.081 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.208 9.716 -8.251 1.00 0.00 N ATOM 0 H LYS A 8 -14.965 6.373 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.723 4.338 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.979 5.871 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.779 6.789 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.721 7.654 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.771 6.480 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.712 7.476 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.434 8.740 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.192 9.385 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.459 8.103 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.300 10.222 -8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.278 9.161 -9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.988 10.403 -8.213 1.00 0.00 H new ATOM 126 N PRO A 9 -13.644 3.217 -6.285 1.00 0.00 N ATOM 127 CA PRO A 9 -12.532 2.300 -6.560 1.00 0.00 C ATOM 128 C PRO A 9 -11.281 3.020 -7.045 1.00 0.00 C ATOM 129 O PRO A 9 -11.356 3.978 -7.821 1.00 0.00 O ATOM 130 CB PRO A 9 -13.081 1.376 -7.653 1.00 0.00 C ATOM 131 CG PRO A 9 -14.210 2.126 -8.272 1.00 0.00 C ATOM 132 CD PRO A 9 -14.789 2.981 -7.183 1.00 0.00 C ATOM 0 HA PRO A 9 -12.218 1.772 -5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.314 1.141 -8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.421 0.429 -7.233 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.862 2.738 -9.104 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.960 1.443 -8.671 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.190 3.915 -7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.606 2.476 -6.668 1.00 0.00 H new ATOM 140 N MET A 10 -10.138 2.558 -6.558 1.00 0.00 N ATOM 141 CA MET A 10 -8.851 3.116 -6.933 1.00 0.00 C ATOM 142 C MET A 10 -8.509 2.706 -8.366 1.00 0.00 C ATOM 143 O MET A 10 -8.433 1.515 -8.671 1.00 0.00 O ATOM 144 CB MET A 10 -7.769 2.640 -5.960 1.00 0.00 C ATOM 145 CG MET A 10 -6.481 3.441 -6.052 1.00 0.00 C ATOM 146 SD MET A 10 -6.608 5.071 -5.304 1.00 0.00 S ATOM 147 CE MET A 10 -6.010 4.787 -3.642 1.00 0.00 C ATOM 0 H MET A 10 -10.079 1.787 -5.893 1.00 0.00 H new ATOM 0 HA MET A 10 -8.901 4.204 -6.884 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.154 2.700 -4.942 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.550 1.590 -6.156 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.680 2.886 -5.565 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.202 3.550 -7.100 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.735 5.170 -2.924 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.871 3.718 -3.483 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.058 5.301 -3.505 1.00 0.00 H new ATOM 157 N SER A 11 -8.329 3.692 -9.240 1.00 0.00 N ATOM 158 CA SER A 11 -8.098 3.430 -10.663 1.00 0.00 C ATOM 159 C SER A 11 -6.675 2.917 -10.910 1.00 0.00 C ATOM 160 O SER A 11 -5.865 2.896 -9.993 1.00 0.00 O ATOM 161 CB SER A 11 -8.363 4.703 -11.477 1.00 0.00 C ATOM 162 OG SER A 11 -7.554 5.776 -11.030 1.00 0.00 O ATOM 0 H SER A 11 -8.338 4.681 -8.991 1.00 0.00 H new ATOM 0 HA SER A 11 -8.789 2.651 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.166 4.511 -12.532 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.414 4.978 -11.394 1.00 0.00 H new ATOM 0 HG SER A 11 -7.864 6.075 -10.150 1.00 0.00 H new ATOM 168 N TYR A 12 -6.372 2.517 -12.149 1.00 0.00 N ATOM 169 CA TYR A 12 -5.080 1.894 -12.466 1.00 0.00 C ATOM 170 C TYR A 12 -3.894 2.803 -12.138 1.00 0.00 C ATOM 171 O TYR A 12 -3.014 2.422 -11.363 1.00 0.00 O ATOM 172 CB TYR A 12 -5.012 1.471 -13.942 1.00 0.00 C ATOM 173 CG TYR A 12 -3.591 1.302 -14.454 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.665 0.524 -13.766 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.166 1.953 -15.605 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.366 0.400 -14.204 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.865 1.827 -16.057 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.969 1.052 -15.351 1.00 0.00 C ATOM 179 OH TYR A 12 0.332 0.941 -15.789 1.00 0.00 O ATOM 0 H TYR A 12 -7.000 2.612 -12.947 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.008 1.009 -11.834 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.551 0.532 -14.069 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.524 2.217 -14.550 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.972 0.006 -12.869 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.863 2.567 -16.156 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.662 -0.205 -13.652 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.552 2.333 -16.958 1.00 0.00 H new ATOM 0 HH TYR A 12 0.446 1.461 -16.612 1.00 0.00 H new ATOM 189 N GLU A 13 -3.867 3.997 -12.716 1.00 0.00 N ATOM 190 CA GLU A 13 -2.713 4.881 -12.572 1.00 0.00 C ATOM 191 C GLU A 13 -2.606 5.339 -11.135 1.00 0.00 C ATOM 192 O GLU A 13 -1.550 5.751 -10.658 1.00 0.00 O ATOM 193 CB GLU A 13 -2.846 6.087 -13.501 1.00 0.00 C ATOM 194 CG GLU A 13 -2.828 5.723 -14.974 1.00 0.00 C ATOM 195 CD GLU A 13 -3.064 6.925 -15.864 1.00 0.00 C ATOM 196 OE1 GLU A 13 -4.204 7.100 -16.347 1.00 0.00 O ATOM 197 OE2 GLU A 13 -2.112 7.706 -16.083 1.00 0.00 O ATOM 0 H GLU A 13 -4.624 4.375 -13.285 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.810 4.335 -12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.776 6.608 -13.275 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.033 6.784 -13.297 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.868 5.272 -15.223 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.593 4.972 -15.170 1.00 0.00 H new ATOM 204 N GLU A 14 -3.720 5.210 -10.453 1.00 0.00 N ATOM 205 CA GLU A 14 -3.868 5.645 -9.103 1.00 0.00 C ATOM 206 C GLU A 14 -3.392 4.534 -8.169 1.00 0.00 C ATOM 207 O GLU A 14 -2.708 4.787 -7.177 1.00 0.00 O ATOM 208 CB GLU A 14 -5.344 5.957 -8.942 1.00 0.00 C ATOM 209 CG GLU A 14 -5.700 6.853 -7.784 1.00 0.00 C ATOM 210 CD GLU A 14 -7.176 7.208 -7.777 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.555 8.184 -7.094 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.966 6.520 -8.466 1.00 0.00 O ATOM 0 H GLU A 14 -4.564 4.788 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.274 6.526 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.700 6.423 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.885 5.017 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.441 6.357 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.107 7.766 -7.836 1.00 0.00 H new ATOM 219 N LYS A 15 -3.767 3.302 -8.506 1.00 0.00 N ATOM 220 CA LYS A 15 -3.210 2.111 -7.902 1.00 0.00 C ATOM 221 C LYS A 15 -1.697 2.062 -8.040 1.00 0.00 C ATOM 222 O LYS A 15 -0.987 1.883 -7.051 1.00 0.00 O ATOM 223 CB LYS A 15 -3.800 0.865 -8.553 1.00 0.00 C ATOM 224 CG LYS A 15 -5.193 0.518 -8.066 1.00 0.00 C ATOM 225 CD LYS A 15 -5.554 -0.909 -8.432 1.00 0.00 C ATOM 226 CE LYS A 15 -6.743 -1.427 -7.643 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.311 -2.654 -8.264 1.00 0.00 N ATOM 0 H LYS A 15 -4.475 3.109 -9.215 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.463 2.141 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.829 1.010 -9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.138 0.020 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.247 0.645 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.917 1.205 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.778 -0.962 -9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.694 -1.555 -8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.437 -1.643 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.511 -0.655 -7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.143 -2.401 -8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.595 -3.098 -8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.593 -3.322 -7.518 1.00 0.00 H new ATOM 241 N ARG A 16 -1.209 2.198 -9.271 1.00 0.00 N ATOM 242 CA ARG A 16 0.225 2.166 -9.519 1.00 0.00 C ATOM 243 C ARG A 16 0.931 3.235 -8.716 1.00 0.00 C ATOM 244 O ARG A 16 1.971 2.966 -8.114 1.00 0.00 O ATOM 245 CB ARG A 16 0.557 2.325 -11.012 1.00 0.00 C ATOM 246 CG ARG A 16 1.903 3.010 -11.265 1.00 0.00 C ATOM 247 CD ARG A 16 2.431 2.776 -12.668 1.00 0.00 C ATOM 248 NE ARG A 16 3.562 3.658 -12.961 1.00 0.00 N ATOM 249 CZ ARG A 16 4.801 3.238 -13.222 1.00 0.00 C ATOM 250 NH1 ARG A 16 5.077 1.941 -13.276 1.00 0.00 N ATOM 251 NH2 ARG A 16 5.767 4.126 -13.432 1.00 0.00 N ATOM 0 H ARG A 16 -1.782 2.330 -10.104 1.00 0.00 H new ATOM 0 HA ARG A 16 0.581 1.186 -9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.564 1.342 -11.482 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.233 2.903 -11.493 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.797 4.082 -11.096 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.632 2.644 -10.542 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.740 1.736 -12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.635 2.948 -13.393 1.00 0.00 H new ATOM 0 HE ARG A 16 3.391 4.664 -12.966 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.339 1.255 -13.117 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.027 1.630 -13.476 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.560 5.124 -13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.716 3.810 -13.632 1.00 0.00 H new ATOM 265 N GLN A 17 0.372 4.439 -8.689 1.00 0.00 N ATOM 266 CA GLN A 17 1.000 5.492 -7.927 1.00 0.00 C ATOM 267 C GLN A 17 0.974 5.131 -6.452 1.00 0.00 C ATOM 268 O GLN A 17 1.960 5.313 -5.760 1.00 0.00 O ATOM 269 CB GLN A 17 0.369 6.870 -8.197 1.00 0.00 C ATOM 270 CG GLN A 17 1.152 7.997 -7.550 1.00 0.00 C ATOM 271 CD GLN A 17 2.577 8.061 -8.060 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.843 7.772 -9.228 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.507 8.396 -7.183 1.00 0.00 N ATOM 0 H GLN A 17 -0.488 4.699 -9.172 1.00 0.00 H new ATOM 0 HA GLN A 17 2.038 5.579 -8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.315 7.038 -9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.654 6.879 -7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.653 8.946 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.159 7.860 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.245 8.628 -6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.487 8.422 -7.464 1.00 0.00 H new ATOM 282 N LEU A 18 -0.127 4.537 -6.011 1.00 0.00 N ATOM 283 CA LEU A 18 -0.287 4.100 -4.635 1.00 0.00 C ATOM 284 C LEU A 18 0.792 3.118 -4.248 1.00 0.00 C ATOM 285 O LEU A 18 1.438 3.272 -3.218 1.00 0.00 O ATOM 286 CB LEU A 18 -1.652 3.452 -4.426 1.00 0.00 C ATOM 287 CG LEU A 18 -2.604 4.198 -3.491 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.083 3.311 -2.365 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.965 5.442 -2.916 1.00 0.00 C ATOM 0 H LEU A 18 -0.936 4.345 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.207 4.984 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.135 3.345 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.500 2.447 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.461 4.495 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.758 3.874 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.610 2.451 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.228 2.968 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.674 5.944 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.076 5.166 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.684 6.115 -3.726 1.00 0.00 H new ATOM 301 N SER A 19 0.985 2.112 -5.086 1.00 0.00 N ATOM 302 CA SER A 19 1.999 1.107 -4.839 1.00 0.00 C ATOM 303 C SER A 19 3.374 1.768 -4.753 1.00 0.00 C ATOM 304 O SER A 19 4.277 1.282 -4.073 1.00 0.00 O ATOM 305 CB SER A 19 1.978 0.065 -5.949 1.00 0.00 C ATOM 306 OG SER A 19 0.651 -0.358 -6.220 1.00 0.00 O ATOM 0 H SER A 19 0.451 1.972 -5.943 1.00 0.00 H new ATOM 0 HA SER A 19 1.790 0.610 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.423 0.481 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.586 -0.793 -5.660 1.00 0.00 H new ATOM 0 HG SER A 19 0.156 0.372 -6.648 1.00 0.00 H new ATOM 312 N LEU A 20 3.505 2.890 -5.450 1.00 0.00 N ATOM 313 CA LEU A 20 4.729 3.680 -5.430 1.00 0.00 C ATOM 314 C LEU A 20 4.820 4.555 -4.167 1.00 0.00 C ATOM 315 O LEU A 20 5.838 4.538 -3.482 1.00 0.00 O ATOM 316 CB LEU A 20 4.816 4.546 -6.690 1.00 0.00 C ATOM 317 CG LEU A 20 4.961 3.774 -8.003 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.855 4.709 -9.199 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.279 3.028 -8.028 1.00 0.00 C ATOM 0 H LEU A 20 2.770 3.276 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 20 5.573 2.990 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.921 5.165 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.665 5.222 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 20 4.147 3.052 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.961 4.135 -10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.884 5.203 -9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.644 5.459 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.371 2.482 -8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.101 3.738 -7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.315 2.325 -7.195 1.00 0.00 H new ATOM 331 N ASP A 21 3.769 5.325 -3.860 1.00 0.00 N ATOM 332 CA ASP A 21 3.733 6.125 -2.648 1.00 0.00 C ATOM 333 C ASP A 21 3.989 5.247 -1.431 1.00 0.00 C ATOM 334 O ASP A 21 4.736 5.608 -0.516 1.00 0.00 O ATOM 335 CB ASP A 21 2.402 6.840 -2.498 1.00 0.00 C ATOM 336 CG ASP A 21 1.777 7.308 -3.795 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.454 8.048 -4.548 1.00 0.00 O ATOM 338 OD2 ASP A 21 0.593 7.011 -4.031 1.00 0.00 O ATOM 0 H ASP A 21 2.935 5.405 -4.441 1.00 0.00 H new ATOM 0 HA ASP A 21 4.517 6.878 -2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.702 6.172 -1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.542 7.703 -1.847 1.00 0.00 H new ATOM 343 N ILE A 22 3.392 4.069 -1.459 1.00 0.00 N ATOM 344 CA ILE A 22 3.552 3.091 -0.396 1.00 0.00 C ATOM 345 C ILE A 22 4.988 2.568 -0.336 1.00 0.00 C ATOM 346 O ILE A 22 5.539 2.379 0.745 1.00 0.00 O ATOM 347 CB ILE A 22 2.555 1.921 -0.560 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.121 2.398 -0.311 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.890 0.792 0.394 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.071 1.439 -0.822 1.00 0.00 C ATOM 0 H ILE A 22 2.783 3.763 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 22 3.335 3.594 0.546 1.00 0.00 H new ATOM 0 HB ILE A 22 2.635 1.553 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.976 2.547 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.980 3.367 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.176 -0.021 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.896 0.428 0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.839 1.156 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.921 1.840 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.190 1.309 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.186 0.476 -0.325 1.00 0.00 H new ATOM 362 N ASN A 23 5.605 2.366 -1.491 1.00 0.00 N ATOM 363 CA ASN A 23 6.971 1.848 -1.529 1.00 0.00 C ATOM 364 C ASN A 23 7.990 2.942 -1.201 1.00 0.00 C ATOM 365 O ASN A 23 9.156 2.648 -0.930 1.00 0.00 O ATOM 366 CB ASN A 23 7.279 1.191 -2.889 1.00 0.00 C ATOM 367 CG ASN A 23 8.034 2.081 -3.871 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.440 2.771 -4.691 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.354 2.049 -3.811 1.00 0.00 N ATOM 0 H ASN A 23 5.191 2.549 -2.405 1.00 0.00 H new ATOM 0 HA ASN A 23 7.054 1.079 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.863 0.287 -2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.340 0.881 -3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.908 2.609 -4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.819 1.464 -3.117 1.00 0.00 H new ATOM 376 N LYS A 24 7.555 4.203 -1.231 1.00 0.00 N ATOM 377 CA LYS A 24 8.411 5.316 -0.826 1.00 0.00 C ATOM 378 C LYS A 24 8.652 5.295 0.675 1.00 0.00 C ATOM 379 O LYS A 24 9.666 5.807 1.157 1.00 0.00 O ATOM 380 CB LYS A 24 7.786 6.653 -1.196 1.00 0.00 C ATOM 381 CG LYS A 24 7.695 6.897 -2.686 1.00 0.00 C ATOM 382 CD LYS A 24 6.945 8.183 -2.974 1.00 0.00 C ATOM 383 CE LYS A 24 6.472 8.256 -4.410 1.00 0.00 C ATOM 384 NZ LYS A 24 7.604 8.321 -5.374 1.00 0.00 N ATOM 0 H LYS A 24 6.619 4.477 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 24 9.358 5.199 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.785 6.706 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.370 7.454 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.697 6.951 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.189 6.060 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.087 8.260 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.591 9.035 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.857 7.384 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.838 9.134 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.232 8.370 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.177 9.167 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.196 7.472 -5.273 1.00 0.00 H new ATOM 398 N LEU A 25 7.698 4.740 1.410 1.00 0.00 N ATOM 399 CA LEU A 25 7.805 4.643 2.851 1.00 0.00 C ATOM 400 C LEU A 25 9.023 3.825 3.257 1.00 0.00 C ATOM 401 O LEU A 25 9.418 2.885 2.564 1.00 0.00 O ATOM 402 CB LEU A 25 6.565 3.976 3.434 1.00 0.00 C ATOM 403 CG LEU A 25 5.223 4.503 2.950 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.123 3.611 3.483 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.000 5.931 3.419 1.00 0.00 C ATOM 0 H LEU A 25 6.838 4.349 1.025 1.00 0.00 H new ATOM 0 HA LEU A 25 7.903 5.658 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.614 2.910 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.601 4.077 4.519 1.00 0.00 H new ATOM 0 HG LEU A 25 5.213 4.499 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.157 3.981 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.271 2.594 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.148 3.614 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.034 6.285 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.016 5.963 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.790 6.571 3.025 1.00 0.00 H new ATOM 417 N PRO A 26 9.652 4.202 4.373 1.00 0.00 N ATOM 418 CA PRO A 26 10.659 3.364 5.015 1.00 0.00 C ATOM 419 C PRO A 26 10.068 2.012 5.417 1.00 0.00 C ATOM 420 O PRO A 26 8.859 1.920 5.643 1.00 0.00 O ATOM 421 CB PRO A 26 11.075 4.147 6.266 1.00 0.00 C ATOM 422 CG PRO A 26 10.516 5.528 6.115 1.00 0.00 C ATOM 423 CD PRO A 26 9.449 5.489 5.050 1.00 0.00 C ATOM 0 HA PRO A 26 11.497 3.155 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.690 3.670 7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.160 4.177 6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.098 5.874 7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.304 6.229 5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.452 5.556 5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.551 6.323 4.356 1.00 0.00 H new ATOM 431 N GLY A 27 10.907 0.981 5.505 1.00 0.00 N ATOM 432 CA GLY A 27 10.429 -0.379 5.755 1.00 0.00 C ATOM 433 C GLY A 27 9.402 -0.475 6.875 1.00 0.00 C ATOM 434 O GLY A 27 8.377 -1.148 6.730 1.00 0.00 O ATOM 0 H GLY A 27 11.919 1.061 5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.991 -0.774 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.280 -1.014 6.000 1.00 0.00 H new ATOM 438 N GLU A 28 9.675 0.209 7.981 1.00 0.00 N ATOM 439 CA GLU A 28 8.780 0.238 9.137 1.00 0.00 C ATOM 440 C GLU A 28 7.371 0.685 8.740 1.00 0.00 C ATOM 441 O GLU A 28 6.369 0.126 9.195 1.00 0.00 O ATOM 442 CB GLU A 28 9.346 1.199 10.190 1.00 0.00 C ATOM 443 CG GLU A 28 8.510 1.302 11.453 1.00 0.00 C ATOM 444 CD GLU A 28 8.503 0.021 12.256 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.499 -0.253 12.955 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.498 -0.714 12.206 1.00 0.00 O ATOM 0 H GLU A 28 10.524 0.761 8.103 1.00 0.00 H new ATOM 0 HA GLU A 28 8.712 -0.771 9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.351 0.874 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.439 2.191 9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.894 2.112 12.073 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.486 1.564 11.185 1.00 0.00 H new ATOM 453 N LYS A 29 7.298 1.674 7.865 1.00 0.00 N ATOM 454 CA LYS A 29 6.027 2.275 7.501 1.00 0.00 C ATOM 455 C LYS A 29 5.224 1.371 6.566 1.00 0.00 C ATOM 456 O LYS A 29 3.997 1.412 6.559 1.00 0.00 O ATOM 457 CB LYS A 29 6.243 3.648 6.865 1.00 0.00 C ATOM 458 CG LYS A 29 6.550 4.792 7.850 1.00 0.00 C ATOM 459 CD LYS A 29 5.942 4.620 9.237 1.00 0.00 C ATOM 460 CE LYS A 29 6.364 5.767 10.139 1.00 0.00 C ATOM 461 NZ LYS A 29 6.414 7.067 9.411 1.00 0.00 N ATOM 0 H LYS A 29 8.107 2.078 7.393 1.00 0.00 H new ATOM 0 HA LYS A 29 5.449 2.401 8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.065 3.574 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.351 3.911 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.631 4.885 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.188 5.727 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.855 4.586 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.263 3.672 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.667 5.846 10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.345 5.552 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.266 7.847 10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.342 7.174 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.668 7.088 8.687 1.00 0.00 H new ATOM 475 N LEU A 30 5.896 0.523 5.800 1.00 0.00 N ATOM 476 CA LEU A 30 5.177 -0.449 4.983 1.00 0.00 C ATOM 477 C LEU A 30 4.595 -1.545 5.871 1.00 0.00 C ATOM 478 O LEU A 30 3.752 -2.327 5.439 1.00 0.00 O ATOM 479 CB LEU A 30 6.056 -1.058 3.891 1.00 0.00 C ATOM 480 CG LEU A 30 6.465 -0.121 2.760 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.939 0.200 2.831 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.138 -0.741 1.414 1.00 0.00 C ATOM 0 H LEU A 30 6.913 0.486 5.726 1.00 0.00 H new ATOM 0 HA LEU A 30 4.369 0.082 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.961 -1.449 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.527 -1.907 3.459 1.00 0.00 H new ATOM 0 HG LEU A 30 5.902 0.806 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.205 0.870 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.161 0.683 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.516 -0.721 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.436 -0.059 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.677 -1.683 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.066 -0.927 1.350 1.00 0.00 H new ATOM 494 N GLY A 31 5.033 -1.576 7.126 1.00 0.00 N ATOM 495 CA GLY A 31 4.456 -2.489 8.096 1.00 0.00 C ATOM 496 C GLY A 31 3.015 -2.142 8.404 1.00 0.00 C ATOM 497 O GLY A 31 2.248 -2.973 8.888 1.00 0.00 O ATOM 0 H GLY A 31 5.779 -0.983 7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.511 -3.508 7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.041 -2.461 9.015 1.00 0.00 H new ATOM 501 N ARG A 32 2.651 -0.907 8.112 1.00 0.00 N ATOM 502 CA ARG A 32 