USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= 0.574 X(o=2,f=1.5) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 107 GLN : amide:sc= 1.42 X(o=2,f=1.5) USER MOD Set 2.1: A 74 THR OG1 : rot -65:sc= 0.731 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.649 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.964 K(o=0.96,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.507 USER MOD Single : A 17 CYS SG : rot 61:sc= 0.215 USER MOD Single : A 20 ASN : amide:sc= -0.0641 K(o=-0.064,f=-0.6) USER MOD Single : A 22 SER OG : rot 150:sc= 0.126 USER MOD Single : A 26 ASN : amide:sc= 2.12 K(o=2.1,f=-7.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -48:sc= 0.105 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= 0.0982 (180deg=0) USER MOD Single : A 39 MET CE :methyl -159:sc= 0 (180deg=-0.802) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.09 K(o=2.1,f=-0.12) USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 1.11 (180deg=0.722) USER MOD Single : A 45 SER OG : rot 57:sc= 0.0217 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -165:sc= 0.00121 USER MOD Single : A 62 LYS NZ :NH3+ -116:sc= 0.105 (180deg=-0.101) USER MOD Single : A 63 ASN : amide:sc= 0.15 X(o=0.15,f=-0.094) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -24:sc= 0.023 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0909) USER MOD Single : A 86 MET CE :methyl -159:sc= -0.0118 (180deg=-0.375) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.583 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.114 14.880 -8.665 1.00 0.00 N ATOM 2 CA CYS A 2 -0.641 15.345 -9.959 1.00 0.00 C ATOM 3 C CYS A 2 0.778 14.831 -10.301 1.00 0.00 C ATOM 4 O CYS A 2 1.396 15.264 -11.280 1.00 0.00 O ATOM 5 CB CYS A 2 -0.848 16.888 -10.057 1.00 0.00 C ATOM 6 SG CYS A 2 -0.773 17.866 -8.490 1.00 0.00 S ATOM 0 HA CYS A 2 -1.243 14.903 -10.753 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.094 17.285 -10.737 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.819 17.068 -10.518 1.00 0.00 H new ATOM 11 N GLY A 3 1.304 13.905 -9.489 1.00 0.00 N ATOM 12 CA GLY A 3 2.646 13.309 -9.580 1.00 0.00 C ATOM 13 C GLY A 3 3.732 14.279 -9.107 1.00 0.00 C ATOM 14 O GLY A 3 4.682 13.865 -8.447 1.00 0.00 O ATOM 0 H GLY A 3 0.773 13.528 -8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.682 12.401 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.844 13.016 -10.611 1.00 0.00 H new ATOM 18 N ASP A 4 3.552 15.582 -9.339 1.00 0.00 N ATOM 19 CA ASP A 4 4.403 16.621 -8.755 1.00 0.00 C ATOM 20 C ASP A 4 4.220 16.649 -7.218 1.00 0.00 C ATOM 21 O ASP A 4 5.102 17.144 -6.510 1.00 0.00 O ATOM 22 CB ASP A 4 4.089 17.984 -9.384 1.00 0.00 C ATOM 23 CG ASP A 4 4.734 18.138 -10.772 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.985 18.208 -10.852 1.00 0.00 O ATOM 25 OD2 ASP A 4 4.002 18.219 -11.788 1.00 0.00 O ATOM 0 H ASP A 4 2.811 15.946 -9.938 1.00 0.00 H new ATOM 0 HA ASP A 4 5.447 16.393 -8.967 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.009 18.104 -9.470 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.446 18.778 -8.728 1.00 0.00 H new ATOM 30 N CYS A 5 3.114 16.078 -6.709 1.00 0.00 N ATOM 31 CA CYS A 5 2.801 15.916 -5.291 1.00 0.00 C ATOM 32 C CYS A 5 3.823 15.026 -4.539 1.00 0.00 C ATOM 33 O CYS A 5 3.952 15.133 -3.318 1.00 0.00 O ATOM 34 CB CYS A 5 1.411 15.254 -5.117 1.00 0.00 C ATOM 35 SG CYS A 5 -0.023 16.175 -5.769 1.00 0.00 S ATOM 0 H CYS A 5 2.382 15.701 -7.311 1.00 0.00 H new ATOM 0 HA CYS A 5 2.828 16.921 -4.870 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.436 14.277 -5.600 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.248 15.079 -4.054 1.00 0.00 H new ATOM 40 N VAL A 6 4.518 14.110 -5.233 1.00 0.00 N ATOM 41 CA VAL A 6 5.437 13.126 -4.628 1.00 0.00 C ATOM 42 C VAL A 6 6.905 13.406 -5.010 1.00 0.00 C ATOM 43 O VAL A 6 7.209 13.731 -6.159 1.00 0.00 O ATOM 44 CB VAL A 6 5.015 11.676 -4.970 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.552 11.402 -4.587 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.169 11.250 -6.436 1.00 0.00 C ATOM 0 H VAL A 6 4.457 14.029 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 6 5.367 13.235 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 6 5.720 11.091 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.295 10.374 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.422 11.552 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.899 12.085 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.842 10.217 -6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.560 11.896 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.215 11.335 -6.732 1.00 0.00 H new ATOM 56 N GLU A 7 7.839 13.278 -4.061 1.00 0.00 N ATOM 57 CA GLU A 7 9.286 13.466 -4.282 1.00 0.00 C ATOM 58 C GLU A 7 9.837 12.407 -5.259 1.00 0.00 C ATOM 59 O GLU A 7 10.649 12.728 -6.134 1.00 0.00 O ATOM 60 CB GLU A 7 10.032 13.469 -2.929 1.00 0.00 C ATOM 61 CG GLU A 7 11.554 13.520 -3.064 1.00 0.00 C ATOM 62 CD GLU A 7 12.235 13.819 -1.714 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.388 15.014 -1.358 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.652 12.864 -1.013 1.00 0.00 O ATOM 0 H GLU A 7 7.610 13.036 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 7 9.454 14.436 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.700 14.326 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.756 12.575 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.917 12.568 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.830 14.286 -3.789 1.00 0.00 H new ATOM 71 N LYS A 8 9.350 11.163 -5.148 1.00 0.00 N ATOM 72 CA LYS A 8 9.649 10.025 -6.027 1.00 0.00 C ATOM 73 C LYS A 8 8.359 9.262 -6.329 1.00 0.00 C ATOM 74 O LYS A 8 7.500 9.117 -5.457 1.00 0.00 O ATOM 75 CB LYS A 8 10.669 9.083 -5.357 1.00 0.00 C ATOM 76 CG LYS A 8 12.075 9.694 -5.269 1.00 0.00 C ATOM 77 CD LYS A 8 13.073 8.708 -4.650 1.00 0.00 C ATOM 78 CE LYS A 8 14.462 9.354 -4.571 1.00 0.00 C ATOM 79 NZ LYS A 8 15.464 8.431 -3.976 1.00 0.00 N ATOM 0 H LYS A 8 8.702 10.911 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 8 10.078 10.398 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.323 8.834 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.718 8.150 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.413 9.979 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.041 10.605 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.740 8.417 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.119 7.799 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.785 9.647 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.407 10.265 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.391 8.902 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.168 8.172 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.535 7.573 -4.559 1.00 0.00 H new ATOM 93 N GLU A 9 8.238 8.748 -7.549 1.00 0.00 N ATOM 94 CA GLU A 9 7.112 7.911 -7.984 1.00 0.00 C ATOM 95 C GLU A 9 7.340 6.467 -7.511 1.00 0.00 C ATOM 96 O GLU A 9 8.378 5.878 -7.823 1.00 0.00 O ATOM 97 CB GLU A 9 7.010 7.933 -9.522 1.00 0.00 C ATOM 98 CG GLU A 9 6.324 9.188 -10.072 1.00 0.00 C ATOM 99 CD GLU A 9 6.908 9.590 -11.442 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.403 9.113 -12.488 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.881 10.383 -11.483 1.00 0.00 O ATOM 0 H GLU A 9 8.931 8.902 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 9 6.188 8.298 -7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.012 7.861 -9.946 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.460 7.053 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.254 9.007 -10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.445 10.010 -9.367 1.00 0.00 H new ATOM 108 N TYR A 10 6.379 5.892 -6.775 1.00 0.00 N ATOM 109 CA TYR A 10 6.437 4.520 -6.236 1.00 0.00 C ATOM 110 C TYR A 10 7.792 4.185 -5.568 1.00 0.00 C ATOM 111 O TYR A 10 8.491 3.258 -5.995 1.00 0.00 O ATOM 112 CB TYR A 10 6.020 3.486 -7.300 1.00 0.00 C ATOM 113 CG TYR A 10 4.660 3.698 -7.947 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.475 4.731 -8.891 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.576 2.862 -7.607 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.212 4.954 -9.464 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.303 3.095 -8.169 1.00 0.00 C ATOM 118 CZ TYR A 10 2.119 4.138 -9.103 1.00 0.00 C ATOM 119 OH TYR A 10 0.895 4.369 -9.653 1.00 0.00 O ATOM 0 H TYR A 10 5.516 6.378 -6.530 1.00 0.00 H new ATOM 0 HA TYR A 10 5.706 4.465 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.776 3.479 -8.086 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.030 2.498 -6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.310 5.354 -9.175 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.720 2.044 -6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.078 5.750 -10.181 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.467 2.474 -7.884 1.00 0.00 H new ATOM 0 HH TYR A 10 0.251 3.720 -9.301 1.00 0.00 H new ATOM 129 N PRO A 11 8.187 4.933 -4.519 1.00 0.00 N ATOM 130 CA PRO A 11 9.453 4.722 -3.816 1.00 0.00 C ATOM 131 C PRO A 11 9.509 3.339 -3.156 1.00 0.00 C ATOM 132 O PRO A 11 8.493 2.841 -2.675 1.00 0.00 O ATOM 133 CB PRO A 11 9.503 5.839 -2.767 1.00 0.00 C ATOM 134 CG PRO A 11 8.037 6.149 -2.496 1.00 0.00 C ATOM 135 CD PRO A 11 7.439 6.019 -3.891 1.00 0.00 C ATOM 0 HA PRO A 11 10.305 4.753 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.017 5.515 -1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.035 6.714 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.592 5.446 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.898 7.147 -2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.374 5.791 -3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.542 6.947 -4.453 1.00 0.00 H new ATOM 143 N ASN A 12 10.680 2.708 -3.076 1.00 0.00 N ATOM 144 CA ASN A 12 10.799 1.436 -2.359 1.00 0.00 C ATOM 145 C ASN A 12 10.802 1.708 -0.843 1.00 0.00 C ATOM 146 O ASN A 12 11.325 2.729 -0.386 1.00 0.00 O ATOM 147 CB ASN A 12 12.074 0.697 -2.800 1.00 0.00 C ATOM 148 CG ASN A 12 12.033 0.265 -4.257 1.00 0.00 C ATOM 149 OD1 ASN A 12 11.349 -0.672 -4.641 1.00 0.00 O ATOM 150 ND2 ASN A 12 12.779 0.923 -5.114 1.00 0.00 N ATOM 0 H ASN A 12 11.547 3.048 -3.491 1.00 0.00 H new ATOM 0 HA ASN A 12 9.949 0.796 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.936 1.345 -2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.215 -0.181 -2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.786 0.652 -6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.351 1.706 -4.797 1.00 0.00 H new ATOM 157 N ARG A 13 10.209 0.796 -0.064 1.00 0.00 N ATOM 158 CA ARG A 13 10.026 0.933 1.401 1.00 0.00 C ATOM 159 C ARG A 13 10.695 -0.162 2.235 1.00 0.00 C ATOM 160 O ARG A 13 10.204 -0.516 3.307 1.00 0.00 O ATOM 161 CB ARG A 13 8.519 1.049 1.706 1.00 0.00 C ATOM 162 CG ARG A 13 7.803 2.206 1.001 1.00 0.00 C ATOM 163 CD ARG A 13 8.359 3.592 1.360 1.00 0.00 C ATOM 164 NE ARG A 13 8.252 3.881 2.806 1.00 0.00 N ATOM 165 CZ ARG A 13 7.152 4.161 3.485 1.00 0.00 C ATOM 166 NH1 ARG A 13 5.988 4.288 2.916 1.00 0.00 N ATOM 167 NH2 ARG A 13 7.202 4.306 4.778 1.00 0.00 N ATOM 0 H ARG A 13 9.833 -0.077 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 13 10.543 1.843 1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.033 0.115 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.389 1.163 2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.877 2.064 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.743 2.173 1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.404 3.652 