1.280 -0.443 8.282 1.00 0.00 C ATOM 503 C ARG A 32 0.388 -0.901 7.128 1.00 0.00 C ATOM 504 O ARG A 32 -0.665 -1.484 7.358 1.00 0.00 O ATOM 505 CB ARG A 32 1.252 1.077 8.391 1.00 0.00 C ATOM 506 CG ARG A 32 -0.123 1.689 8.147 1.00 0.00 C ATOM 507 CD ARG A 32 -0.789 2.119 9.437 1.00 0.00 C ATOM 508 NE ARG A 32 0.033 3.054 10.202 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.203 3.393 11.468 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.241 2.879 12.118 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.604 4.247 12.084 1.00 0.00 N ATOM 0 H ARG A 32 3.290 -0.198 7.752 1.00 0.00 H new ATOM 0 HA ARG A 32 0.890 -0.879 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.597 1.367 9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.958 1.496 7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.025 2.550 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.757 0.965 7.636 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.748 2.584 9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.997 1.239 10.046 1.00 0.00 H new ATOM 0 HE ARG A 32 0.838 3.473 9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.862 2.221 11.648 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.417 3.142 13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.403 4.642 11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.426 4.508 13.054 1.00 0.00 H new ATOM 525 N VAL A 33 0.803 -0.629 5.892 1.00 0.00 N ATOM 526 CA VAL A 33 0.022 -1.026 4.716 1.00 0.00 C ATOM 527 C VAL A 33 -0.165 -2.531 4.658 1.00 0.00 C ATOM 528 O VAL A 33 -1.257 -2.996 4.347 1.00 0.00 O ATOM 529 CB VAL A 33 0.647 -0.533 3.396 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.290 0.922 3.154 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.150 -0.707 3.411 1.00 0.00 C ATOM 0 H VAL A 33 1.671 -0.138 5.677 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.951 -0.547 4.827 1.00 0.00 H new ATOM 0 HB VAL A 33 0.242 -1.136 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.738 1.256 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.793 1.026 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.668 1.531 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.567 -0.352 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.575 -0.133 4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.393 -1.762 3.540 1.00 0.00 H new ATOM 541 N VAL A 34 0.880 -3.297 4.972 1.00 0.00 N ATOM 542 CA VAL A 34 0.738 -4.739 5.024 1.00 0.00 C ATOM 543 C VAL A 34 -0.285 -5.113 6.090 1.00 0.00 C ATOM 544 O VAL A 34 -1.119 -5.979 5.873 1.00 0.00 O ATOM 545 CB VAL A 34 2.077 -5.473 5.281 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.120 -5.077 4.252 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.595 -5.217 6.683 1.00 0.00 C ATOM 0 H VAL A 34 1.813 -2.946 5.189 1.00 0.00 H new ATOM 0 HA VAL A 34 0.393 -5.065 4.043 1.00 0.00 H new ATOM 0 HB VAL A 34 1.883 -6.541 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.051 -5.606 4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.765 -5.337 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.295 -4.002 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.536 -5.748 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.757 -4.148 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.865 -5.570 7.411 1.00 0.00 H new ATOM 557 N HIS A 35 -0.252 -4.407 7.218 1.00 0.00 N ATOM 558 CA HIS A 35 -1.214 -4.632 8.288 1.00 0.00 C ATOM 559 C HIS A 35 -2.621 -4.281 7.815 1.00 0.00 C ATOM 560 O HIS A 35 -3.560 -5.037 8.049 1.00 0.00 O ATOM 561 CB HIS A 35 -0.837 -3.822 9.537 1.00 0.00 C ATOM 562 CG HIS A 35 -1.879 -3.845 10.616 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.971 -4.846 11.559 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.887 -2.981 10.893 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.987 -4.600 12.363 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.557 -3.476 11.980 1.00 0.00 N ATOM 0 H HIS A 35 0.431 -3.675 7.412 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.195 -5.688 8.556 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.098 -4.210 9.941 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.653 -2.788 9.245 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.118 -2.073 10.357 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.299 -5.215 13.194 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.368 -3.043 12.422 1.00 0.00 H new ATOM 575 N ILE A 36 -2.763 -3.136 7.151 1.00 0.00 N ATOM 576 CA ILE A 36 -4.049 -2.742 6.593 1.00 0.00 C ATOM 577 C ILE A 36 -4.523 -3.783 5.592 1.00 0.00 C ATOM 578 O ILE A 36 -5.534 -4.437 5.811 1.00 0.00 O ATOM 579 CB ILE A 36 -4.017 -1.361 5.895 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.702 -0.245 6.884 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.369 -1.105 5.250 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.403 1.079 6.217 1.00 0.00 C ATOM 0 H ILE A 36 -2.007 -2.470 6.988 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.736 -2.669 7.436 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.231 -1.370 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.547 -0.120 7.561 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.847 -0.539 7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.358 -0.134 4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.575 -1.884 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.145 -1.113 6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.187 1.829 6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.540 0.969 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.266 1.394 5.631 1.00 0.00 H new ATOM 594 N ILE A 37 -3.777 -3.947 4.509 1.00 0.00 N ATOM 595 CA ILE A 37 -4.127 -4.912 3.477 1.00 0.00 C ATOM 596 C ILE A 37 -4.436 -6.296 4.062 1.00 0.00 C ATOM 597 O ILE A 37 -5.504 -6.824 3.828 1.00 0.00 O ATOM 598 CB ILE A 37 -3.024 -5.040 2.421 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.064 -3.850 1.475 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.186 -6.333 1.653 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.743 -3.150 1.338 1.00 0.00 C ATOM 0 H ILE A 37 -2.923 -3.422 4.322 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.029 -4.528 3.000 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.056 -5.053 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.391 -4.188 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.809 -3.138 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.397 -6.413 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.121 -7.176 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.157 -6.343 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.845 -2.312 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.424 -2.781 2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.000 -3.848 0.953 1.00 0.00 H new ATOM 613 N GLN A 38 -3.512 -6.868 4.834 1.00 0.00 N ATOM 614 CA GLN A 38 -3.694 -8.222 5.374 1.00 0.00 C ATOM 615 C GLN A 38 -4.963 -8.331 6.222 1.00 0.00 C ATOM 616 O GLN A 38 -5.690 -9.321 6.137 1.00 0.00 O ATOM 617 CB GLN A 38 -2.491 -8.631 6.226 1.00 0.00 C ATOM 618 CG GLN A 38 -1.244 -8.967 5.429 1.00 0.00 C ATOM 619 CD GLN A 38 0.003 -8.999 6.291 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.090 -8.318 7.313 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.980 -9.785 5.884 1.00 0.00 N ATOM 0 H GLN A 38 -2.634 -6.421 5.100 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.787 -8.892 4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.258 -7.821 6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.766 -9.496 6.830 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.374 -9.936 4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.115 -8.231 4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.871 -10.334 5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.845 -9.844 6.422 1.00 0.00 H new ATOM 630 N SER A 39 -5.224 -7.320 7.048 1.00 0.00 N ATOM 631 CA SER A 39 -6.390 -7.326 7.911 1.00 0.00 C ATOM 632 C SER A 39 -7.669 -7.178 7.092 1.00 0.00 C ATOM 633 O SER A 39 -8.678 -7.838 7.358 1.00 0.00 O ATOM 634 CB SER A 39 -6.283 -6.205 8.950 1.00 0.00 C ATOM 635 OG SER A 39 -6.239 -4.928 8.342 1.00 0.00 O ATOM 0 H SER A 39 -4.640 -6.488 7.134 1.00 0.00 H new ATOM 0 HA SER A 39 -6.431 -8.283 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.135 -6.256 9.628 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.387 -6.352 9.552 1.00 0.00 H new ATOM 0 HG SER A 39 -5.370 -4.803 7.906 1.00 0.00 H new ATOM 641 N ARG A 40 -7.608 -6.317 6.089 1.00 0.00 N ATOM 642 CA ARG A 40 -8.747 -6.049 5.225 1.00 0.00 C ATOM 643 C ARG A 40 -8.947 -7.183 4.224 1.00 0.00 C ATOM 644 O ARG A 40 -10.073 -7.500 3.840 1.00 0.00 O ATOM 645 CB ARG A 40 -8.532 -4.722 4.490 1.00 0.00 C ATOM 646 CG ARG A 40 -8.312 -3.541 5.424 1.00 0.00 C ATOM 647 CD ARG A 40 -9.131 -2.341 5.005 1.00 0.00 C ATOM 648 NE ARG A 40 -10.547 -2.677 4.881 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.537 -1.858 5.209 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.271 -0.637 5.652 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.793 -2.265 5.096 1.00 0.00 N ATOM 0 H ARG A 40 -6.771 -5.786 5.851 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.645 -5.979 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.671 -4.817 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.398 -4.520 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.578 -3.827 6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.255 -3.276 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.008 -1.542 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.761 -1.961 4.053 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.790 -3.599 4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.304 -0.326 5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.034 -0.008 5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.996 -3.206 4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.557 -1.638 5.347 1.00 0.00 H new ATOM 665 N GLU A 41 -7.847 -7.794 3.820 1.00 0.00 N ATOM 666 CA GLU A 41 -7.859 -8.865 2.836 1.00 0.00 C ATOM 667 C GLU A 41 -7.390 -10.171 3.474 1.00 0.00 C ATOM 668 O GLU A 41 -6.208 -10.514 3.396 1.00 0.00 O ATOM 669 CB GLU A 41 -6.938 -8.510 1.668 1.00 0.00 C ATOM 670 CG GLU A 41 -7.114 -7.089 1.158 1.00 0.00 C ATOM 671 CD GLU A 41 -8.471 -6.854 0.525 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.973 -7.750 -0.180 1.00 0.00 O ATOM 673 OE2 GLU A 41 -9.047 -5.768 0.726 1.00 0.00 O ATOM 0 H GLU A 41 -6.916 -7.561 4.166 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.878 -8.991 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.903 -8.649 1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.121 -9.205 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.979 -6.392 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.335 -6.871 0.427 1.00 0.00 H new ATOM 680 N PRO A 42 -8.302 -10.922 4.118 1.00 0.00 N ATOM 681 CA PRO A 42 -7.960 -12.184 4.801 1.00 0.00 C ATOM 682 C PRO A 42 -7.404 -13.265 3.866 1.00 0.00 C ATOM 683 O PRO A 42 -7.059 -14.360 4.309 1.00 0.00 O ATOM 684 CB PRO A 42 -9.294 -12.650 5.398 1.00 0.00 C ATOM 685 CG PRO A 42 -10.151 -11.432 5.442 1.00 0.00 C ATOM 686 CD PRO A 42 -9.729 -10.587 4.273 1.00 0.00 C ATOM 0 HA PRO A 42 -7.169 -12.020 5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.748 -13.429 4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.154 -13.069 6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.207 -11.695 5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.017 -10.894 6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.299 -10.826 3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.875 -9.525 4.470 