1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.819 4.354 0.798 1.00 0.00 H new ATOM 0 HE ARG A 13 9.122 3.862 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.898 4.171 1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.166 4.505 3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.090 4.204 5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.353 4.522 5.300 1.00 0.00 H new ATOM 181 N GLY A 14 11.788 -0.739 1.735 1.00 0.00 N ATOM 182 CA GLY A 14 12.518 -1.820 2.420 1.00 0.00 C ATOM 183 C GLY A 14 11.629 -3.026 2.756 1.00 0.00 C ATOM 184 O GLY A 14 11.770 -3.623 3.823 1.00 0.00 O ATOM 0 H GLY A 14 12.198 -0.473 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.344 -2.149 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.954 -1.430 3.340 1.00 0.00 H new ATOM 188 N ASN A 15 10.699 -3.336 1.843 1.00 0.00 N ATOM 189 CA ASN A 15 9.703 -4.417 1.874 1.00 0.00 C ATOM 190 C ASN A 15 8.428 -4.107 2.708 1.00 0.00 C ATOM 191 O ASN A 15 7.596 -4.995 2.905 1.00 0.00 O ATOM 192 CB ASN A 15 10.332 -5.776 2.266 1.00 0.00 C ATOM 193 CG ASN A 15 11.533 -6.267 1.467 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.170 -5.568 0.687 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.884 -7.520 1.649 1.00 0.00 N ATOM 0 H ASN A 15 10.617 -2.788 0.987 1.00 0.00 H new ATOM 0 HA ASN A 15 9.350 -4.493 0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.630 -5.716 3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.553 -6.536 2.199 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.682 -7.905 1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.359 -8.108 2.296 1.00 0.00 H new ATOM 202 N THR A 16 8.229 -2.875 3.197 1.00 0.00 N ATOM 203 CA THR A 16 7.049 -2.497 4.007 1.00 0.00 C ATOM 204 C THR A 16 5.776 -2.442 3.151 1.00 0.00 C ATOM 205 O THR A 16 5.705 -1.618 2.242 1.00 0.00 O ATOM 206 CB THR A 16 7.290 -1.127 4.672 1.00 0.00 C ATOM 207 OG1 THR A 16 8.421 -1.183 5.517 1.00 0.00 O ATOM 208 CG2 THR A 16 6.122 -0.638 5.522 1.00 0.00 C ATOM 0 H THR A 16 8.881 -2.106 3.045 1.00 0.00 H new ATOM 0 HA THR A 16 6.908 -3.259 4.774 1.00 0.00 H new ATOM 0 HB THR A 16 7.429 -0.432 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.226 -0.970 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.368 0.331 5.956 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.233 -0.541 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.928 -1.354 6.321 1.00 0.00 H new ATOM 216 N CYS A 17 4.764 -3.280 3.429 1.00 0.00 N ATOM 217 CA CYS A 17 3.501 -3.337 2.681 1.00 0.00 C ATOM 218 C CYS A 17 2.306 -3.073 3.621 1.00 0.00 C ATOM 219 O CYS A 17 2.001 -3.902 4.480 1.00 0.00 O ATOM 220 CB CYS A 17 3.382 -4.712 2.001 1.00 0.00 C ATOM 221 SG CYS A 17 4.793 -5.050 0.907 1.00 0.00 S ATOM 0 H CYS A 17 4.804 -3.950 4.197 1.00 0.00 H new ATOM 0 HA CYS A 17 3.492 -2.562 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.318 -5.489 2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.458 -4.754 1.425 1.00 0.00 H new ATOM 0 HG CYS A 17 5.892 -5.042 1.601 1.00 0.00 H new ATOM 227 N LEU A 18 1.656 -1.910 3.476 1.00 0.00 N ATOM 228 CA LEU A 18 0.563 -1.418 4.334 1.00 0.00 C ATOM 229 C LEU A 18 -0.749 -1.149 3.584 1.00 0.00 C ATOM 230 O LEU A 18 -0.768 -0.724 2.428 1.00 0.00 O ATOM 231 CB LEU A 18 1.030 -0.118 5.032 1.00 0.00 C ATOM 232 CG LEU A 18 1.728 -0.272 6.397 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.821 -1.335 6.432 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.351 1.068 6.796 1.00 0.00 C ATOM 0 H LEU A 18 1.885 -1.257 2.727 1.00 0.00 H new ATOM 0 HA LEU A 18 0.344 -2.208 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.712 0.402 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.161 0.526 5.166 1.00 0.00 H new ATOM 0 HG LEU A 18 0.953 -0.594 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.258 -1.375 7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.392 -2.306 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.595 -1.085 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.847 0.966 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.080 1.369 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.570 1.825 6.867 1.00 0.00 H new ATOM 246 N GLU A 19 -1.849 -1.344 4.311 1.00 0.00 N ATOM 247 CA GLU A 19 -3.241 -1.099 3.913 1.00 0.00 C ATOM 248 C GLU A 19 -3.806 0.219 4.491 1.00 0.00 C ATOM 249 O GLU A 19 -4.989 0.513 4.306 1.00 0.00 O ATOM 250 CB GLU A 19 -4.118 -2.286 4.370 1.00 0.00 C ATOM 251 CG GLU A 19 -4.415 -2.417 5.875 1.00 0.00 C ATOM 252 CD GLU A 19 -3.194 -2.836 6.718 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.327 -1.975 7.003 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.104 -4.023 7.114 1.00 0.00 O ATOM 0 H GLU A 19 -1.789 -1.704 5.264 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.258 -1.004 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.071 -2.221 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.635 -3.206 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.790 -1.463 6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.210 -3.149 6.016 1.00 0.00 H new ATOM 261 N ASN A 20 -2.991 0.990 5.221 1.00 0.00 N ATOM 262 CA ASN A 20 -3.378 2.238 5.896 1.00 0.00 C ATOM 263 C ASN A 20 -2.285 3.326 5.831 1.00 0.00 C ATOM 264 O ASN A 20 -1.094 3.029 5.691 1.00 0.00 O ATOM 265 CB ASN A 20 -3.661 1.926 7.383 1.00 0.00 C ATOM 266 CG ASN A 20 -4.958 1.182 7.641 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.023 1.548 7.160 1.00 0.00 O ATOM 268 ND2 ASN A 20 -4.930 0.131 8.429 1.00 0.00 N ATOM 0 H ASN A 20 -2.009 0.755 5.364 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.258 2.624 5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.835 1.336 7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.679 2.863 7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.792 -0.374 8.636 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.047 -0.180 8.833 1.00 0.00 H new ATOM 275 N GLY A 21 -2.698 4.587 6.020 1.00 0.00 N ATOM 276 CA GLY A 21 -1.818 5.759 6.112 1.00 0.00 C ATOM 277 C GLY A 21 -1.557 6.520 4.804 1.00 0.00 C ATOM 278 O GLY A 21 -2.146 6.235 3.760 1.00 0.00 O ATOM 0 H GLY A 21 -3.685 4.826 6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.249 6.455 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.859 5.435 6.516 1.00 0.00 H new ATOM 282 N SER A 22 -0.653 7.500 4.907 1.00 0.00 N ATOM 283 CA SER A 22 -0.153 8.393 3.844 1.00 0.00 C ATOM 284 C SER A 22 1.325 8.698 4.119 1.00 0.00 C ATOM 285 O SER A 22 1.693 8.994 5.260 1.00 0.00 O ATOM 286 CB SER A 22 -0.932 9.716 3.832 1.00 0.00 C ATOM 287 OG SER A 22 -2.226 9.547 3.270 1.00 0.00 O ATOM 0 H SER A 22 -0.215 7.710 5.804 1.00 0.00 H new ATOM 0 HA SER A 22 -0.280 7.901 2.880 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.022 10.097 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.379 10.461 3.260 1.00 0.00 H new ATOM 0 HG SER A 22 -2.846 10.188 3.677 1.00 0.00 H new ATOM 293 N PHE A 23 2.195 8.608 3.111 1.00 0.00 N ATOM 294 CA PHE A 23 3.645 8.796 3.270 1.00 0.00 C ATOM 295 C PHE A 23 4.110 10.255 3.177 1.00 0.00 C ATOM 296 O PHE A 23 4.698 10.696 2.189 1.00 0.00 O ATOM 297 CB PHE A 23 4.382 7.855 2.311 1.00 0.00 C ATOM 298 CG PHE A 23 5.881 7.675 2.509 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.488 7.797 3.777 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.673 7.306 1.406 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.869 7.575 3.924 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.058 7.107 1.548 1.00 0.00 C ATOM 303 CZ PHE A 23 8.661 7.267 2.807 1.00 0.00 C ATOM 0 H PHE A 23 1.914 8.401 2.152 1.00 0.00 H new ATOM 0 HA PHE A 23 3.905 8.527 4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.914 6.873 2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.219 8.216 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.891 8.062 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.212 7.174 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.323 7.642 4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.656 6.832 0.692 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.730 7.153 2.915 1.00 0.00 H new ATOM 313 N LEU A 24 3.840 11.025 4.233 1.00 0.00 N ATOM 314 CA LEU A 24 4.169 12.452 4.334 1.00 0.00 C ATOM 315 C LEU A 24 5.647 12.805 4.054 1.00 0.00 C ATOM 316 O LEU A 24 5.934 13.917 3.608 1.00 0.00 O ATOM 317 CB LEU A 24 3.692 12.997 5.699 1.00 0.00 C ATOM 318 CG LEU A 24 2.205 13.405 5.797 1.00 0.00 C ATOM 319 CD1 LEU A 24 1.893 14.619 4.924 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.217 12.295 5.445 1.00 0.00 C ATOM 0 H LEU A 24 3.374 10.665 5.066 1.00 0.00 H new ATOM 0 HA LEU A 24 3.630 12.950 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.888 12.238 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.301 13.865 5.952 1.00 0.00 H new ATOM 0 HG LEU A 24 2.069 13.644 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.838 14.875 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.502 15.464 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.116 14.386 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.198 12.671 5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.388 11.968 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.359 11.453 6.123 1.00 0.00 H new ATOM 332 N LEU A 25 6.580 11.868 4.259 1.00 0.00 N ATOM 333 CA LEU A 25 8.009 12.038 3.945 1.00 0.00 C ATOM 334 C LEU A 25 8.301 12.048 2.427 1.00 0.00 C ATOM 335 O LEU A 25 9.329 12.587 2.014 1.00 0.00 O ATOM 336 CB LEU A 25 8.817 10.940 4.663 1.00 0.00 C ATOM 337 CG LEU A 25 9.042 11.201 6.165 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.644 9.958 6.822 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.994 12.372 6.423 1.00 0.00 C ATOM 0 H LEU A 25 6.362 10.953 4.655 1.00 0.00 H new ATOM 0 HA LEU A 25 8.316 13.019 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.300 9.988 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.786 10.839 4.174 1.00 0.00 H new ATOM 0 HG LEU A 25 8.067 11.445 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.801 10.148 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.962 9.116 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.598 9.723 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.117 12.511 7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.963 12.159 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.581 13.280 5.984 1.00 0.00 H new ATOM 351 N ASN A 26 7.395 11.518 1.592 1.00 0.00 N ATOM 352 CA ASN A 26 7.487 11.556 0.127 1.00 0.00 C ATOM 353 C ASN A 26 6.569 12.652 -0.430 1.00 0.00 C ATOM 354 O ASN A 26 6.908 13.286 -1.423 1.00 0.00 O ATOM 355 CB ASN A 26 7.115 10.180 -0.447 1.00 0.00 C ATOM 356 CG ASN A 26 7.351 10.077 -1.952 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.234 10.691 -2.518 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.597 9.289 -2.670 1.00 0.00 N ATOM 0 H ASN A 26 6.558 11.040 1.926 1.00 0.00 H new ATOM 0 HA ASN A 26 8.510 11.790 -0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.698 9.411 0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.066 9.976 -0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.759 9.204 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.847 8.759 -2.227 1.00 0.00 H new ATOM 365 N PHE A 27 5.423 12.906 0.210 1.00 0.00 N ATOM 366 CA PHE A 27 4.518 13.989 -0.195 1.00 0.00 C ATOM 367 C PHE A 27 5.196 15.352 0.008 1.00 0.00 C ATOM 368 O PHE A 27 5.420 15.792 1.139 1.00 0.00 O ATOM 369 CB PHE A 27 3.195 13.932 0.575 1.00 0.00 C ATOM 370 CG PHE A 27 2.162 14.982 0.171 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.673 15.049 -1.150 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.655 15.878 1.133 