1.00 0.00 H new ATOM 694 N SER A 43 -7.298 -12.951 2.585 1.00 0.00 N ATOM 695 CA SER A 43 -6.884 -13.920 1.588 1.00 0.00 C ATOM 696 C SER A 43 -5.381 -13.834 1.309 1.00 0.00 C ATOM 697 O SER A 43 -4.870 -14.508 0.411 1.00 0.00 O ATOM 698 CB SER A 43 -7.683 -13.677 0.300 1.00 0.00 C ATOM 699 OG SER A 43 -7.707 -12.292 -0.017 1.00 0.00 O ATOM 0 H SER A 43 -7.495 -12.023 2.211 1.00 0.00 H new ATOM 0 HA SER A 43 -7.084 -14.922 1.967 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.237 -14.237 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.701 -14.046 0.422 1.00 0.00 H new ATOM 0 HG SER A 43 -8.219 -12.154 -0.841 1.00 0.00 H new ATOM 705 N LEU A 44 -4.671 -13.010 2.073 1.00 0.00 N ATOM 706 CA LEU A 44 -3.234 -12.861 1.876 1.00 0.00 C ATOM 707 C LEU A 44 -2.471 -12.801 3.197 1.00 0.00 C ATOM 708 O LEU A 44 -1.339 -12.321 3.247 1.00 0.00 O ATOM 709 CB LEU A 44 -2.935 -11.629 1.012 1.00 0.00 C ATOM 710 CG LEU A 44 -3.535 -10.310 1.474 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.602 -9.617 2.443 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.828 -9.425 0.272 1.00 0.00 C ATOM 0 H LEU A 44 -5.061 -12.442 2.825 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.885 -13.750 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.853 -11.509 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.289 -11.828 0.001 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.473 -10.508 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.046 -8.675 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.439 -10.256 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.649 -9.421 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.258 -8.482 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.903 -9.229 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.534 -9.929 -0.388 1.00 0.00 H new ATOM 724 N LYS A 45 -3.063 -13.332 4.261 1.00 0.00 N ATOM 725 CA LYS A 45 -2.400 -13.328 5.563 1.00 0.00 C ATOM 726 C LYS A 45 -1.384 -14.464 5.651 1.00 0.00 C ATOM 727 O LYS A 45 -0.764 -14.682 6.690 1.00 0.00 O ATOM 728 CB LYS A 45 -3.416 -13.410 6.710 1.00 0.00 C ATOM 729 CG LYS A 45 -4.344 -14.611 6.633 1.00 0.00 C ATOM 730 CD LYS A 45 -5.652 -14.376 7.378 1.00 0.00 C ATOM 731 CE LYS A 45 -5.486 -14.494 8.884 1.00 0.00 C ATOM 732 NZ LYS A 45 -5.124 -15.875 9.302 1.00 0.00 N ATOM 0 H LYS A 45 -3.987 -13.765 4.251 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.868 -12.382 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.877 -13.441 7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.016 -12.500 6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.558 -14.836 5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.842 -15.484 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.034 -13.385 7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.396 -15.097 7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.714 -13.801 9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.414 -14.199 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.332 -15.997 10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.677 -16.561 8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.110 -16.034 9.135 1.00 0.00 H new ATOM 746 N ASN A 46 -1.223 -15.187 4.548 1.00 0.00 N ATOM 747 CA ASN A 46 -0.170 -16.192 4.437 1.00 0.00 C ATOM 748 C ASN A 46 1.176 -15.508 4.238 1.00 0.00 C ATOM 749 O ASN A 46 2.217 -16.032 4.626 1.00 0.00 O ATOM 750 CB ASN A 46 -0.442 -17.161 3.259 1.00 0.00 C ATOM 751 CG ASN A 46 -0.801 -16.433 1.973 1.00 0.00 C ATOM 752 OD1 ASN A 46 0.074 -16.027 1.207 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.090 -16.275 1.720 1.00 0.00 N ATOM 0 H ASN A 46 -1.808 -15.096 3.717 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.155 -16.772 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.441 -17.777 3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.254 -17.836 3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.388 -15.803 0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.786 -16.625 2.379 1.00 0.00 H new ATOM 760 N SER A 47 1.141 -14.328 3.633 1.00 0.00 N ATOM 761 CA SER A 47 2.345 -13.551 3.395 1.00 0.00 C ATOM 762 C SER A 47 2.807 -12.887 4.688 1.00 0.00 C ATOM 763 O SER A 47 2.048 -12.164 5.327 1.00 0.00 O ATOM 764 CB SER A 47 2.071 -12.501 2.314 1.00 0.00 C ATOM 765 OG SER A 47 1.642 -13.119 1.112 1.00 0.00 O ATOM 0 H SER A 47 0.284 -13.888 3.297 1.00 0.00 H new ATOM 0 HA SER A 47 3.140 -14.212 3.050 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.309 -11.804 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.974 -11.920 2.128 1.00 0.00 H new ATOM 0 HG SER A 47 1.470 -12.432 0.434 1.00 0.00 H new ATOM 771 N ASN A 48 4.040 -13.162 5.081 1.00 0.00 N ATOM 772 CA ASN A 48 4.618 -12.557 6.281 1.00 0.00 C ATOM 773 C ASN A 48 4.984 -11.113 5.970 1.00 0.00 C ATOM 774 O ASN A 48 5.423 -10.820 4.868 1.00 0.00 O ATOM 775 CB ASN A 48 5.884 -13.310 6.695 1.00 0.00 C ATOM 776 CG ASN A 48 5.972 -13.551 8.180 1.00 0.00 C ATOM 777 OD1 ASN A 48 6.429 -12.697 8.939 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.576 -14.738 8.591 1.00 0.00 N ATOM 0 H ASN A 48 4.665 -13.801 4.589 1.00 0.00 H new ATOM 0 HA ASN A 48 3.893 -12.604 7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.916 -14.268 6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.758 -12.744 6.373 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.641 -14.984 9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.204 -15.412 7.921 1.00 0.00 H new ATOM 785 N PRO A 49 4.810 -10.185 6.925 1.00 0.00 N ATOM 786 CA PRO A 49 5.115 -8.759 6.704 1.00 0.00 C ATOM 787 C PRO A 49 6.574 -8.497 6.313 1.00 0.00 C ATOM 788 O PRO A 49 6.884 -7.450 5.755 1.00 0.00 O ATOM 789 CB PRO A 49 4.804 -8.110 8.057 1.00 0.00 C ATOM 790 CG PRO A 49 3.866 -9.053 8.729 1.00 0.00 C ATOM 791 CD PRO A 49 4.282 -10.427 8.284 1.00 0.00 C ATOM 0 HA PRO A 49 4.535 -8.360 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.711 -7.969 8.645 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.351 -7.127 7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.925 -8.958 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.834 -8.846 8.447 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.039 -10.853 8.942 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.441 -11.121 8.274 1.00 0.00 H new ATOM 799 N ASP A 50 7.460 -9.447 6.600 1.00 0.00 N ATOM 800 CA ASP A 50 8.882 -9.298 6.280 1.00 0.00 C ATOM 801 C ASP A 50 9.218 -9.936 4.932 1.00 0.00 C ATOM 802 O ASP A 50 10.338 -9.821 4.435 1.00 0.00 O ATOM 803 CB ASP A 50 9.744 -9.926 7.376 1.00 0.00 C ATOM 804 CG ASP A 50 9.597 -9.226 8.710 1.00 0.00 C ATOM 805 OD1 ASP A 50 8.866 -9.742 9.583 1.00 0.00 O ATOM 806 OD2 ASP A 50 10.208 -8.154 8.893 1.00 0.00 O ATOM 0 H ASP A 50 7.221 -10.329 7.053 1.00 0.00 H new ATOM 0 HA ASP A 50 9.097 -8.231 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.472 -10.975 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.790 -9.899 7.070 1.00 0.00 H new ATOM 811 N GLU A 51 8.236 -10.608 4.356 1.00 0.00 N ATOM 812 CA GLU A 51 8.377 -11.291 3.072 1.00 0.00 C ATOM 813 C GLU A 51 7.105 -11.079 2.263 1.00 0.00 C ATOM 814 O GLU A 51 6.703 -11.919 1.456 1.00 0.00 O ATOM 815 CB GLU A 51 8.651 -12.788 3.276 1.00 0.00 C ATOM 816 CG GLU A 51 10.126 -13.149 3.308 1.00 0.00 C ATOM 817 CD GLU A 51 10.832 -12.863 1.999 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.426 -13.432 0.962 1.00 0.00 O ATOM 819 OE2 GLU A 51 11.808 -12.085 2.004 1.00 0.00 O ATOM 0 H GLU A 51 7.307 -10.698 4.767 1.00 0.00 H new ATOM 0 HA GLU A 51 9.227 -10.876 2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.189 -13.107 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.168 -13.347 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.614 -12.591 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.231 -14.207 3.548 1.00 0.00 H new ATOM 826 N ILE A 52 6.476 -9.943 2.522 1.00 0.00 N ATOM 827 CA ILE A 52 5.153 -9.631 2.007 1.00 0.00 C ATOM 828 C ILE A 52 5.141 -9.493 0.481 1.00 0.00 C ATOM 829 O ILE A 52 6.127 -9.085 -0.136 1.00 0.00 O ATOM 830 CB ILE A 52 4.634 -8.314 2.639 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.158 -8.087 2.328 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.425 -7.152 2.101 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.234 -9.184 2.799 1.00 0.00 C ATOM 0 H ILE A 52 6.874 -9.204 3.102 1.00 0.00 H new ATOM 0 HA ILE A 52 4.502 -10.463 2.275 1.00 0.00 H new ATOM 0 HB ILE A 52 4.754 -8.394 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.846 -7.148 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.042 -7.972 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.060 -6.226 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.478 -7.283 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.311 -7.104 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.207 -8.934 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.513 -10.124 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.314 -9.287 3.881 1.00 0.00 H new ATOM 845 N GLU A 53 4.019 -9.867 -0.111 1.00 0.00 N ATOM 846 CA GLU A 53 3.754 -9.602 -1.510 1.00 0.00 C ATOM 847 C GLU A 53 2.287 -9.195 -1.640 1.00 0.00 C ATOM 848 O GLU A 53 1.401 -10.047 -1.653 1.00 0.00 O ATOM 849 CB GLU A 53 4.043 -10.850 -2.350 1.00 0.00 C ATOM 850 CG GLU A 53 4.239 -10.571 -3.830 1.00 0.00 C ATOM 851 CD GLU A 53 4.201 -11.835 -4.663 1.00 0.00 C ATOM 852 OE1 GLU A 53 3.172 -12.077 -5.328 1.00 0.00 O ATOM 853 OE2 GLU A 53 5.192 -12.593 -4.649 1.00 0.00 O ATOM 0 H GLU A 53 3.267 -10.363 0.368 1.00 0.00 H new ATOM 0 HA GLU A 53 4.398 -8.802 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.938 -11.337 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.220 -11.554 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.463 -9.888 -4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.195 -10.069 -3.979 1.00 0.00 H new ATOM 860 N ILE A 54 2.031 -7.895 -1.700 1.00 0.00 N ATOM 861 CA ILE A 54 0.663 -7.389 -1.735 1.00 0.00 C ATOM 862 C ILE A 54 0.163 -7.316 -3.168 1.00 0.00 C ATOM 863 O ILE A 54 0.819 -6.743 -4.038 1.00 0.00 O ATOM 864 CB ILE A 54 0.536 -5.985 -1.088 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.922 -6.034 0.394 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.889 -5.457 -1.244 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.184 -4.672 0.996 1.00 0.00 C ATOM 0 H ILE A 54 2.750 -7.172 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 54 0.057 -8.087 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 54 1.221 -5.309 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.123 -6.522 0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.814 -6.650 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.964 -4.471 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.136 -5.384 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.585 -6.138 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.452 -4.784 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.003 -4.190 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.286 -4.059 0.914 1.00 0.00 H new ATOM 879 N ASP A 55 -0.993 -7.901 -3.411 1.00 0.00 N ATOM 880 CA ASP A 55 -1.596 -7.865 -4.722 1.00 0.00 C ATOM 881 C ASP A 55 -2.571 -6.693 -4.788 1.00 0.00 C ATOM 882 O ASP A 55 -3.716 -6.791 -4.332 1.00 0.00 O ATOM 883 CB ASP A 55 -2.331 -9.178 -5.020 1.00 0.00 C ATOM 884 CG ASP A 55 -1.678 -10.398 -4.397 1.00 0.00 C ATOM 885 OD1 ASP A 55 -0.754 -10.970 -5.017 1.00 0.00 O ATOM 886 OD2 ASP A 55 -2.105 -10.813 -3.296 1.00 0.00 O ATOM 0 H ASP A 55 -1.534 -8.409 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.814 -7.739 -5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.356 -9.101 -4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.384 -9.317 -6.100 1.00 0.00 H new ATOM 891 N PHE A 56 -2.121 -5.575 -5.353 1.00 0.00 N ATOM 892 CA PHE A 56 -2.931 -4.357 -5.387 1.00 0.00 C ATOM 893 C PHE A 56 -4.205 -4.572 -6.193 1.00 0.00 C ATOM 894 O PHE A 56 -5.176 -3.825 -6.070 1.00 0.00 O ATOM 895 CB PHE A 56 -2.143 -3.187 -5.978 1.00 0.00 C ATOM 896 CG PHE A 56 -2.420 -1.910 -5.251 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.938 -1.741 -3.979 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.183 -0.899 -5.808 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.198 -0.602 -3.274 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.444 0.259 -5.089 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.946 0.389 -3.821 1.00 0.00 C ATOM 0 H PHE A 56 -1.205 -5.486 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.199 -4.116 -4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.076 -3.407 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.400 -3.070 -7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.343 -2.521 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.577 -1.012 -6.807 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.806 -0.489 -2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.035 1.050 -5.526 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.149 1.285 -3.253 1.00 0.00 H new ATOM 911 N GLU A 57 -4.195 -5.614 -7.000 1.00 0.00 N ATOM 912 CA GLU A 57 -5.301 -5.917 -7.880 1.00 0.00 C ATOM 913 C GLU A 57 -6.395 -6.712 -7.180 1.00 0.00 C ATOM 914 O GLU A 57 -7.504 -6.833 -7.699 1.00 0.00 O ATOM 915 CB GLU A 57 -4.779 -6.681 -9.088 1.00 0.00 C ATOM 916 CG GLU A 57 -3.940 -5.822 -10.013 1.00 0.00 C ATOM 917 CD GLU A 57 -4.760 -4.733 -10.668 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.005 -3.693 -10.025 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.186 -4.922 -11.825 1.00 0.00 O ATOM 0 H GLU A 57 -3.419 -6.273 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.751 -4.976 -8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.183 -7.527 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.622 -7.089 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.123 -5.372 -9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.489 -6.449 -10.782 1.00 0.00 H new ATOM 926 N THR A 58 -6.097 -7.238 -6.006 1.00 0.00 N ATOM 927 CA THR A 58 -7.056 -8.067 -5.297 1.00 0.00 C ATOM 928 C THR A 58 -7.656 -7.330 -4.112 1.00 0.00 C ATOM 929 O THR A 58 -8.700 -7.724 -3.592 1.00 0.00 O ATOM 930 CB THR A 58 -6.403 -9.367 -4.811 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.330 -9.074 -3.912 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.875 -10.161 -5.989 1.00 0.00 C ATOM 0 H THR A 58 -5.206 -7.108 -5.526 1.00 0.00 H new ATOM 0 HA THR A 58 -7.854 -8.308 -6.000 1.00 0.00 H new ATOM 0 HB THR A 58 -7.156 -9.958 -4.290 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.978 -8.180 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.414 -11.081 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.698 -10.405 -6.661 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.133 -9.568 -6.524 1.00 0.00 H new ATOM 940 N LEU A 59 -6.990 -6.261 -3.694 1.00 0.00 N ATOM 941 CA LEU A 59 -7.445 -5.466 -2.558 1.00 0.00 C ATOM 942 C LEU A 59 -8.811 -4.863 -2.843 1.00 0.00 C ATOM 943 O LEU A 59 -9.094 -4.451 -3.969 1.00 0.00 O ATOM 944 CB LEU A 59 -6.457 -4.339 -2.265 1.00 0.00 C ATOM 945 CG LEU A 59 -4.989 -4.757 -2.236 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.092 -3.558 -1.985 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.769 -5.810 -1.174 1.00 0.00 C ATOM 0 H LEU A 59 -6.130 -5.923 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.512 -6.125 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.583 -3.561 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.711 -3.895 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.731 -5.177 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.051 -3.880 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.233 -2.825 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.348 -3.107 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.719 -6.101 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.045 -5.407 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.385 -6.682 -1.394 1.00 0.00 H new ATOM 959 N LYS A 60 -9.662 -4.832 -1.831 1.00 0.00 N ATOM 960 CA LYS A 60 -10.961 -4.202 -1.964 1.00 0.00 C ATOM 961 C LYS A 60 -10.793 -2.676 -1.936 1.00 0.00 C ATOM 962 O LYS A 60 -9.905 -2.176 -1.241 1.00 0.00 O ATOM 963 CB LYS A 60 -11.898 -4.699 -0.853 1.00 0.00 C ATOM 964 CG LYS A 60 -11.677 -4.068 0.513 1.00 0.00 C ATOM 965 CD LYS A 60 -12.658 -4.621 1.543 1.00 0.00 C ATOM 966 CE LYS A 60 -12.164 -5.909 2.203 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.586 -6.876 1.231 1.00 0.00 N ATOM 0 H LYS A 60 -9.476 -5.235 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.414 -4.472 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.928 -4.513 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.783 -5.779 -0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.655 -4.257 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.794 -2.987 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.832 -3.868 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.616 -4.811 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.412 -5.661 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.993 -6.382 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.315 -7.748 1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.292 -7.099 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.746 -6.458 0.783 1.00 0.00 H new ATOM 981 N PRO A 61 -11.598 -1.928 -2.735 1.00 0.00 N ATOM 982 CA PRO A 61 -11.528 -0.464 -2.838 1.00 0.00 C ATOM 983 C PRO A 61 -11.169 0.245 -1.534 1.00 0.00 C ATOM 984 O PRO A 61 -10.275 1.097 -1.510 1.00 0.00 O ATOM 985 CB PRO A 61 -12.946 -0.085 -3.253 1.00 0.00 C ATOM 986 CG PRO A 61 -13.471 -1.254 -4.014 1.00 0.00 C ATOM 987 CD PRO A 61 -12.629 -2.459 -3.650 1.00 0.00 C ATOM 0 HA PRO A 61 -10.741 -0.163 -3.529 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.566 0.125 -2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.946 0.815 -3.868 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.518 -1.431 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.423 -1.064 -5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.229 -3.231 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.180 -2.911 -4.534 1.00 0.00 H new ATOM 995 N SER A 62 -11.857 -0.115 -0.456 1.00 0.00 N ATOM 996 CA SER A 62 -11.666 0.544 0.830 1.00 0.00 C ATOM 997 C SER A 62 -10.229 0.411 1.327 1.00 0.00 C ATOM 998 O SER A 62 -9.663 1.376 1.832 1.00 0.00 O ATOM 999 CB SER A 62 -12.657 -0.001 1.860 1.00 0.00 C ATOM 1000 OG SER A 62 -12.797 -1.403 1.742 1.00 0.00 O ATOM 0 H SER A 62 -12.553 -0.861 -0.448 1.00 0.00 H new ATOM 0 HA SER A 62 -11.859 1.608 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.316 0.250 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.627 0.477 1.724 1.00 0.00 H new ATOM 0 HG SER A 62 -13.434 -1.726 2.413 1.00 0.00 H new ATOM 1006 N THR A 63 -9.630 -0.763 1.150 1.00 0.00 N ATOM 1007 CA THR A 63 -8.249 -0.984 1.567 1.00 0.00 C ATOM 1008 C THR A 63 -7.339 -0.053 0.799 1.00 0.00 C ATOM 1009 O THR A 63 -6.587 0.709 1.390 1.00 0.00 O ATOM 1010 CB THR A 63 -7.797 -2.440 1.336 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.852 -3.332 1.713 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.551 -2.760 2.150 1.00 0.00 C ATOM 0 H THR A 63 -10.077 -1.574 0.722 1.00 0.00 H new ATOM 0 HA THR A 63 -8.191 -0.783 2.637 1.00 0.00 H new ATOM 0 HB THR A 63 -7.561 -2.564 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.639 -4.238 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.253 -3.793 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.742 -2.092 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.764 -2.625 3.210 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.469 -0.081 -0.522 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.641 0.731 -1.405 1.00 0.00 C ATOM 1022 C LEU A 64 -6.735 2.204 -1.032 1.00 0.00 C ATOM 1023 O LEU A 64 -5.737 2.913 -0.996 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.082 0.521 -2.856 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.149 -0.934 -3.284 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.342 -1.136 -4.175 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.894 -1.328 -4.020 1.00 0.00 C ATOM 0 H LEU A 64 -8.149 -0.665 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.602 0.422 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.064 0.974 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.392 1.050 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.241 -1.559 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.393 -2.180 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.250 -0.874 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.250 -0.501 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.961 -2.374 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.781 -0.704 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.032 -1.191 -3.368 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.938 2.650 -0.726 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.156 4.043 -0.372 1.00 0.00 C ATOM 1041 C ARG A 65 -7.679 4.339 1.059 1.00 0.00 C ATOM 1042 O ARG A 65 -7.371 5.488 1.388 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.628 4.414 -0.552 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.133 4.260 -1.987 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.315 5.082 -2.975 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.021 5.281 -4.246 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.654 6.172 -5.173 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.732 7.083 -4.899 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.243 6.181 -6.362 1.00 0.00 N ATOM 0 H ARG A 65 -8.778 2.072 -0.715 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.562 4.661 -1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.233 3.789 0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.774 5.446 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.096 3.209 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.177 4.567 -2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.083 6.052 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.365 4.582 -3.163 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.841 4.705 -4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.298 7.108 -3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.456 7.760 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.979 5.506 -6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.960 6.862 -7.066 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.597 3.308 1.903 1.00 0.00 N ATOM 1064 CA GLU A 66 -7.042 3.466 3.244 1.00 0.00 C ATOM 1065 C GLU A 66 -5.529 3.570 3.145 1.00 0.00 C ATOM 1066 O GLU A 66 -4.904 4.413 3.790 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.412 2.268 4.123 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.867 2.229 4.573 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.236 3.378 5.483 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -9.930 4.308 5.024 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -8.830 3.363 6.664 1.00 0.00 O ATOM 0 H GLU A 66 -7.906 2.362 1.681 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.453 4.370 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.191 1.352 3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.773 2.273 5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.513 