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.659 15.967 -1.501 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.634 16.783 0.791 1.00 0.00 C ATOM 375 CZ PHE A 27 0.126 16.817 -0.519 1.00 0.00 C ATOM 0 H PHE A 27 5.098 12.373 1.016 1.00 0.00 H new ATOM 0 HA PHE A 27 4.292 13.858 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.757 12.943 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.407 14.044 1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.079 14.390 -1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.052 15.870 2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.296 16.015 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.239 17.455 1.538 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.674 17.497 -0.770 1.00 0.00 H new ATOM 385 N THR A 28 5.501 16.043 -1.085 1.00 0.00 N ATOM 386 CA THR A 28 6.133 17.382 -1.081 1.00 0.00 C ATOM 387 C THR A 28 5.099 18.513 -1.057 1.00 0.00 C ATOM 388 O THR A 28 5.457 19.694 -1.115 1.00 0.00 O ATOM 389 CB THR A 28 7.053 17.570 -2.301 1.00 0.00 C ATOM 390 OG1 THR A 28 6.362 17.295 -3.498 1.00 0.00 O ATOM 391 CG2 THR A 28 8.253 16.631 -2.243 1.00 0.00 C ATOM 0 H THR A 28 5.317 15.691 -2.025 1.00 0.00 H new ATOM 0 HA THR A 28 6.724 17.434 -0.167 1.00 0.00 H new ATOM 0 HB THR A 28 7.388 18.607 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.965 17.422 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.882 16.790 -3.119 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.830 16.833 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.906 15.598 -2.228 1.00 0.00 H new ATOM 399 N GLY A 29 3.813 18.161 -0.986 1.00 0.00 N ATOM 400 CA GLY A 29 2.682 19.076 -1.069 1.00 0.00 C ATOM 401 C GLY A 29 2.154 19.098 -2.509 1.00 0.00 C ATOM 402 O GLY A 29 2.923 18.895 -3.454 1.00 0.00 O ATOM 0 H GLY A 29 3.524 17.190 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.894 18.761 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.986 20.078 -0.766 1.00 0.00 H new ATOM 406 N CYS A 30 0.852 19.340 -2.664 1.00 0.00 N ATOM 407 CA CYS A 30 0.143 19.360 -3.936 1.00 0.00 C ATOM 408 C CYS A 30 0.765 20.289 -4.985 1.00 0.00 C ATOM 409 O CYS A 30 1.591 21.165 -4.691 1.00 0.00 O ATOM 410 CB CYS A 30 -1.330 19.740 -3.675 1.00 0.00 C ATOM 411 SG CYS A 30 -2.447 19.246 -5.048 1.00 0.00 S ATOM 0 H CYS A 30 0.241 19.535 -1.871 1.00 0.00 H new ATOM 0 HA CYS A 30 0.217 18.360 -4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.665 19.266 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.401 20.817 -3.524 1.00 0.00 H new ATOM 416 N ALA A 31 0.286 20.149 -6.209 1.00 0.00 N ATOM 417 CA ALA A 31 0.600 21.035 -7.320 1.00 0.00 C ATOM 418 C ALA A 31 -0.664 21.592 -8.003 1.00 0.00 C ATOM 419 O ALA A 31 -0.550 22.573 -8.748 1.00 0.00 O ATOM 420 CB ALA A 31 1.592 20.396 -8.292 1.00 0.00 C ATOM 0 H ALA A 31 -0.350 19.395 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 31 1.107 21.907 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.801 21.089 -9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.518 20.165 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.165 19.478 -8.696 1.00 0.00 H new ATOM 426 N VAL A 32 -1.865 21.067 -7.712 1.00 0.00 N ATOM 427 CA VAL A 32 -3.122 21.658 -8.193 1.00 0.00 C ATOM 428 C VAL A 32 -3.405 22.948 -7.403 1.00 0.00 C ATOM 429 O VAL A 32 -3.906 23.919 -7.983 1.00 0.00 O ATOM 430 CB VAL A 32 -4.315 20.670 -8.111 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.702 21.320 -8.270 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.245 19.614 -9.222 1.00 0.00 C ATOM 0 H VAL A 32 -1.991 20.230 -7.143 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.006 21.896 -9.250 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.217 20.249 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.473 20.553 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.850 22.058 -7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.765 21.809 -9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.096 18.938 -9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.270 20.106 -10.194 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.319 19.047 -9.127 1.00 0.00 H new ATOM 442 N CYS A 33 -3.057 22.980 -6.109 1.00 0.00 N ATOM 443 CA CYS A 33 -3.263 24.103 -5.189 1.00 0.00 C ATOM 444 C CYS A 33 -2.034 24.533 -4.344 1.00 0.00 C ATOM 445 O CYS A 33 -2.033 25.645 -3.805 1.00 0.00 O ATOM 446 CB CYS A 33 -4.407 23.723 -4.249 1.00 0.00 C ATOM 447 SG CYS A 33 -3.896 22.351 -3.160 1.00 0.00 S ATOM 0 H CYS A 33 -2.604 22.186 -5.656 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.479 24.970 -5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.696 24.586 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.282 23.430 -4.829 1.00 0.00 H new ATOM 452 N SER A 34 -0.997 23.688 -4.238 1.00 0.00 N ATOM 453 CA SER A 34 0.256 23.924 -3.486 1.00 0.00 C ATOM 454 C SER A 34 0.201 23.665 -1.958 1.00 0.00 C ATOM 455 O SER A 34 1.099 24.115 -1.236 1.00 0.00 O ATOM 456 CB SER A 34 0.868 25.299 -3.827 1.00 0.00 C ATOM 457 OG SER A 34 2.276 25.309 -3.642 1.00 0.00 O ATOM 0 H SER A 34 -1.005 22.776 -4.695 1.00 0.00 H new ATOM 0 HA SER A 34 0.928 23.142 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.635 25.554 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.413 26.065 -3.199 1.00 0.00 H new ATOM 0 HG SER A 34 2.494 24.921 -2.769 1.00 0.00 H new ATOM 463 N LYS A 35 -0.805 22.953 -1.419 1.00 0.00 N ATOM 464 CA LYS A 35 -0.915 22.658 0.034 1.00 0.00 C ATOM 465 C LYS A 35 -0.102 21.428 0.466 1.00 0.00 C ATOM 466 O LYS A 35 -0.018 20.446 -0.266 1.00 0.00 O ATOM 467 CB LYS A 35 -2.391 22.429 0.399 1.00 0.00 C ATOM 468 CG LYS A 35 -3.173 23.749 0.506 1.00 0.00 C ATOM 469 CD LYS A 35 -3.681 23.977 1.931 1.00 0.00 C ATOM 470 CE LYS A 35 -4.328 25.364 2.044 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.753 25.661 3.436 1.00 0.00 N ATOM 0 H LYS A 35 -1.568 22.563 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.506 23.520 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.856 21.793 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.451 21.895 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.533 24.579 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.016 23.733 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.405 23.207 2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.855 23.894 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.621 26.123 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.191 25.418 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.638 26.207 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.905 24.770 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.014 26.215 3.914 1.00 0.00 H new ATOM 485 N ARG A 36 0.433 21.439 1.695 1.00 0.00 N ATOM 486 CA ARG A 36 1.153 20.311 2.334 1.00 0.00 C ATOM 487 C ARG A 36 0.460 19.929 3.652 1.00 0.00 C ATOM 488 O ARG A 36 -0.347 20.705 4.155 1.00 0.00 O ATOM 489 CB ARG A 36 2.648 20.629 2.483 1.00 0.00 C ATOM 490 CG ARG A 36 3.450 19.347 2.776 1.00 0.00 C ATOM 491 CD ARG A 36 4.930 19.509 2.456 1.00 0.00 C ATOM 492 NE ARG A 36 5.632 18.218 2.614 1.00 0.00 N ATOM 493 CZ ARG A 36 6.654 17.922 3.393 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.271 18.811 4.119 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.072 16.692 3.452 1.00 0.00 N ATOM 0 H ARG A 36 0.378 22.259 2.299 1.00 0.00 H new ATOM 0 HA ARG A 36 1.107 19.430 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.019 21.095 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.794 21.347 3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.334 19.080 3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.041 18.523 2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.051 19.874 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.373 20.255 3.116 1.00 0.00 H new ATOM 0 HE ARG A 36 5.278 17.451 2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.968 19.785 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.057 18.533 4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.610 15.969 2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.862 16.450 4.051 1.00 0.00 H new ATOM 509 N ASP A 37 0.730 18.730 4.184 1.00 0.00 N ATOM 510 CA ASP A 37 0.097 18.145 5.390 1.00 0.00 C ATOM 511 C ASP A 37 -1.450 18.122 5.365 1.00 0.00 C ATOM 512 O ASP A 37 -2.136 18.108 6.388 1.00 0.00 O ATOM 513 CB ASP A 37 0.722 18.674 6.688 1.00 0.00 C ATOM 514 CG ASP A 37 0.517 20.169 7.003 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.510 20.537 7.624 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.441 20.973 6.719 1.00 0.00 O ATOM 0 H ASP A 37 1.426 18.107 3.773 1.00 0.00 H new ATOM 0 HA ASP A 37 0.340 17.083 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.320 18.094 7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.794 18.479 6.652 1.00 0.00 H new ATOM 521 N PHE A 38 -1.979 18.098 4.144 1.00 0.00 N ATOM 522 CA PHE A 38 -3.387 18.127 3.757 1.00 0.00 C ATOM 523 C PHE A 38 -3.756 16.923 2.880 1.00 0.00 C ATOM 524 O PHE A 38 -3.539 16.928 1.669 1.00 0.00 O ATOM 525 CB PHE A 38 -3.709 19.454 3.046 1.00 0.00 C ATOM 526 CG PHE A 38 -4.172 20.593 3.943 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.431 21.014 5.063 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.391 21.234 3.651 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.888 22.079 5.859 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.847 22.306 4.438 1.00 0.00 C ATOM 531 CZ PHE A 38 -5.095 22.729 5.546 1.00 0.00 C ATOM 0 H PHE A 38 -1.375 18.054 3.323 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.992 18.059 4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.820 19.780 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.482 19.266 2.301 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.506 20.516 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.983 20.898 2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.310 22.399 6.714 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.773 22.803 4.191 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.442 23.550 6.155 1.00 0.00 H new ATOM 541 N MET A 39 -4.360 15.904 3.491 1.00 0.00 N ATOM 542 CA MET A 39 -4.862 14.715 2.782 1.00 0.00 C ATOM 543 C MET A 39 -5.914 13.897 3.545 1.00 0.00 C ATOM 544 O MET A 39 -5.913 13.815 4.775 1.00 0.00 O ATOM 545 CB MET A 39 -3.740 13.775 2.291 1.00 0.00 C ATOM 546 CG MET A 39 -2.640 13.473 3.323 1.00 0.00 C ATOM 547 SD MET A 39 -0.973 14.022 2.863 1.00 0.00 S ATOM 548 CE MET A 39 -0.681 12.998 1.394 1.00 0.00 C ATOM 0 H MET A 39 -4.518 15.875 4.498 1.00 0.00 H new ATOM 0 HA MET A 39 -5.363 15.152 1.918 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.189 12.833 1.976 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.277 14.218 1.409 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.912 13.944 4.268 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.615 12.398 3.499 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.391 12.925 1.209 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.090 12.001 1.558 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.168 13.452 0.531 1.00 0.00 H new ATOM 558 N LEU A 40 -6.778 13.265 2.750 1.00 0.00 N ATOM 559 CA LEU A 40 -7.899 12.372 3.055 1.00 0.00 C ATOM 560 C LEU A 40 -7.744 11.070 2.244 1.00 0.00 C ATOM 561 O LEU A 40 -6.985 11.016 1.274 1.00 0.00 O ATOM 562 CB LEU A 40 -9.214 13.086 2.646 1.00 0.00 C ATOM 563 CG LEU A 40 -9.939 13.964 3.683 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.948 13.134 4.483 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.038 14.648 4.695 1.00 0.00 C ATOM 0 H LEU A 40 -6.697 13.384 1.740 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.918 