2.246 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.056 1.288 5.090 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.962 2.701 2.311 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.532 2.678 2.048 1.00 0.00 C ATOM 1080 C LEU A 67 -3.057 4.066 1.603 1.00 0.00 C ATOM 1081 O LEU A 67 -2.014 4.560 2.041 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.236 1.658 0.945 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.876 0.300 1.148 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.495 -0.648 0.031 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.499 -0.261 2.506 1.00 0.00 C ATOM 0 H LEU A 67 -5.487 1.992 1.799 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.004 2.398 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.575 2.065 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.156 1.528 0.870 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.959 0.417 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.967 -1.616 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.832 -0.241 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.412 -0.770 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.966 -1.237 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.416 -0.365 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.844 0.416 3.288 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.860 4.689 0.735 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.547 5.987 0.151 1.00 0.00 C ATOM 1099 C GLU A 68 -3.475 7.099 1.198 1.00 0.00 C ATOM 1100 O GLU A 68 -2.421 7.711 1.394 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.597 6.362 -0.883 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.292 7.679 -1.567 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.232 7.998 -2.703 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.435 8.209 -2.434 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -4.778 8.066 -3.863 1.00 0.00 O ATOM 0 H GLU A 68 -4.749 4.301 0.419 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.565 5.892 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.662 5.573 -1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.572 6.424 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.339 8.481 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.271 7.654 -1.947 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.614 7.360 1.859 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.708 8.397 2.902 1.00 0.00 C ATOM 1114 C ARG A 69 -3.625 8.206 3.938 1.00 0.00 C ATOM 1115 O ARG A 69 -3.168 9.158 4.574 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.071 8.334 3.577 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.243 9.379 4.656 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.193 8.910 5.737 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.777 7.631 6.309 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.501 6.520 6.233 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.671 6.533 5.609 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -7.059 5.397 6.780 1.00 0.00 N ATOM 0 H ARG A 69 -5.489 6.864 1.689 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.580 9.371 2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.849 8.464 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.210 7.344 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.274 9.610 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.620 10.301 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.245 9.661 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.196 8.813 5.322 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.880 7.589 6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.015 7.396 5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.227 5.680 5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.160 5.384 7.262 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.618 4.546 6.720 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.192 6.978 4.069 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.179 6.650 5.032 1.00 0.00 C ATOM 1138 C TYR A 70 -0.810 7.148 4.578 1.00 0.00 C ATOM 1139 O TYR A 70 -0.170 7.931 5.272 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.124 5.146 5.272 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.800 4.727 5.799 1.00 0.00 C ATOM 1142 CD1 TYR A 70 -0.002 3.895 5.056 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.319 5.221 7.003 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.239 3.555 5.486 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.930 4.878 7.454 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.712 4.047 6.691 1.00 0.00 C ATOM 1147 OH TYR A 70 2.968 3.720 7.130 1.00 0.00 O ATOM 0 H TYR A 70 -3.528 6.188 3.518 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.441 7.148 5.966 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.904 4.860 5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.329 4.620 4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.366 3.506 4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.936 5.884 7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.858 2.901 4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.294 5.257 8.398 1.00 0.00 H new ATOM 0 HH TYR A 70 3.357 3.045 6.536 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.350 6.692 3.424 1.00 0.00 N ATOM 1158 CA VAL A 71 0.995 7.025 2.985 1.00 0.00 C ATOM 1159 C VAL A 71 1.121 8.493 2.699 1.00 0.00 C ATOM 1160 O VAL A 71 2.147 9.089 2.983 1.00 0.00 O ATOM 1161 CB VAL A 71 1.430 6.233 1.754 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.393 4.766 2.069 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.545 6.514 0.559 1.00 0.00 C ATOM 0 H VAL A 71 -0.878 6.100 2.783 1.00 0.00 H new ATOM 0 HA VAL A 71 1.655 6.752 3.809 1.00 0.00 H new ATOM 0 HB VAL A 71 2.443 6.542 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.703 4.198 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.070 4.554 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.379 4.479 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.890 5.930 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.483 6.239 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.590 7.575 0.315 1.00 0.00 H new ATOM 1173 N THR A 72 0.072 9.086 2.168 1.00 0.00 N ATOM 1174 CA THR A 72 0.093 10.499 1.909 1.00 0.00 C ATOM 1175 C THR A 72 0.242 11.250 3.237 1.00 0.00 C ATOM 1176 O THR A 72 0.811 12.326 3.285 1.00 0.00 O ATOM 1177 CB THR A 72 -1.167 10.960 1.135 1.00 0.00 C ATOM 1178 OG1 THR A 72 -0.956 12.254 0.567 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.385 11.011 2.035 1.00 0.00 C ATOM 0 H THR A 72 -0.794 8.612 1.912 1.00 0.00 H new ATOM 0 HA THR A 72 0.946 10.728 1.271 1.00 0.00 H new ATOM 0 HB THR A 72 -1.346 10.231 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.759 12.532 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.250 11.338 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.576 10.019 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.206 11.712 2.850 1.00 0.00 H new ATOM 1187 N SER A 73 -0.203 10.635 4.335 1.00 0.00 N ATOM 1188 CA SER A 73 -0.077 11.258 5.641 1.00 0.00 C ATOM 1189 C SER A 73 1.381 11.202 6.100 1.00 0.00 C ATOM 1190 O SER A 73 1.841 12.046 6.866 1.00 0.00 O ATOM 1191 CB SER A 73 -0.993 10.565 6.655 1.00 0.00 C ATOM 1192 OG SER A 73 -0.352 9.471 7.293 1.00 0.00 O ATOM 0 H SER A 73 -0.648 9.717 4.340 1.00 0.00 H new ATOM 0 HA SER A 73 -0.382 12.302 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.312 11.287 7.407 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.892 10.213 6.149 1.00 0.00 H new ATOM 0 HG SER A 73 -0.027 8.842 6.616 1.00 0.00 H new ATOM 1198 N CYS A 74 2.101 10.203 5.602 1.00 0.00 N ATOM 1199 CA CYS A 74 3.499 10.001 5.951 1.00 0.00 C ATOM 1200 C CYS A 74 4.411 10.771 5.002 1.00 0.00 C ATOM 1201 O CYS A 74 5.405 11.369 5.415 1.00 0.00 O ATOM 1202 CB CYS A 74 3.820 8.507 5.900 1.00 0.00 C ATOM 1203 SG CYS A 74 5.503 8.075 6.402 1.00 0.00 S ATOM 0 H CYS A 74 1.732 9.513 4.947 1.00 0.00 H new ATOM 0 HA CYS A 74 3.671 10.376 6.960 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.117 7.977 6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.656 8.149 4.884 1.00 0.00 H new ATOM 0 HG CYS A 74 6.275 9.112 6.268 1.00 0.00 H new ATOM 1209 N LEU A 75 4.050 10.742 3.731 1.00 0.00 N ATOM 1210 CA LEU A 75 4.845 11.353 2.671 1.00 0.00 C ATOM 1211 C LEU A 75 4.689 12.871 2.626 1.00 0.00 C ATOM 1212 O LEU A 75 5.682 13.580 2.509 1.00 0.00 O ATOM 1213 CB LEU A 75 4.459 10.738 1.330 1.00 0.00 C ATOM 1214 CG LEU A 75 4.512 9.218 1.312 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.903 8.678 0.028 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.938 8.725 1.480 1.00 0.00 C ATOM 0 H LEU A 75 3.196 10.294 3.400 1.00 0.00 H new ATOM 0 HA LEU A 75 5.895 11.152 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.450 11.060 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.125 11.124 0.559 1.00 0.00 H new ATOM 0 HG LEU A 75 3.926 8.846 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.950 7.589 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.863 8.996 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.459 9.061 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.950 7.635 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.553 9.107 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.335 9.078 2.431 1.00 0.00 H new ATOM 1228 N ARG A 76 3.453 13.378 2.716 1.00 0.00 N ATOM 1229 CA ARG A 76 3.236 14.825 2.728 1.00 0.00 C ATOM 1230 C ARG A 76 4.010 15.445 3.885 1.00 0.00 C ATOM 1231 O ARG A 76 4.385 16.619 3.853 1.00 0.00 O ATOM 1232 CB ARG A 76 1.748 15.179 2.832 1.00 0.00 C ATOM 1233 CG ARG A 76 0.904 14.638 1.682 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.527 15.156 1.715 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.611 16.582 1.423 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.563 17.126 0.665 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.479 16.359 0.089 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.586 18.436 0.471 1.00 0.00 N ATOM 0 H ARG A 76 2.603 12.817 2.780 1.00 0.00 H new ATOM 0 HA ARG A 76 3.599 15.230 1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.356 14.790 3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.644 16.263 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.366 14.916 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.894 13.549 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.127 14.604 0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.957 14.964 2.698 1.00 0.00 H new ATOM 0 HE ARG A 76 0.098 17.198 1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.457 15.348 0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.206 16.780 -0.490 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.876 19.028 0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.314 18.853 -0.109 1.00 0.00 H new ATOM 1252 N LYS A 77 4.217 14.633 4.914 1.00 0.00 N ATOM 1253 CA LYS A 77 5.155 14.966 5.998 1.00 0.00 C ATOM 1254 C LYS A 77 6.617 14.978 5.492 1.00 0.00 C ATOM 1255 O LYS A 77 7.066 15.971 4.914 1.00 0.00 O ATOM 1256 CB LYS A 77 5.012 14.012 7.191 1.00 0.00 C ATOM 1257 CG LYS A 77 3.879 14.379 8.144 1.00 0.00 C ATOM 1258 CD LYS A 77 3.691 13.316 9.223 1.00 0.00 C ATOM 1259 CE LYS A 77 2.506 13.621 10.134 1.00 0.00 C ATOM 1260 NZ LYS A 77 2.639 14.939 10.811 1.00 0.00 N ATOM 0 H LYS A 77 3.750 13.734 5.028 1.00 0.00 H new ATOM 0 HA LYS A 77 4.899 15.969 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.846 13.001 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.950 13.997 7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.092 15.340 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.953 14.496 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.544 12.344 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.599 13.245 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.587 13.607 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.417 12.836 10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.884 15.044 11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.565 14.996 11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.561 15.700 10.107 1.00 0.00 H new ATOM 1274 N LYS A 78 7.369 13.888 5.710 1.00 0.00 N ATOM 1275 CA LYS A 78 8.752 13.807 5.248 1.00 0.00 C ATOM 1276 C LYS A 78 8.836 13.386 3.784 1.00 0.00 C ATOM 1277 O LYS A 78 8.226 12.390 3.389 1.00 0.00 O ATOM 1278 CB LYS A 78 9.521 12.788 6.078 1.00 0.00 C ATOM 1279 CG LYS A 78 11.021 12.816 5.827 1.00 0.00 C ATOM 1280 CD LYS A 78 11.679 14.058 6.419 1.00 0.00 C ATOM 1281 CE LYS A 78 11.606 14.075 7.941 1.00 0.00 C ATOM 1282 NZ LYS A 78 12.321 12.921 8.550 1.00 0.00 N ATOM 0 H LYS A 78 7.039 13.057 6.201 1.00 0.00 H new ATOM 0 HA LYS A 78 9.185 14.801 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.333 12.975 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.141 11.790 5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.477 11.925 6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.209 12.783 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.722 14.099 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.192 14.949 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.036 15.005 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.562 14.059 8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.437 13.084 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.770 12.052 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.256 12.819 8.107 1.00 0.00 H new ATOM 1296 N ARG A 79 9.633 14.127 3.009 1.00 0.00 N ATOM 1297 CA ARG A 79 9.859 13.831 1.596 1.00 0.00 C ATOM 1298 C ARG A 79 8.533 13.742 0.850 1.00 0.00 C ATOM 1299 O ARG A 79 8.118 12.673 0.402 1.00 0.00 O ATOM 1300 CB ARG A 79 10.676 12.545 1.433 1.00 0.00 C ATOM 1301 CG ARG A 79 10.958 12.159 -0.018 1.00 0.00 C ATOM 1302 CD ARG A 79 11.874 13.161 -0.710 1.00 0.00 C ATOM 1303 NE ARG A 79 13.231 13.138 -0.169 1.00 0.00 N ATOM 1304 CZ ARG A 79 14.158 14.056 -0.442 1.00 0.00 C ATOM 1305 NH1 ARG A 79 13.873 15.080 -1.239 1.00 0.00 N ATOM 1306 NH2 ARG A 79 15.374 13.947 0.077 1.00 0.00 N ATOM 0 H ARG A 79 10.138 14.947 3.345 1.00 0.00 H new ATOM 0 HA ARG A 79 10.436 14.647 1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.625 12.662 1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.144 11.726 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.415 11.170 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.017 12.091 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.907 12.943 -1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.459 14.163 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 79 13.484 12.373 0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.941 15.166 -1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.586 15.780 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.600 13.160 0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.083 14.650 -0.132 1.00 0.00 H new ATOM 1320 N LYS A 80 7.873 14.881 0.747 1.00 0.00 N ATOM 1321 CA LYS A 80 6.576 14.960 0.089 1.00 0.00 C ATOM 1322 C LYS A 80 6.717 14.880 -1.430 1.00 0.00 C ATOM 1323 O LYS A 80 7.209 15.805 -2.079 1.00 0.00 O ATOM 1324 CB LYS A 80 5.830 16.234 0.516 1.00 0.00 C ATOM 1325 CG LYS A 80 6.600 17.527 0.289 1.00 0.00 C ATOM 1326 CD LYS A 80 6.036 18.666 1.128 1.00 0.00 C ATOM 1327 CE LYS A 80 4.600 18.998 0.753 1.00 0.00 C ATOM 1328 NZ LYS A 80 4.507 19.667 -0.572 1.00 0.00 N ATOM 0 H LYS A 80 8.214 15.770 1.112 1.00 0.00 H new ATOM 0 HA LYS A 80 5.984 14.101 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.888 16.287 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.581 16.156 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.650 17.375 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.559 17.796 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.081 18.395 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.658 19.552 1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.009 18.082 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.167 19.645 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.524 19.632 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.807 20.659 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.125 19.179 -1.251 1.00 0.00 H new ATOM 1342 N PRO A 81 6.293 13.753 -2.015 1.00 0.00 N ATOM 1343 CA PRO A 81 6.365 13.529 -3.455 1.00 0.00 C ATOM 1344 C PRO A 81 5.199 14.184 -4.192 1.00 0.00 C ATOM 1345 O PRO A 81 4.368 13.509 -4.804 1.00 0.00 O ATOM 1346 CB PRO A 81 6.294 12.007 -3.566 1.00 0.00 C ATOM 1347 CG PRO A 81 5.478 11.577 -2.393 1.00 0.00 C ATOM 1348 CD PRO A 81 5.706 12.598 -1.306 1.00 0.00 C ATOM 0 HA PRO A 81 7.260 13.960 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.831 11.700 -4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.289 11.562 -3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.422 11.522 -2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.775 10.583 -2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.774 12.867 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.379 12.218 -0.537 1.00 0.00 H new ATOM 1356 N GLN A 82 5.145 15.505 -4.123 1.00 0.00 N ATOM 1357 CA GLN A 82 4.068 16.264 -4.737 1.00 0.00 C ATOM 1358 C GLN A 82 4.346 16.465 -6.225 1.00 0.00 C ATOM 1359 O GLN A 82 4.756 17.543 -6.655 1.00 0.00 O ATOM 1360 CB GLN A 82 3.919 17.614 -4.028 1.00 0.00 C ATOM 1361 CG GLN A 82 2.612 18.328 -4.325 1.00 0.00 C ATOM 1362 CD GLN A 82 2.522 19.677 -3.640 1.00 0.00 C ATOM 1363 OE1 GLN A 82 2.068 19.782 -2.498 1.00 0.00 O ATOM 1364 NE2 GLN A 82 2.946 20.720 -4.333 1.00 0.00 N ATOM 0 H GLN A 82 5.841 16.077 -3.644 1.00 0.00 H new ATOM 0 HA GLN A 82 3.135 15.710 -4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 82 4.000 17.458 -2.952 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.748 18.259 -4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.511 18.463 -5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.779 17.704 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.315 20.591 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.904 21.654 -3.926 1.00 0.00 H new ATOM 1373 N ALA A 83 4.137 15.411 -7.002 1.00 0.00 N ATOM 1374 CA ALA A 83 4.384 15.453 -8.435 1.00 0.00 C ATOM 1375 C ALA A 83 3.245 14.786 -9.197 1.00 0.00 C ATOM 1376 O ALA A 83 3.295 13.556 -9.408 1.00 0.00 O ATOM 1377 CB ALA A 83 5.716 14.794 -8.774 1.00 0.00 C ATOM 1378 OXT ALA A 83 2.293 15.496 -9.579 1.00 0.00 O ATOM 0 H ALA A 83 3.795 14.513 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 83 4.434 16.498 -8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.880 14.837 -9.851 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.523 15.320 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.700 13.753 -8.451 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 0.271 -7.232 -10.244 1.00 0.00 N ATOM 1386 CA LYS B 201 0.968 -5.929 -10.310 1.00 0.00 C ATOM 1387 C LYS B 201 1.440 -5.534 -8.923 1.00 0.00 C ATOM 1388 O LYS B 201 0.730 -5.774 -7.944 1.00 0.00 O ATOM 1389 CB LYS B 201 0.032 -4.857 -10.873 1.00 0.00 C ATOM 1390 CG LYS B 201 -0.582 -5.236 -12.213 1.00 0.00 C ATOM 1391 CD LYS B 201 -1.356 -4.084 -12.831 1.00 0.00 C ATOM 1392 CE LYS B 201 -0.431 -2.965 -13.279 1.00 0.00 C ATOM 1393 NZ LYS B 201 0.564 -3.431 -14.283 1.00 0.00 N ATOM 0 HA LYS B 201 1.831 -6.018 -10.970 1.00 0.00 H new ATOM 0 HB2 LYS B 201 -0.767 -4.669 -10.156 1.00 0.00 H new ATOM 0 HB3 LYS B 201 0.585 -3.925 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS B 201 0.206 -5.551 -12.897 1.00 0.00 H new ATOM 0 HG3 LYS B 201 -1.247 -6.089 -12.079 1.00 0.00 H new ATOM 0 HD2 LYS B 201 -1.929 -4.446 -13.684 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -2.073 -3.696 -12.107 1.00 0.00 H new ATOM 0 HE2 LYS B 201 -1.023 -2.154 -13.704 1.00 0.00 H new ATOM 0 HE3 LYS B 201 0.091 -2.558 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 0.951 -2.612 -14.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 1.335 -3.934 -13.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 0.102 -4.073 -14.958 1.00 0.00 H new ATOM 1409 N TRP B 202 2.633 -4.937 -8.846 1.00 0.00 N ATOM 1410 CA TRP B 202 3.255 -4.601 -7.568 1.00 0.00 C ATOM 1411 C TRP B 202 3.642 -5.895 -6.857 1.00 0.00 C ATOM 1412 O TRP B 202 3.377 -6.094 -5.672 1.00 0.00 O ATOM 1413 CB TRP B 202 2.300 -3.749 -6.721 1.00 0.00 C ATOM 1414 CG TRP B 202 2.907 -3.135 -5.497 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.166 -2.626 -5.358 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.249 -2.928 -4.248 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.331 -2.121 -4.091 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.168 -2.293 -3.391 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.973 -3.220 -3.770 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.845 -1.942 -2.084 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.657 -2.868 -2.472 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.587 -2.236 -1.644 1.00 0.00 C ATOM 0 H TRP B 202 3.188 -4.676 -9.661 1.00 0.00 H new ATOM 0 HA TRP B 202 4.156 -4.009 -7.730 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.898 -2.952 -7.347 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.458 -4.370 -6.417 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.921 -2.621 -6.130 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.182 -1.688 -3.731 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.247 -3.711 -4.401 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.563 -1.455 -1.441 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.329 -3.086 -2.090 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.305 -1.975 -0.635 1.00 0.00 H new ATOM 1433 N THR B 203 4.266 -6.782 -7.619 1.00 0.00 N ATOM 1434 CA THR B 203 4.617 -8.107 -7.139 1.00 0.00 C ATOM 1435 C THR B 203 5.832 -8.066 -6.206 1.00 0.00 C ATOM 1436 O THR B 203 6.270 -6.987 -5.794 1.00 0.00 O ATOM 1437 CB THR B 203 4.908 -9.037 -8.328 1.00 0.00 C ATOM 1438 OG1 THR B 203 4.400 -8.445 -9.533 1.00 0.00 O ATOM 1439 CG2 THR B 203 4.259 -10.398 -8.123 1.00 0.00 C ATOM 0 H THR B 203 4.542 -6.602 -8.584 1.00 0.00 H new ATOM 0 HA THR B 203 3.769 -8.490 -6.572 1.00 0.00 H new ATOM 0 HB THR B 203 5.987 -9.174 -8.404 1.00 0.00 H new ATOM 0 HG1 THR B 203 4.587 -9.036 -10.292 1.00 0.00 H new ATOM 0 HG21 THR B 203 4.479 -11.038 -8.977 1.00 0.00 H new ATOM 0 HG22 THR B 203 4.653 -10.856 -7.215 1.00 0.00 H new ATOM 0 HG23 THR B 203 3.180 -10.276 -8.029 1.00 0.00 H new ATOM 1447 N LEU B 204 6.373 -9.243 -5.886 1.00 0.00 N ATOM 1448 CA LEU B 204 7.479 -9.363 -4.938 1.00 0.00 C ATOM 1449 C LEU B 204 8.650 -8.462 -5.313 1.00 0.00 C ATOM 1450 O LEU B 204 9.266 -7.856 -4.440 1.00 0.00 O ATOM 1451 CB LEU B 204 7.951 -10.823 -4.804 1.00 0.00 C ATOM 1452 CG LEU B 204 8.575 -11.467 -6.052 1.00 0.00 C ATOM 1453 CD1 LEU B 204 9.308 -12.742 -5.670 1.00 0.00 C ATOM 1454 CD2 LEU B 204 7.517 -11.782 -7.100 1.00 0.00 C ATOM 0 H LEU B 204 6.059 -10.133 -6.274 1.00 0.00 H new ATOM 0 HA LEU B 204 7.098 -9.034 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU B 204 8.681 -10.871 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.098 -11.429 -4.499 1.00 0.00 H new ATOM 0 HG LEU B 204 9.279 -10.753 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU B 204 9.747 -13.191 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU B 204 10.097 -12.508 