12.132 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.994 13.712 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.915 12.320 2.315 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.414 14.738 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.449 13.773 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.687 12.707 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.427 12.331 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.644 15.241 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.486 13.895 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.335 15.299 4.175 1.00 0.00 H new ATOM 577 N ILE A 41 -8.509 10.039 2.607 1.00 0.00 N ATOM 578 CA ILE A 41 -8.586 8.742 1.922 1.00 0.00 C ATOM 579 C ILE A 41 -10.071 8.458 1.680 1.00 0.00 C ATOM 580 O ILE A 41 -10.898 8.640 2.578 1.00 0.00 O ATOM 581 CB ILE A 41 -7.922 7.633 2.774 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.390 7.841 2.829 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.264 6.223 2.238 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.676 6.956 3.859 1.00 0.00 C ATOM 0 H ILE A 41 -9.120 10.085 3.422 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.047 8.763 0.975 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.322 7.704 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.971 7.643 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.184 8.886 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.781 5.470 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.344 6.076 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.909 6.128 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.606 7.162 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.065 7.170 4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.849 5.907 3.620 1.00 0.00 H new ATOM 596 N THR A 42 -10.412 8.007 0.474 1.00 0.00 N ATOM 597 CA THR A 42 -11.794 7.667 0.098 1.00 0.00 C ATOM 598 C THR A 42 -11.843 6.522 -0.916 1.00 0.00 C ATOM 599 O THR A 42 -10.805 6.092 -1.424 1.00 0.00 O ATOM 600 CB THR A 42 -12.553 8.917 -0.397 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.921 8.755 -0.087 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.466 9.170 -1.905 1.00 0.00 C ATOM 0 H THR A 42 -9.738 7.864 -0.278 1.00 0.00 H new ATOM 0 HA THR A 42 -12.304 7.308 0.992 1.00 0.00 H new ATOM 0 HB THR A 42 -12.083 9.766 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.421 9.541 -0.392 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.030 10.069 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.423 9.304 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.884 8.318 -2.442 1.00 0.00 H new ATOM 610 N ASN A 43 -13.049 6.029 -1.217 1.00 0.00 N ATOM 611 CA ASN A 43 -13.366 4.951 -2.173 1.00 0.00 C ATOM 612 C ASN A 43 -12.687 3.591 -1.875 1.00 0.00 C ATOM 613 O ASN A 43 -12.658 2.694 -2.722 1.00 0.00 O ATOM 614 CB ASN A 43 -13.249 5.496 -3.623 1.00 0.00 C ATOM 615 CG ASN A 43 -12.095 4.987 -4.477 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.283 4.421 -5.547 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.873 5.195 -4.053 1.00 0.00 N ATOM 0 H ASN A 43 -13.890 6.395 -0.771 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.408 4.660 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.179 5.267 -4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.173 6.582 -3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.079 4.886 -4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.716 5.666 -3.162 1.00 0.00 H new ATOM 624 N LYS A 44 -12.153 3.442 -0.654 1.00 0.00 N ATOM 625 CA LYS A 44 -11.442 2.265 -0.146 1.00 0.00 C ATOM 626 C LYS A 44 -12.223 0.966 -0.338 1.00 0.00 C ATOM 627 O LYS A 44 -13.253 0.739 0.301 1.00 0.00 O ATOM 628 CB LYS A 44 -11.078 2.485 1.327 1.00 0.00 C ATOM 629 CG LYS A 44 -10.009 1.487 1.800 1.00 0.00 C ATOM 630 CD LYS A 44 -9.494 1.804 3.207 1.00 0.00 C ATOM 631 CE LYS A 44 -8.220 0.994 3.471 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.640 1.311 4.796 1.00 0.00 N ATOM 0 H LYS A 44 -12.210 4.184 0.044 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.531 2.149 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.713 3.503 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.971 2.381 1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.426 0.480 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.173 1.495 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.287 2.870 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.254 1.561 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.447 -0.071 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.487 1.203 2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.627 1.075 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.760 2.325 4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.125 0.756 5.529 1.00 0.00 H new ATOM 646 N SER A 45 -11.705 0.127 -1.222 1.00 0.00 N ATOM 647 CA SER A 45 -12.244 -1.185 -1.559 1.00 0.00 C ATOM 648 C SER A 45 -11.388 -2.319 -0.999 1.00 0.00 C ATOM 649 O SER A 45 -10.185 -2.169 -0.766 1.00 0.00 O ATOM 650 CB SER A 45 -12.363 -1.304 -3.083 1.00 0.00 C ATOM 651 OG SER A 45 -13.356 -0.416 -3.575 1.00 0.00 O ATOM 0 H SER A 45 -10.860 0.350 -1.748 1.00 0.00 H new ATOM 0 HA SER A 45 -13.229 -1.277 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.403 -1.079 -3.547 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.616 -2.329 -3.355 1.00 0.00 H new ATOM 0 HG SER A 45 -13.143 0.499 -3.298 1.00 0.00 H new ATOM 657 N LEU A 46 -12.017 -3.480 -0.815 1.00 0.00 N ATOM 658 CA LEU A 46 -11.406 -4.711 -0.320 1.00 0.00 C ATOM 659 C LEU A 46 -11.957 -5.919 -1.091 1.00 0.00 C ATOM 660 O LEU A 46 -13.157 -5.999 -1.368 1.00 0.00 O ATOM 661 CB LEU A 46 -11.599 -4.829 1.204 1.00 0.00 C ATOM 662 CG LEU A 46 -11.164 -6.195 1.795 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.554 -6.012 3.185 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.327 -7.183 1.942 1.00 0.00 C ATOM 0 H LEU A 46 -13.011 -3.592 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.331 -4.686 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.032 -4.037 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.650 -4.662 1.440 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.439 -6.598 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.255 -6.982 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.681 -5.364 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.291 -5.559 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.958 -8.119 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.081 -6.761 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.770 -7.372 0.964 1.00 0.00 H new ATOM 676 N LYS A 47 -11.062 -6.843 -1.441 1.00 0.00 N ATOM 677 CA LYS A 47 -11.328 -8.070 -2.195 1.00 0.00 C ATOM 678 C LYS A 47 -10.690 -9.275 -1.521 1.00 0.00 C ATOM 679 O LYS A 47 -9.619 -9.151 -0.936 1.00 0.00 O ATOM 680 CB LYS A 47 -10.776 -7.942 -3.619 1.00 0.00 C ATOM 681 CG LYS A 47 -11.697 -8.570 -4.666 1.00 0.00 C ATOM 682 CD LYS A 47 -10.998 -8.695 -6.025 1.00 0.00 C ATOM 683 CE LYS A 47 -11.953 -9.305 -7.058 1.00 0.00 C ATOM 684 NZ LYS A 47 -11.227 -9.720 -8.284 1.00 0.00 N ATOM 0 H LYS A 47 -10.077 -6.751 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.408 -8.215 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.630 -6.888 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.797 -8.418 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.016 -9.556 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.596 -7.963 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.665 -7.714 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.109 -9.318 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.460 -10.167 -6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.724 -8.579 -7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.908 -10.066 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.708 -8.907 -8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.555 -10.479 -8.050 1.00 0.00 H new ATOM 698 N GLU A 48 -11.320 -10.437 -1.614 1.00 0.00 N ATOM 699 CA GLU A 48 -10.729 -11.676 -1.085 1.00 0.00 C ATOM 700 C GLU A 48 -10.957 -12.847 -2.059 1.00 0.00 C ATOM 701 O GLU A 48 -12.095 -13.258 -2.298 1.00 0.00 O ATOM 702 CB GLU A 48 -11.349 -11.999 0.286 1.00 0.00 C ATOM 703 CG GLU A 48 -11.132 -10.932 1.366 1.00 0.00 C ATOM 704 CD GLU A 48 -11.749 -11.393 2.702 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.092 -12.154 3.453 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.905 -11.010 3.007 1.00 0.00 O ATOM 0 H GLU A 48 -12.236 -10.557 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.655 -11.532 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.421 -12.150 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.935 -12.943 0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.066 -10.746 1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.584 -9.991 1.054 1.00 0.00 H new ATOM 713 N GLU A 49 -9.872 -13.404 -2.608 1.00 0.00 N ATOM 714 CA GLU A 49 -9.871 -14.597 -3.470 1.00 0.00 C ATOM 715 C GLU A 49 -9.059 -15.765 -2.889 1.00 0.00 C ATOM 716 O GLU A 49 -7.846 -15.655 -2.752 1.00 0.00 O ATOM 717 CB GLU A 49 -9.390 -14.266 -4.890 1.00 0.00 C ATOM 718 CG GLU A 49 -10.364 -13.341 -5.637 1.00 0.00 C ATOM 719 CD GLU A 49 -9.929 -13.097 -7.096 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.838 -14.070 -7.886 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.726 -11.919 -7.480 1.00 0.00 O ATOM 0 H GLU A 49 -8.936 -13.025 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.909 -14.925 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.410 -13.791 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.266 -15.191 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.361 -13.780 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.430 -12.387 -5.114 1.00 0.00 H new ATOM 728 N ASP A 50 -9.674 -16.926 -2.671 1.00 0.00 N ATOM 729 CA ASP A 50 -9.024 -18.199 -2.275 1.00 0.00 C ATOM 730 C ASP A 50 -7.953 -18.163 -1.144 1.00 0.00 C ATOM 731 O ASP A 50 -7.107 -19.056 -1.040 1.00 0.00 O ATOM 732 CB ASP A 50 -8.468 -18.825 -3.570 1.00 0.00 C ATOM 733 CG ASP A 50 -8.197 -20.338 -3.464 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.073 -21.084 -2.961 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.133 -20.801 -3.944 1.00 0.00 O ATOM 0 H ASP A 50 -10.685 -17.022 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.795 -18.800 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.175 -18.648 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.542 -18.318 -3.839 1.00 0.00 H new ATOM 740 N GLY A 51 -7.964 -17.126 -0.305 1.00 0.00 N ATOM 741 CA GLY A 51 -7.003 -16.877 0.788 1.00 0.00 C ATOM 742 C GLY A 51 -6.221 -15.566 0.621 1.00 0.00 C ATOM 743 O GLY A 51 -5.723 -15.014 1.603 1.00 0.00 O ATOM 0 H GLY A 51 -8.675 -16.397 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.540 -16.854 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.299 -17.708 0.840 1.00 0.00 H new ATOM 747 N GLU A 52 -6.141 -15.040 -0.603 1.00 0.00 N ATOM 748 CA GLU A 52 -5.537 -13.745 -0.923 1.00 0.00 C ATOM 749 C GLU A 52 -6.490 -12.627 -0.481 1.00 0.00 C ATOM 750 O GLU A 52 -7.692 -12.697 -0.730 1.00 0.00 O ATOM 751 CB GLU A 52 -5.247 -13.658 -2.440 1.00 0.00 C ATOM 752 CG GLU A 52 -4.681 -12.311 -2.935 1.00 0.00 C ATOM 753 CD GLU A 52 -4.499 -12.238 -4.472 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.948 -13.144 -5.219 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.914 -11.239 -4.958 1.00 0.00 O ATOM 0 H GLU A 52 -6.507 -15.519 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.591 -13.634 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.542 -14.446 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.171 -13.864 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.348 -11.509 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.718 -12.133 -2.455 1.00 0.00 H new ATOM 762 N GLU A 53 -5.953 -11.575 0.131 1.00 0.00 N ATOM 763 CA GLU A 53 -6.674 -10.379 0.561 1.00 0.00 C ATOM 764 C GLU A 53 -6.111 -9.171 -0.190 1.00 0.00 C ATOM 765 O GLU A 53 -4.897 -8.969 -0.225 1.00 0.00 O ATOM 766 CB GLU A 53 -6.545 -10.169 2.080 1.00 0.00 C ATOM 767 CG GLU A 53 -7.149 -11.312 2.908 1.00 0.00 C ATOM 768 CD GLU A 53 -7.086 -11.004 4.418 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.777 -10.066 4.885 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.350 -11.703 5.157 1.00 0.00 O ATOM 0 H GLU A 53 -4.958 -11.530 0.351 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.733 -10.500 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.491 -10.063 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.035 -9.234 2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.185 -11.471 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.612 -12.237 2.701 1.00 0.00 H new ATOM 777 N ILE A 54 -6.968 -8.354 -0.798 1.00 0.00 N ATOM 778 CA ILE A 54 -6.568 -7.192 -1.585 1.00 0.00 C ATOM 779 C ILE A 54 -7.249 -5.944 -1.030 1.00 0.00 C ATOM 780 O ILE A 54 -8.430 -5.985 -0.692 1.00 0.00 O ATOM 781 CB ILE A 54 -6.909 -7.390 -3.081 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.337 -8.703 -3.674 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.329 -6.203 -3.853 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.330 -9.876 -3.667 1.00 0.00 C ATOM 0 H ILE A 54 -7.979 -8.484 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.487 -7.070 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.993 -7.453 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.017 -8.517 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.449 -8.988 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.554 -6.314 -4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.771 -5.278 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.249 -6.170 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.855 -10.757 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.632 -10.091 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.208 -9.613 -4.256 1.00 0.00 H new ATOM 796 N VAL A 55 -6.518 -4.832 -0.968 1.00 0.00 N ATOM 797 CA VAL A 55 -7.014 -3.529 -0.518 1.00 0.00 C ATOM 798 C VAL A 55 -6.579 -2.463 -1.516 1.00 0.00 C ATOM 799 O VAL A 55 -5.384 -2.233 -1.708 1.00 0.00 O ATOM 800 CB VAL A 55 -6.451 -3.189 0.876 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.025 -1.867 1.389 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.753 -4.294 1.896 1.00 0.00 C ATOM 0 H VAL A 55 -5.534 -4.811 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.102 -3.563 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.370 -3.100 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.613 -1.649 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.762 -1.064 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.110 -1.944 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.340 -4.017 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.832 -4.423 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.302 -5.229 1.564 1.00 0.00 H new ATOM 812 N THR A 56 -7.542 -1.796 -2.147 1.00 0.00 N ATOM 813 CA THR A 56 -7.282 -0.703 -3.099 1.00 0.00 C ATOM 814 C THR A 56 -7.959 0.605 -2.675 1.00 0.00 C ATOM 815 O THR A 56 -9.125 0.599 -2.280 1.00 0.00 O ATOM 816 CB THR A 56 -7.593 -1.121 -4.545 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.971 -1.361 -4.734 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.851 -2.411 -4.924 1.00 0.00 C ATOM 0 H THR A 56 -8.534 -1.995 -2.016 1.00 0.00 H new ATOM 0 HA THR A 56 -6.213 -0.494 -3.076 1.00 0.00 H new ATOM 0 HB THR A 56 -7.267 -0.293 -5.174 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.133 -1.623 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.092 -2.680 -5.952 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.776 -2.253 -4.832 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.158 -3.217 -4.257 1.00 0.00 H new ATOM 826 N TYR A 57 -7.257 1.738 -2.749 1.00 0.00 N ATOM 827 CA TYR A 57 -7.804 3.062 -2.411 1.00 0.00 C ATOM 828 C TYR A 57 -7.107 4.218 -3.145 1.00 0.00 C ATOM 829 O TYR A 57 -6.268 4.013 -4.027 1.00 0.00 O ATOM 830 CB TYR A 57 -7.831 3.269 -0.889 1.00 0.00 C ATOM 831 CG TYR A 57 -6.523 3.284 -0.113 1.00 0.00 C ATOM 832 CD1 TYR A 57 -6.035 2.085 0.443 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.871 4.499 0.174 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.930 2.106 1.316 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.763 4.524 1.043 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.301 3.329 1.636 1.00 0.00 C ATOM 837 OH TYR A 57 -3.286 3.355 2.543 1.00 0.00 O ATOM 0 H TYR A 57 -6.282 1.767 -3.048 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.832 3.078 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.336 4.216 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.455 2.483 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.510 1.146 0.199 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.223 5.416 -0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.563 1.184 1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.266 5.459 1.256 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.129 4.278 2.832 1.00 0.00 H new ATOM 847 N ASP A 58 -7.427 5.450 -2.749 1.00 0.00 N ATOM 848 CA ASP A 58 -6.905 6.681 -3.333 1.00 0.00 C ATOM 849 C ASP A 58 -6.665 7.704 -2.203 1.00 0.00 C ATOM 850 O ASP A 58 -7.307 7.646 -1.149 1.00 0.00 O ATOM 851 CB ASP A 58 -7.991 7.278 -4.269 1.00 0.00 C ATOM 852 CG ASP A 58 -8.280 6.527 -5.587 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.559 5.305 -5.580 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.327 7.194 -6.648 1.00 0.00 O ATOM 0 H ASP A 58 -8.081 5.622 -1.985 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.983 6.473 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.922 7.343 -3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.698 8.298 -4.519 1.00 0.00 H new ATOM 859 N HIS A 59 -5.799 8.686 -2.457 1.00 0.00 N ATOM 860 CA HIS A 59 -5.489 9.797 -1.547 1.00 0.00 C ATOM 861 C HIS A 59 -6.018 11.089 -2.182 1.00 0.00 C ATOM 862 O HIS A 59 -5.929 11.255 -3.398 1.00 0.00 O ATOM 863 CB HIS A 59 -3.980 9.916 -1.274 1.00 0.00 C ATOM 864 CG HIS A 59 -3.292 8.668 -0.758 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.902 8.424 0.544 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.728 7.680 -1.528 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.111 7.336 0.547 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.972 6.845 -0.694 1.00 0.00 N ATOM 0 H HIS A 59 -5.275 8.734 -3.331 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.967 9.613 -0.585 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.488 10.221 -2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.825 10.716 -0.551 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.168 8.973 1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.847 7.566 -2.595 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.650 6.915 1.428 1.00 0.00 H new ATOM 876 N LEU A 60 -6.574 12.004 -1.389 1.00 0.00 N ATOM 877 CA LEU A 60 -7.210 13.237 -1.861 1.00 0.00 C ATOM 878 C LEU A 60 -6.736 14.438 -1.054 1.00 0.00 C ATOM 879 O LEU A 60 -6.720 14.378 0.173 1.00 0.00 O ATOM 880 CB LEU A 60 -8.746 13.156 -1.738 1.00 0.00 C ATOM 881 CG LEU A 60 -9.453 12.242 -2.752 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.482 10.777 -2.317 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.917 12.661 -2.899 1.00 0.00 C ATOM 0 H LEU A 60 -6.596 11.907 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.929 13.355 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.993 12.812 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.153 14.162 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.889 12.340 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.994 10.183 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.462 10.412 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.011 10.690 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.412 12.009 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.417 12.581 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.967 13.692 -3.249 1.00 0.00 H new ATOM 895 N CYS A 61 -6.399 15.528 -1.733 1.00 0.00 N ATOM 896 CA CYS A 61 -5.976 16.782 -1.119 1.00 0.00 C ATOM 897 C CYS A 61 -7.084 17.339 -0.206 1.00 0.00 C ATOM 898 O CYS A 61 -8.216 17.552 -0.641 1.00 0.00 O ATOM 899 CB CYS A 61 -5.611 17.718 -2.282 1.00 0.00 C ATOM 900 SG CYS A 61 -4.634 19.158 -1.754 1.00 0.00 S ATOM 0 H CYS A 61 -6.413 15.566 -2.752 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.113 16.658 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.048 17.158 -3.029 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.526 18.063 -2.764 1.00 0.00 H new ATOM 905 N LYS A 62 -6.799 17.589 1.077 1.00 0.00 N ATOM 906 CA LYS A 62 -7.791 18.157 2.017 1.00 0.00 C ATOM 907 C LYS A 62 -8.240 19.576 1.592 1.00 0.00 C ATOM 908 O LYS A 62 -9.239 20.084 2.107 1.00 0.00 O ATOM 909 CB LYS A 62 -7.209 18.094 3.449 1.00 0.00 C ATOM 910 CG LYS A 62 -7.906 18.911 4.552 1.00 0.00 C ATOM 911 CD LYS A 62 -9.345 18.459 4.835 1.00 0.00 C ATOM 912 CE LYS A 62 -10.101 19.435 5.747 1.00 0.00 C ATOM 913 NZ LYS A 62 -10.382 20.732 5.071 1.00 0.00 N ATOM 0 H LYS A 62 -5.887 17.408 1.496 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.704 17.563 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.203 17.050 3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.169 18.418 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.324 18.837 5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.914 19.962 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.882 18.358 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.328 17.473 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.040 18.981 6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.515 19.616 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.876 21.496 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.062 20.685 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.404 20.922 5.095 1.00 0.00 H new ATOM 927 N ASN A 63 -7.539 20.212 0.647 1.00 0.00 N ATOM 928 CA ASN A 63 -7.842 21.548 0.151 1.00 0.00 C ATOM 929 C ASN A 63 -8.691 21.497 -1.132 1.00 0.00 C ATOM 930 O ASN A 63 -9.865 21.881 -1.097 1.00 0.00 O ATOM 931 CB ASN A 63 -6.529 22.311 -0.053 1.00 0.00 C ATOM 932 CG ASN A 63 -6.785 23.694 -0.622 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.491 24.506 -0.040 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.225 24.017 -1.759 1.00 0.00 N ATOM 0 H ASN A 63 -6.724 19.795 0.197 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.445 22.079 0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.003 22.397 0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.880 21.751 -0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.378 24.943 -2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.636 23.342 -2.247 1.00 0.00 H new ATOM 941 N CYS A 64 -8.124 21.024 -2.247 1.00 0.00 N ATOM 942 CA CYS A 64 -8.793 20.959 -3.549 1.00 0.00 C ATOM 943 C CYS A 64 -9.522 19.627 -3.844 1.00 0.00 C ATOM 944 O CYS A 64 -10.230 19.523 -4.853 1.00 0.00 O ATOM 945 CB CYS A 64 -7.779 21.348 -4.649 1.00 0.00 C ATOM 946 SG CYS A 64 -6.260 20.327 -4.690 1.00 