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU B 204 8.607 -13.444 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU B 204 7.991 -12.236 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU B 204 6.786 -12.474 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU B 204 7.016 -10.861 -7.399 1.00 0.00 H new ATOM 1466 N GLU B 205 8.951 -8.360 -6.603 1.00 0.00 N ATOM 1467 CA GLU B 205 10.030 -7.495 -7.054 1.00 0.00 C ATOM 1468 C GLU B 205 9.812 -6.061 -6.570 1.00 0.00 C ATOM 1469 O GLU B 205 10.634 -5.518 -5.839 1.00 0.00 O ATOM 1470 CB GLU B 205 10.180 -7.546 -8.580 1.00 0.00 C ATOM 1471 CG GLU B 205 8.880 -7.380 -9.353 1.00 0.00 C ATOM 1472 CD GLU B 205 9.097 -7.418 -10.851 1.00 0.00 C ATOM 1473 OE1 GLU B 205 9.123 -6.339 -11.477 1.00 0.00 O ATOM 1474 OE2 GLU B 205 9.262 -8.525 -11.406 1.00 0.00 O ATOM 0 H GLU B 205 8.467 -8.862 -7.348 1.00 0.00 H new ATOM 0 HA GLU B 205 10.960 -7.861 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU B 205 10.873 -6.764 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU B 205 10.631 -8.499 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU B 205 8.186 -8.171 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU B 205 8.414 -6.433 -9.079 1.00 0.00 H new ATOM 1481 N ARG B 206 8.679 -5.480 -6.927 1.00 0.00 N ATOM 1482 CA ARG B 206 8.381 -4.104 -6.560 1.00 0.00 C ATOM 1483 C ARG B 206 8.338 -3.935 -5.047 1.00 0.00 C ATOM 1484 O ARG B 206 9.193 -3.266 -4.459 1.00 0.00 O ATOM 1485 CB ARG B 206 7.045 -3.671 -7.161 1.00 0.00 C ATOM 1486 CG ARG B 206 7.044 -3.594 -8.676 1.00 0.00 C ATOM 1487 CD ARG B 206 8.056 -2.580 -9.174 1.00 0.00 C ATOM 1488 NE ARG B 206 7.943 -2.348 -10.610 1.00 0.00 N ATOM 1489 CZ ARG B 206 8.722 -1.508 -11.284 1.00 0.00 C ATOM 1490 NH1 ARG B 206 9.701 -0.861 -10.659 1.00 0.00 N ATOM 1491 NH2 ARG B 206 8.530 -1.320 -12.582 1.00 0.00 N ATOM 0 H ARG B 206 7.949 -5.940 -7.471 1.00 0.00 H new ATOM 0 HA ARG B 206 9.178 -3.475 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG B 206 6.272 -4.370 -6.843 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.777 -2.694 -6.758 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.273 -4.575 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG B 206 6.049 -3.322 -9.028 1.00 0.00 H new ATOM 0 HD2 ARG B 206 7.915 -1.638 -8.643 1.00 0.00 H new ATOM 0 HD3 ARG B 206 9.062 -2.929 -8.942 1.00 0.00 H new ATOM 0 HE ARG B 206 7.226 -2.859 -11.125 1.00 0.00 H new ATOM 0 HH11 ARG B 206 9.855 -1.009 -9.662 1.00 0.00 H new ATOM 0 HH12 ARG B 206 10.298 -0.217 -11.177 1.00 0.00 H new ATOM 0 HH21 ARG B 206 7.784 -1.820 -13.065 1.00 0.00 H new ATOM 0 HH22 ARG B 206 9.129 -0.675 -13.098 1.00 0.00 H new ATOM 1505 N LEU B 207 7.360 -4.573 -4.424 1.00 0.00 N ATOM 1506 CA LEU B 207 7.115 -4.392 -3.004 1.00 0.00 C ATOM 1507 C LEU B 207 8.253 -4.936 -2.158 1.00 0.00 C ATOM 1508 O LEU B 207 8.944 -4.177 -1.489 1.00 0.00 O ATOM 1509 CB LEU B 207 5.803 -5.067 -2.605 1.00 0.00 C ATOM 1510 CG LEU B 207 5.480 -5.042 -1.108 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.529 -3.627 -0.558 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.116 -5.643 -0.872 1.00 0.00 C ATOM 0 H LEU B 207 6.721 -5.223 -4.882 1.00 0.00 H new ATOM 0 HA LEU B 207 7.046 -3.320 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU B 207 4.987 -4.584 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.833 -6.105 -2.936 1.00 0.00 H new ATOM 0 HG LEU B 207 6.233 -5.631 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.295 -3.642 0.507 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.527 -3.214 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.800 -3.008 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.889 -5.624 0.194 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.366 -5.066 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.106 -6.674 -1.226 1.00 0.00 H new ATOM 1524 N LYS B 208 8.456 -6.242 -2.212 1.00 0.00 N ATOM 1525 CA LYS B 208 9.365 -6.914 -1.293 1.00 0.00 C ATOM 1526 C LYS B 208 10.799 -6.393 -1.420 1.00 0.00 C ATOM 1527 O LYS B 208 11.492 -6.232 -0.412 1.00 0.00 O ATOM 1528 CB LYS B 208 9.329 -8.426 -1.524 1.00 0.00 C ATOM 1529 CG LYS B 208 10.071 -9.223 -0.465 1.00 0.00 C ATOM 1530 CD LYS B 208 10.117 -10.706 -0.802 1.00 0.00 C ATOM 1531 CE LYS B 208 8.728 -11.318 -0.891 1.00 0.00 C ATOM 1532 NZ LYS B 208 8.788 -12.796 -1.044 1.00 0.00 N ATOM 0 H LYS B 208 8.003 -6.861 -2.884 1.00 0.00 H new ATOM 0 HA LYS B 208 9.026 -6.695 -0.280 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.290 -8.756 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.761 -8.646 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.087 -8.841 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.585 -9.085 0.501 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.635 -10.845 -1.751 1.00 0.00 H new ATOM 0 HD3 LYS B 208 10.696 -11.232 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.162 -11.068 0.006 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.193 -10.886 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.832 -13.194 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.170 -13.033 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 9.405 -13.196 -0.308 1.00 0.00 H new ATOM 1546 N ARG B 209 11.241 -6.099 -2.644 1.00 0.00 N ATOM 1547 CA ARG B 209 12.621 -5.674 -2.847 1.00 0.00 C ATOM 1548 C ARG B 209 12.836 -4.254 -2.332 1.00 0.00 C ATOM 1549 O ARG B 209 13.893 -3.945 -1.790 1.00 0.00 O ATOM 1550 CB ARG B 209 13.028 -5.776 -4.320 1.00 0.00 C ATOM 1551 CG ARG B 209 13.392 -7.184 -4.791 1.00 0.00 C ATOM 1552 CD ARG B 209 12.337 -8.226 -4.433 1.00 0.00 C ATOM 1553 NE ARG B 209 12.494 -9.452 -5.214 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.488 -10.680 -4.698 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.417 -10.859 -3.386 1.00 0.00 N ATOM 1556 NH2 ARG B 209 12.574 -11.733 -5.500 1.00 0.00 N ATOM 0 H ARG B 209 10.675 -6.147 -3.491 1.00 0.00 H new ATOM 0 HA ARG B 209 13.257 -6.349 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.209 -5.403 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG B 209 13.880 -5.119 -4.493 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.532 -7.174 -5.872 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.345 -7.474 -4.348 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.405 -8.461 -3.371 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.344 -7.811 -4.605 1.00 0.00 H new ATOM 0 HE ARG B 209 12.616 -9.361 -6.223 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.366 -10.053 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG B 209 12.413 -11.803 -3.000 1.00 0.00 H new ATOM 0 HH21 ARG B 209 12.645 -11.601 -6.509 1.00 0.00 H new ATOM 0 HH22 ARG B 209 12.570 -12.675 -5.108 1.00 0.00 H new ATOM 1570 N LYS B 210 11.834 -3.390 -2.491 1.00 0.00 N ATOM 1571 CA LYS B 210 11.925 -2.028 -1.971 1.00 0.00 C ATOM 1572 C LYS B 210 11.630 -1.998 -0.474 1.00 0.00 C ATOM 1573 O LYS B 210 12.191 -1.191 0.264 1.00 0.00 O ATOM 1574 CB LYS B 210 10.965 -1.097 -2.717 1.00 0.00 C ATOM 1575 CG LYS B 210 11.359 -0.820 -4.164 1.00 0.00 C ATOM 1576 CD LYS B 210 12.251 0.415 -4.301 1.00 0.00 C ATOM 1577 CE LYS B 210 13.624 0.224 -3.672 1.00 0.00 C ATOM 1578 NZ LYS B 210 14.371 -0.899 -4.296 1.00 0.00 N ATOM 0 H LYS B 210 10.960 -3.606 -2.970 1.00 0.00 H new ATOM 0 HA LYS B 210 12.944 -1.676 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS B 210 9.967 -1.535 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.906 -0.150 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS B 210 11.881 -1.688 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS B 210 10.459 -0.682 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS B 210 12.371 0.656 -5.357 1.00 0.00 H new ATOM 0 HD3 LYS B 210 11.758 1.267 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS B 210 14.200 1.144 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS B 210 13.511 0.035 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 15.351 -0.900 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 13.915 -1.800 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 14.371 -0.784 -5.330 1.00 0.00 H new ATOM 1592 N TYR B 211 10.753 -2.892 -0.041 1.00 0.00 N ATOM 1593 CA TYR B 211 10.373 -3.011 1.363 1.00 0.00 C ATOM 1594 C TYR B 211 11.601 -3.284 2.223 1.00 0.00 C ATOM 1595 O TYR B 211 11.885 -2.556 3.176 1.00 0.00 O ATOM 1596 CB TYR B 211 9.362 -4.156 1.508 1.00 0.00 C ATOM 1597 CG TYR B 211 8.707 -4.273 2.866 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.357 -3.998 3.016 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.424 -4.675 3.988 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.739 -4.117 4.247 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.813 -4.791 5.221 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.470 -4.511 5.344 1.00 0.00 C ATOM 1603 OH TYR B 211 6.853 -4.627 6.569 1.00 0.00 O ATOM 0 H TYR B 211 10.282 -3.558 -0.654 1.00 0.00 H new ATOM 0 HA TYR B 211 9.922 -2.077 1.699 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.583 -4.027 0.757 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.868 -5.095 1.285 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.779 -3.686 2.159 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.476 -4.900 3.893 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.686 -3.901 4.347 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.385 -5.099 6.084 1.00 0.00 H new ATOM 0 HH TYR B 211 6.629 -5.567 6.735 1.00 0.00 H new ATOM 1613 N ARG B 212 12.336 -4.327 1.863 1.00 0.00 N ATOM 1614 CA ARG B 212 13.493 -4.757 2.637 1.00 0.00 C ATOM 1615 C ARG B 212 14.734 -3.936 2.293 1.00 0.00 C ATOM 1616 O ARG B 212 15.824 -4.207 2.799 1.00 0.00 O ATOM 1617 CB ARG B 212 13.764 -6.242 2.401 1.00 0.00 C ATOM 1618 CG ARG B 212 12.628 -7.153 2.844 1.00 0.00 C ATOM 1619 CD ARG B 212 13.003 -8.618 2.694 1.00 0.00 C ATOM 1620 NE ARG B 212 14.194 -8.952 3.477 1.00 0.00 N ATOM 1621 CZ ARG B 212 14.882 -10.086 3.352 1.00 0.00 C ATOM 1622 NH1 ARG B 212 14.473 -11.030 2.514 1.00 0.00 N ATOM 1623 NH2 ARG B 212 15.973 -10.280 4.082 1.00 0.00 N ATOM 0 H ARG B 212 12.150 -4.894 1.036 1.00 0.00 H new ATOM 0 HA ARG B 212 13.266 -4.596 3.691 1.00 0.00 H new ATOM 0 HB2 ARG B 212 13.953 -6.403 1.340 1.00 0.00 H new ATOM 0 HB3 ARG B 212 14.672 -6.525 2.933 1.00 0.00 H new ATOM 0 HG2 ARG B 212 12.377 -6.945 3.884 1.00 0.00 H new ATOM 0 HG3 ARG B 212 11.737 -6.941 2.252 1.00 0.00 H new ATOM 0 HD2 ARG B 212 12.169 -9.242 3.015 1.00 0.00 H new ATOM 0 HD3 ARG B 212 13.183 -8.842 1.643 1.00 0.00 H new ATOM 0 HE ARG B 212 14.519 -8.271 4.164 1.00 0.00 H new ATOM 0 HH11 ARG B 212 13.627 -10.890 1.961 1.00 0.00 H new ATOM 0 HH12 ARG B 212 15.004 -11.896 2.423 1.00 0.00 H new ATOM 0 HH21 ARG B 212 16.283 -9.562 4.737 1.00 0.00 H new ATOM 0 HH22 ARG B 212 16.502 -11.147 3.988 1.00 0.00 H new ATOM 1637 N ASN B 213 14.573 -2.943 1.430 1.00 0.00 N ATOM 1638 CA ASN B 213 15.687 -2.094 1.033 1.00 0.00 C ATOM 1639 C ASN B 213 15.675 -0.805 1.840 1.00 0.00 C ATOM 1640 O ASN B 213 16.385 -0.737 2.862 1.00 0.00 O ATOM 1641 CB ASN B 213 15.623 -1.774 -0.460 1.00 0.00 C ATOM 1642 CG ASN B 213 16.833 -0.994 -0.936 1.00 0.00 C ATOM 1643 OD1 ASN B 213 17.844 -1.576 -1.328 1.00 0.00 O ATOM 1644 ND2 ASN B 213 16.737 0.326 -0.918 1.00 0.00 N ATOM 1645 OXT ASN B 213 14.937 0.128 1.460 1.00 0.00 O ATOM 0 H ASN B 213 13.683 -2.706 0.992 1.00 0.00 H new ATOM 0 HA ASN B 213 16.614 -2.633 1.230 1.00 0.00 H new ATOM 0 HB2 ASN B 213 15.548 -2.703 -1.025 1.00 0.00 H new ATOM 0 HB3 ASN B 213 14.720 -1.200 -0.668 1.00 0.00 H new ATOM 0 HD21 ASN B 213 17.519 0.899 -1.237 1.00 0.00 H new ATOM 0 HD22 ASN B 213 15.881 0.771 -0.586 1.00 0.00 H new TER 1652 ASN B 213