0.00 S ATOM 0 H CYS A 64 -7.168 20.669 -2.269 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.611 21.680 -3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.272 21.279 -5.619 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.495 22.391 -4.509 1.00 0.00 H new ATOM 951 N HIS A 65 -9.383 18.611 -2.978 1.00 0.00 N ATOM 952 CA HIS A 65 -9.959 17.252 -3.118 1.00 0.00 C ATOM 953 C HIS A 65 -9.635 16.542 -4.438 1.00 0.00 C ATOM 954 O HIS A 65 -10.272 15.556 -4.812 1.00 0.00 O ATOM 955 CB HIS A 65 -11.428 17.205 -2.678 1.00 0.00 C ATOM 956 CG HIS A 65 -11.591 17.550 -1.216 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.945 18.787 -0.705 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.355 16.711 -0.157 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.943 18.698 0.640 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.597 17.442 0.994 1.00 0.00 N ATOM 0 H HIS A 65 -8.842 18.713 -2.119 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.427 16.623 -2.405 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.010 17.901 -3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.830 16.209 -2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.041 15.679 -0.210 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.180 19.500 1.323 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.526 17.090 1.949 1.00 0.00 H new ATOM 969 N HIS A 66 -8.580 16.996 -5.104 1.00 0.00 N ATOM 970 CA HIS A 66 -7.978 16.344 -6.257 1.00 0.00 C ATOM 971 C HIS A 66 -7.331 15.033 -5.768 1.00 0.00 C ATOM 972 O HIS A 66 -6.819 14.978 -4.645 1.00 0.00 O ATOM 973 CB HIS A 66 -6.939 17.300 -6.829 1.00 0.00 C ATOM 974 CG HIS A 66 -5.617 16.692 -7.167 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.253 16.125 -8.368 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.486 16.881 -6.422 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.910 16.086 -8.388 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.409 16.579 -7.241 1.00 0.00 N ATOM 0 H HIS A 66 -8.104 17.860 -4.845 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.705 16.106 -7.033 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.349 17.757 -7.730 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.776 18.103 -6.110 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.882 15.798 -9.101 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.440 17.204 -5.392 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.317 15.712 -9.209 1.00 0.00 H new ATOM 986 N VAL A 67 -7.324 13.984 -6.595 1.00 0.00 N ATOM 987 CA VAL A 67 -6.685 12.715 -6.236 1.00 0.00 C ATOM 988 C VAL A 67 -5.161 12.847 -6.345 1.00 0.00 C ATOM 989 O VAL A 67 -4.603 12.854 -7.444 1.00 0.00 O ATOM 990 CB VAL A 67 -7.222 11.548 -7.081 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.514 10.243 -6.712 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.726 11.343 -6.846 1.00 0.00 C ATOM 0 H VAL A 67 -7.755 13.989 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.934 12.484 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.037 11.800 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.909 9.430 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.444 10.346 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.684 10.022 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.080 10.512 -7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.903 11.122 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.264 12.250 -7.122 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.501 12.934 -5.188 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.043 13.051 -5.046 1.00 0.00 C ATOM 1004 C ILE A 68 -2.329 11.824 -5.631 1.00 0.00 C ATOM 1005 O ILE A 68 -1.330 11.946 -6.345 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.696 13.240 -3.550 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.102 14.679 -3.166 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.210 12.964 -3.223 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.979 14.988 -1.678 1.00 0.00 C ATOM 0 H ILE A 68 -4.983 12.925 -4.289 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.696 13.919 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.246 12.506 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.481 15.380 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.133 14.849 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.038 13.116 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.964 11.936 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.579 13.646 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.283 16.018 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.621 14.313 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.944 14.853 -1.363 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.841 10.630 -5.309 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.256 9.347 -5.692 1.00 0.00 C ATOM 1023 C ALA A 69 -3.250 8.177 -5.539 1.00 0.00 C ATOM 1024 O ALA A 69 -4.281 8.305 -4.873 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.037 9.142 -4.772 1.00 0.00 C ATOM 0 H ALA A 69 -3.695 10.531 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.977 9.362 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.555 8.194 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.328 9.957 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.364 9.130 -3.732 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.903 7.013 -6.106 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.638 5.743 -5.984 1.00 0.00 C ATOM 1033 C ARG A 70 -2.765 4.731 -5.243 1.00 0.00 C ATOM 1034 O ARG A 70 -1.566 4.660 -5.513 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.005 5.154 -7.355 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.353 5.626 -7.899 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.314 7.021 -8.527 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.683 7.440 -8.865 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.144 8.003 -9.961 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.391 8.269 -10.992 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.406 8.312 -10.027 1.00 0.00 N ATOM 0 H ARG A 70 -2.069 6.925 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.561 5.946 -5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.225 5.415 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.017 4.067 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.703 4.912 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.082 5.623 -7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.864 7.732 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.692 7.012 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.380 7.268 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.397 8.039 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.796 8.707 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.021 8.117 -9.237 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.781 8.749 -10.869 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.395 3.945 -4.372 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.771 2.937 -3.508 1.00 0.00 C ATOM 1057 C HIS A 71 -3.354 1.544 -3.723 1.00 0.00 C ATOM 1058 O HIS A 71 -4.571 1.363 -3.817 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.036 3.322 -2.044 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.121 2.672 -1.024 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.135 3.375 -0.331 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.079 1.353 -0.633 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.520 2.480 0.454 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.084 1.265 0.317 1.00 0.00 N ATOM 0 H HIS A 71 -4.405 3.994 -4.241 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.708 2.911 -3.749 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.947 4.404 -1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.066 3.064 -1.799 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.701 0.549 -0.997 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.312 2.702 1.106 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.820 0.423 0.829 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.493 0.536 -3.735 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.869 -0.866 -3.821 1.00 0.00 C ATOM 1074 C GLU A 72 -1.965 -1.682 -2.891 1.00 0.00 C ATOM 1075 O GLU A 72 -0.741 -1.574 -2.934 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.772 -1.343 -5.281 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.836 -2.870 -5.399 1.00 0.00 C ATOM 1078 CD GLU A 72 -3.031 -3.305 -6.864 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.194 -3.399 -7.324 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -2.023 -3.558 -7.569 1.00 0.00 O ATOM 0 H GLU A 72 -1.484 0.677 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.902 -1.004 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.583 -0.902 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.839 -0.986 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.918 -3.307 -5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.657 -3.251 -4.791 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.571 -2.534 -2.074 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.893 -3.491 -1.211 1.00 0.00 C ATOM 1089 C TYR A 73 -2.554 -4.846 -1.451 1.00 0.00 C ATOM 1090 O TYR A 73 -3.775 -4.971 -1.359 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.991 -3.067 0.258 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.784 -4.199 1.255 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.542 -4.854 1.390 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.879 -4.631 2.024 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.388 -5.906 2.311 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.725 -5.664 2.965 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.472 -6.293 3.128 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.307 -7.262 4.068 1.00 0.00 O ATOM 0 H TYR A 73 -3.587 -2.579 -1.992 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.829 -3.542 -1.442 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.250 -2.291 0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.971 -2.622 0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.296 -4.546 0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.845 -4.166 1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.560 -6.418 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.567 -5.977 3.564 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.556 -7.838 3.815 1.00 0.00 H new ATOM 1108 N THR A 74 -1.766 -5.863 -1.771 1.00 0.00 N ATOM 1109 CA THR A 74 -2.269 -7.220 -2.016 1.00 0.00 C ATOM 1110 C THR A 74 -1.460 -8.205 -1.168 1.00 0.00 C ATOM 1111 O THR A 74 -0.236 -8.111 -1.050 1.00 0.00 O ATOM 1112 CB THR A 74 -2.270 -7.611 -3.513 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.063 -8.220 -3.911 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.477 -6.435 -4.482 1.00 0.00 C ATOM 0 H THR A 74 -0.755 -5.776 -1.870 1.00 0.00 H new ATOM 0 HA THR A 74 -3.317 -7.254 -1.719 1.00 0.00 H new ATOM 0 HB THR A 74 -3.115 -8.296 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.329 -7.575 -3.830 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.463 -6.802 -5.508 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.437 -5.961 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.677 -5.707 -4.347 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.149 -9.143 -0.530 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.547 -10.154 0.342 1.00 0.00 C ATOM 1124 C PHE A 75 -2.025 -11.557 -0.070 1.00 0.00 C ATOM 1125 O PHE A 75 -3.225 -11.781 -0.136 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.922 -9.843 1.794 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.707 -11.021 2.711 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.400 -11.344 3.095 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.775 -11.863 3.081 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.152 -12.488 3.854 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.522 -13.030 3.823 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.206 -13.346 4.202 1.00 0.00 C ATOM 0 H PHE A 75 -3.163 -9.227 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.461 -10.133 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.329 -8.999 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.968 -9.538 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.420 -10.705 2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.786 -11.612 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.854 -12.714 4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.337 -13.682 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.006 -14.248 4.761 1.00 0.00 H new ATOM 1142 N SER A 76 -1.122 -12.506 -0.318 1.00 0.00 N ATOM 1143 CA SER A 76 -1.397 -13.880 -0.791 1.00 0.00 C ATOM 1144 C SER A 76 -0.752 -14.966 0.071 1.00 0.00 C ATOM 1145 O SER A 76 0.371 -14.807 0.528 1.00 0.00 O ATOM 1146 CB SER A 76 -0.864 -14.066 -2.222 1.00 0.00 C ATOM 1147 OG SER A 76 -1.832 -13.736 -3.196 1.00 0.00 O ATOM 0 H SER A 76 -0.124 -12.337 -0.190 1.00 0.00 H new ATOM 0 HA SER A 76 -2.480 -13.991 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.019 -13.443 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.550 -15.101 -2.360 1.00 0.00 H new ATOM 0 HG SER A 76 -1.453 -13.866 -4.091 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.427 -16.098 0.277 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.854 -17.260 0.995 1.00 0.00 C ATOM 1155 C ILE A 77 -0.608 -18.409 0.011 1.00 0.00 C ATOM 1156 O ILE A 77 -1.544 -18.877 -0.644 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.730 -17.701 2.186 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.975 -16.490 3.108 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.066 -18.895 2.906 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.426 -16.814 4.535 1.00 0.00 C ATOM 0 H ILE A 77 -2.384 -16.245 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 77 0.102 -16.958 1.422 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.706 -18.048 1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.055 -15.908 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.729 -15.853 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.687 -19.204 3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.959 -19.726 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.083 -18.599 3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.567 -15.887 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.366 -17.365 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.666 -17.421 5.028 1.00 0.00 H new ATOM 1172 N MET A 78 0.645 -18.869 -0.082 1.00 0.00 N ATOM 1173 CA MET A 78 1.060 -19.997 -0.926 1.00 0.00 C ATOM 1174 C MET A 78 1.669 -21.158 -0.126 1.00 0.00 C ATOM 1175 O MET A 78 2.746 -21.008 0.439 1.00 0.00 O ATOM 1176 CB MET A 78 1.997 -19.533 -2.059 1.00 0.00 C ATOM 1177 CG MET A 78 3.166 -18.633 -1.616 1.00 0.00 C ATOM 1178 SD MET A 78 4.584 -18.544 -2.752 1.00 0.00 S ATOM 1179 CE MET A 78 3.767 -18.310 -4.352 1.00 0.00 C ATOM 0 H MET A 78 1.418 -18.457 0.440 1.00 0.00 H new ATOM 0 HA MET A 78 0.151 -20.391 -1.380 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.405 -20.414 -2.555 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.406 -18.995 -2.800 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.784 -17.624 -1.465 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.523 -18.986 -0.649 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.516 -18.098 -5.115 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.223 -19.216 -4.619 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.070 -17.475 -4.286 1.00 0.00 H new ATOM 1189 N ASP A 79 1.015 -22.325 -0.134 1.00 0.00 N ATOM 1190 CA ASP A 79 1.420 -23.597 0.502 1.00 0.00 C ATOM 1191 C ASP A 79 1.852 -23.528 1.987 1.00 0.00 C ATOM 1192 O ASP A 79 1.085 -23.905 2.875 1.00 0.00 O ATOM 1193 CB ASP A 79 2.520 -24.258 -0.348 1.00 0.00 C ATOM 1194 CG ASP A 79 2.024 -24.655 -1.747 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.192 -25.589 -1.851 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.470 -24.049 -2.752 1.00 0.00 O ATOM 0 H ASP A 79 0.123 -22.419 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 79 0.511 -24.197 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.361 -23.572 -0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.890 -25.144 0.168 1.00 0.00 H new ATOM 1201 N GLU A 80 3.064 -23.042 2.263 1.00 0.00 N ATOM 1202 CA GLU A 80 3.684 -22.901 3.589 1.00 0.00 C ATOM 1203 C GLU A 80 4.270 -21.500 3.806 1.00 0.00 C ATOM 1204 O GLU A 80 5.056 -21.302 4.734 1.00 0.00 O ATOM 1205 CB GLU A 80 4.842 -23.899 3.774 1.00 0.00 C ATOM 1206 CG GLU A 80 4.629 -25.337 3.288 1.00 0.00 C ATOM 1207 CD GLU A 80 3.464 -26.079 3.978 1.00 0.00 C ATOM 1208 OE1 GLU A 80 3.244 -25.902 5.201 1.00 0.00 O ATOM 1209 OE2 GLU A 80 2.797 -26.905 3.308 1.00 0.00 O ATOM 0 H GLU A 80 3.681 -22.714 1.520 1.00 0.00 H new ATOM 0 HA GLU A 80 2.886 -23.091 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.716 -23.498 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.086 -23.937 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.447 -25.321 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.548 -25.901 3.448 1.00 0.00 H new ATOM 1216 N PHE A 81 3.952 -20.523 2.955 1.00 0.00 N ATOM 1217 CA PHE A 81 4.510 -19.179 3.098 1.00 0.00 C ATOM 1218 C PHE A 81 3.397 -18.141 2.880 1.00 0.00 C ATOM 1219 O PHE A 81 2.316 -18.434 2.360 1.00 0.00 O ATOM 1220 CB PHE A 81 5.604 -18.905 2.040 1.00 0.00 C ATOM 1221 CG PHE A 81 6.409 -20.089 1.533 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.172 -20.915 2.378 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.316 -20.400 0.166 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.856 -22.025 1.849 1.00 0.00 C ATOM 1225 CE2 PHE A 81 6.987 -21.510 -0.367 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.766 -22.323 0.476 1.00 0.00 C ATOM 0 H PHE A 81 3.316 -20.636 2.166 1.00 0.00 H new ATOM 0 HA PHE A 81 4.940 -19.107 4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.129 -18.430 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.302 -18.180 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.233 -20.697 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.720 -19.776 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.452 -22.650 2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.906 -21.739 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.294 -23.174 0.071 1.00 0.00 H new ATOM 1236 N GLN A 82 3.708 -16.895 3.206 1.00 0.00 N ATOM 1237 CA GLN A 82 2.846 -15.732 2.995 1.00 0.00 C ATOM 1238 C GLN A 82 3.574 -14.711 2.132 1.00 0.00 C ATOM 1239 O GLN A 82 4.768 -14.511 2.307 1.00 0.00 O ATOM 1240 CB GLN A 82 2.447 -15.064 4.311 1.00 0.00 C ATOM 1241 CG GLN A 82 2.280 -15.973 5.522 1.00 0.00 C ATOM 1242 CD GLN A 82 1.677 -15.239 6.714 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.532 -15.435 7.096 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.439 -14.371 7.341 1.00 0.00 N ATOM 0 H GLN A 82 4.599 -16.653 3.641 1.00 0.00 H new ATOM 0 HA GLN A 82 1.939 -16.084 2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.199 -14.313 4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.507 -14.535 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.642 -16.816 5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.250 -16.383 5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.394 -14.207 7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.075 -13.861 8.146 1.00 0.00 H new ATOM 1253 N GLU A 83 2.854 -14.028 1.257 1.00 0.00 N ATOM 1254 CA GLU A 83 3.344 -13.025 0.316 1.00 0.00 C ATOM 1255 C GLU A 83 2.632 -11.701 0.557 1.00 0.00 C ATOM 1256 O GLU A 83 1.405 -11.637 0.600 1.00 0.00 O ATOM 1257 CB GLU A 83 3.049 -13.439 -1.142 1.00 0.00 C ATOM 1258 CG GLU A 83 4.133 -14.302 -1.786 1.00 0.00 C ATOM 1259 CD GLU A 83 3.827 -14.573 -3.275 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.677 -14.943 -3.614 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.738 -14.407 -4.122 1.00 0.00 O ATOM 0 H GLU A 83 1.847 -14.166 1.177 1.00 0.00 H new ATOM 0 HA GLU A 83 4.419 -12.933 0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.105 -13.984 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.914 -12.539 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.098 -13.803 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.212 -15.248 -1.251 1.00 0.00 H new ATOM 1268 N TYR A 84 3.409 -10.636 0.656 1.00 0.00 N ATOM 1269 CA TYR A 84 2.939 -9.272 0.858 1.00 0.00 C ATOM 1270 C TYR A 84 3.435 -8.401 -0.281 1.00 0.00 C ATOM 1271 O TYR A 84 4.627 -8.427 -0.584 1.00 0.00 O ATOM 1272 CB TYR A 84 3.519 -8.723 2.160 1.00 0.00 C ATOM 1273 CG TYR A 84 2.983 -9.413 3.399 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.574 -10.607 3.868 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.843 -8.889 4.037 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.041 -11.268 4.992 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.335 -9.519 5.188 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.939 -10.703 5.676 1.00 0.00 C ATOM 1279 OH TYR A 84 1.434 -11.327 6.775 1.00 0.00 O ATOM 0 H TYR A 84 4.425 -10.698 0.596 1.00 0.00 H new ATOM 0 HA TYR A 84 1.850 -9.269 0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.604 -8.826 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.301 -7.657 2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.437 -11.015 3.363 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.360 -8.006 3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.471 -12.200 5.329 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.482 -9.098 5.700 1.00 0.00 H new ATOM 0 HH TYR A 84 0.680 -10.809 7.128 1.00 0.00 H new ATOM 1289 N THR A 85 2.554 -7.628 -0.911 1.00 0.00 N ATOM 1290 CA THR A 85 2.951 -6.710 -1.979 1.00 0.00 C ATOM 1291 C THR A 85 2.175 -5.397 -1.830 1.00 0.00 C ATOM 1292 O THR A 85 1.001 -5.375 -1.464 1.00 0.00 O ATOM 1293 CB THR A 85 2.784 -7.298 -3.403 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.521 -7.041 -3.970 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.944 -8.826 -3.482 1.00 0.00 C ATOM 0 H THR A 85 1.556 -7.618 -0.700 1.00 0.00 H new ATOM 0 HA THR A 85 4.020 -6.529 -1.868 1.00 0.00 H new ATOM 0 HB THR A 85 3.584 -6.794 -3.946 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.478 -7.435 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.812 -9.153 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.939 -9.106 -3.137 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.194 -9.303 -2.851 1.00 0.00 H new ATOM 1303 N MET A 86 2.825 -4.279 -2.110 1.00 0.00 N ATOM 1304 CA MET A 86 2.261 -2.931 -2.080 1.00 0.00 C ATOM 1305 C MET A 86 2.752 -2.151 -3.297 1.00 0.00 C ATOM 1306 O MET A 86 3.877 -2.333 -3.762 1.00 0.00 O ATOM 1307 CB MET A 86 2.644 -2.254 -0.761 1.00 0.00 C ATOM 1308 CG MET A 86 2.210 -0.790 -0.676 1.00 0.00 C ATOM 1309 SD MET A 86 2.695 0.048 0.856 1.00 0.00 S ATOM 1310 CE MET A 86 4.406 0.502 0.439 1.00 0.00 C ATOM 0 H MET A 86 3.809 -4.283 -2.378 1.00 0.00 H new ATOM 0 HA MET A 86 1.173 -2.966 -2.130 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.195 -2.806 0.065 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.725 -2.312 -0.633 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.634 -0.249 -1.522 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.126 -0.739 -0.776 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.969 0.681 1.355 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.872 -0.309 -0.120 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.405 1.407 -0.168 1.00 0.00 H new ATOM 1320 N LEU A 87 1.882 -1.288 -3.807 1.00 0.00 N ATOM 1321 CA LEU A 87 2.101 -0.429 -4.969 1.00 0.00 C ATOM 1322 C LEU A 87 1.248 0.854 -4.856 1.00 0.00 C ATOM 1323 O LEU A 87 0.035 0.834 -5.068 1.00 0.00 O ATOM 1324 CB LEU A 87 1.712 -1.231 -6.227 1.00 0.00 C ATOM 1325 CG LEU A 87 2.093 -0.532 -7.532 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.521 -0.882 -7.925 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.165 -0.916 -8.681 1.00 0.00 C ATOM 0 H LEU A 87 0.955 -1.160 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 87 3.146 -0.125 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.196 -2.207 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.636 -1.408 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 87 2.001 0.539 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.776 -0.376 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.204 -0.561 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.607 -1.960 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.474 -0.396 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.216 -1.992 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.142 -0.635 -8.432 1.00 0.00 H new ATOM 1339 N CYS A 88 1.892 1.972 -4.540 1.00 0.00 N ATOM 1340 CA CYS A 88 1.301 3.300 -4.409 1.00 0.00 C ATOM 1341 C CYS A 88 2.265 4.360 -4.964 1.00 0.00 C ATOM 1342 O CYS A 88 3.470 4.319 -4.690 1.00 0.00 O ATOM 1343 CB CYS A 88 1.009 3.581 -2.930 1.00 0.00 C ATOM 1344 SG CYS A 88 0.389 5.284 -2.690 1.00 0.00 S ATOM 0 H CYS A 88 2.896 1.977 -4.358 1.00 0.00 H new ATOM 0 HA CYS A 88 0.371 3.341 -4.976 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.272 2.868 -2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.916 3.435 -2.344 1.00 0.00 H new ATOM 1349 N LEU A 89 1.732 5.319 -5.726 1.00 0.00 N ATOM 1350 CA LEU A 89 2.492 6.442 -6.283 1.00 0.00 C ATOM 1351 C LEU A 89 3.147 7.294 -5.180 1.00 0.00 C ATOM 1352 O LEU A 89 4.262 7.781 -5.375 1.00 0.00 O ATOM 1353 CB LEU A 89 1.548 7.272 -7.181 1.00 0.00 C ATOM 1354 CG LEU A 89 2.097 8.632 -7.653 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.320 8.500 -8.543 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.077 9.416 -8.478 1.00 0.00 C ATOM 0 H LEU A 89 0.744 5.337 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 89 3.317 6.062 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.297 6.678 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.619 7.445 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 89 2.344 9.149 -6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.660 9.491 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.115 7.994 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.064 7.920 -9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.512 10.367 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.802 8.839 -9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.188 9.603 -7.876 1.00 0.00 H new ATOM 1368 N LEU A 90 2.486 7.432 -4.028 1.00 0.00 N ATOM 1369 CA LEU A 90 2.969 8.182 -2.875 1.00 0.00 C ATOM 1370 C LEU A 90 3.658 7.259 -1.872 1.00 0.00 C ATOM 1371 O LEU A 90 4.843 7.443 -1.592 1.00 0.00 O ATOM 1372 CB LEU A 90 1.769 8.871 -2.199 1.00 0.00 C ATOM 1373 CG LEU A 90 2.088 9.474 -0.815 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.196 10.517 -0.890 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.843 10.118 -0.213 1.00 0.00 C ATOM 0 H LEU A 90 1.571 7.010 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 90 3.696 8.922 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.402 9.662 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.961 8.147 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 90 2.427 8.653 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.389 10.916 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.104 10.056 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.889 11.327 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.086 10.538 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.489 10.911 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.063 9.365 -0.100 1.00 0.00 H new ATOM 1387 N CYS A 91 2.916 6.322 -1.297 1.00 0.00 N ATOM 1388 CA CYS A 91 3.385 5.466 -0.226 1.00 0.00 C ATOM 1389 C CYS A 91 4.530 4.540 -0.642 1.00 0.00 C ATOM 1390 O CYS A 91 5.460 4.339 0.144 1.00 0.00 O ATOM 1391 CB CYS A 91 2.197 4.714 0.374 1.00 0.00 C ATOM 1392 SG CYS A 91 0.958 5.886 1.003 1.00 0.00 S ATOM 0 H CYS A 91 1.951 6.135 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 91 3.825 6.098 0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.747 4.070 -0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.538 4.067 1.182 1.00 0.00 H new ATOM 1397 N GLY A 92 4.496 4.021 -1.871 1.00 0.00 N ATOM 1398 CA GLY A 92 5.594 3.248 -2.442 1.00 0.00 C ATOM 1399 C GLY A 92 5.266 1.876 -3.016 1.00 0.00 C ATOM 1400 O GLY A 92 4.154 1.365 -2.891 1.00 0.00 O ATOM 0 H GLY A 92 3.700 4.127 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.048 3.844 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.350 3.117 -1.668 1.00 0.00 H new ATOM 1404 N LYS A 93 6.287 1.257 -3.615 1.00 0.00 N ATOM 1405 CA LYS A 93 6.252 -0.107 -4.147 1.00 0.00 C ATOM 1406 C LYS A 93 7.152 -1.016 -3.314 1.00 0.00 C ATOM 1407 O LYS A 93 8.347 -0.766 -3.186 1.00 0.00 O ATOM 1408 CB LYS A 93 6.613 -0.103 -5.634 1.00 0.00 C ATOM 1409 CG LYS A 93 6.821 -1.522 -6.196 1.00 0.00 C ATOM 1410 CD LYS A 93 7.212 -1.476 -7.679 1.00 0.00 C ATOM 1411 CE LYS A 93 7.359 -2.900 -8.228 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.753 -2.896 -9.662 1.00 0.00 N ATOM 0 H LYS A 93 7.192 1.708 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 93 5.242 -0.510 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.821 0.394 -6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.522 0.479 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.599 -2.032 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.906 -2.102 -6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.455 -0.935 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.149 -0.933 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.106 -3.439 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.417 -3.435 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.843 -3.875 -10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.027 -2.403 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.665 -2.407 -9.770 1.00 0.00 H new ATOM 1426 N ALA A 94 6.570 -2.058 -2.735 1.00 0.00 N ATOM 1427 CA ALA A 94 7.265 -3.020 -1.888 1.00 0.00 C ATOM 1428 C ALA A 94 6.761 -4.465 -2.043 1.00 0.00 C ATOM 1429 O ALA A 94 5.619 -4.691 -2.442 1.00 0.00 O ATOM 1430 CB ALA A 94 7.144 -2.532 -0.443 1.00 0.00 C ATOM 0 H ALA A 94 5.577 -2.263 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 94 8.309 -3.066 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.654 -3.230 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.600 -1.546 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.091 -2.472 -0.166 1.00 0.00 H new ATOM 1436 N GLU A 95 7.598 -5.445 -1.694 1.00 0.00 N ATOM 1437 CA GLU A 95 7.231 -6.868 -1.667 1.00 0.00 C ATOM 1438 C GLU A 95 8.055 -7.625 -0.609 1.00 0.00 C ATOM 1439 O GLU A 95 9.262 -7.411 -0.486 1.00 0.00 O ATOM 1440 CB GLU A 95 7.431 -7.467 -3.070 1.00 0.00 C ATOM 1441 CG GLU A 95 7.155 -8.972 -3.168 1.00 0.00 C ATOM 1442 CD GLU A 95 7.319 -9.457 -4.622 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.341 -9.388 -5.406 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.431 -9.906 -4.995 1.00 0.00 O ATOM 0 H GLU A 95 8.565 -5.273 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 95 6.182 -6.968 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.778 -6.945 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.456 -7.278 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.839 -9.516 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.145 -9.186 -2.819 1.00 0.00 H new ATOM 1451 N ASP A 96 7.404 -8.517 0.143 1.00 0.00 N ATOM 1452 CA ASP A 96 7.996 -9.365 1.179 1.00 0.00 C ATOM 1453 C ASP A 96 7.376 -10.770 1.180 1.00 0.00 C ATOM 1454 O ASP A 96 6.204 -10.928 0.834 1.00 0.00 O ATOM 1455 CB ASP A 96 7.799 -8.731 2.567 1.00 0.00 C ATOM 1456 CG ASP A 96 8.877 -9.197 3.561 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.084 -9.045 3.256 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.518 -9.716 4.643 1.00 0.00 O ATOM 0 H ASP A 96 6.401 -8.674 0.040 1.00 0.00 H new ATOM 0 HA ASP A 96 9.060 -9.452 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.829 -7.645 2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.813 -8.992 2.950 1.00 0.00 H new ATOM 1463 N THR A 97 8.121 -11.784 1.620 1.00 0.00 N ATOM 1464 CA THR A 97 7.598 -13.152 1.775 1.00 0.00 C ATOM 1465 C THR A 97 8.051 -13.753 3.110 1.00 0.00 C ATOM 1466 O THR A 97 9.219 -13.620 3.483 1.00 0.00 O ATOM 1467 CB THR A 97 7.997 -14.081 0.614 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.052 -13.413 -0.633 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.993 -15.218 0.444 1.00 0.00 C ATOM 0 H THR A 97 9.102 -11.686 1.880 1.00 0.00 H new ATOM 0 HA THR A 97 6.511 -13.072 1.761 1.00 0.00 H new ATOM 0 HB THR A 97 8.986 -14.453 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.311 -14.048 -1.333 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.303 -15.856 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.951 -15.807 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.007 -14.804 0.234 1.00 0.00 H new ATOM 1477 N ILE A 98 7.136 -14.409 3.834 1.00 0.00 N ATOM 1478 CA ILE A 98 7.383 -15.013 5.154 1.00 0.00 C ATOM 1479 C ILE A 98 7.070 -16.504 5.123 1.00 0.00 C ATOM 1480 O ILE A 98 5.950 -16.889 4.805 1.00 0.00 O ATOM 1481 CB ILE A 98 6.516 -14.357 6.258 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.402 -12.825 6.113 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.072 -14.747 7.637 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.660 -12.099 7.245 1.00 0.00 C ATOM 0 H ILE A 98 6.177 -14.539 3.512 1.00 0.00 H new ATOM 0 HA ILE A 98 8.436 -14.849 5.385 1.00 0.00 H new ATOM 0 HB ILE A 98 5.500 -14.736 6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.407 -12.410 6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.896 -12.605 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.465 -14.288 8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.045 -15.831 7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.101 -14.399 7.726 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.640 -11.029 7.039 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.639 -12.475 7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.174 -12.277 8.190 1.00 0.00 H new ATOM 1496 N SER A 99 8.017 -17.351 5.512 1.00 0.00 N ATOM 1497 CA SER A 99 7.767 -18.794 5.633 1.00 0.00 C ATOM 1498 C SER A 99 7.136 -19.102 6.994 1.00 0.00 C ATOM 1499 O SER A 99 7.533 -18.537 8.022 1.00 0.00 O ATOM 1500 CB SER A 99 9.031 -19.615 5.376 1.00 0.00 C ATOM 1501 OG SER A 99 10.052 -19.318 6.313 1.00 0.00 O ATOM 0 H SER A 99 8.968 -17.069 5.750 1.00 0.00 H new ATOM 0 HA SER A 99 7.058 -19.090 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.791 -20.677 5.425 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.394 -19.417 4.368 1.00 0.00 H new ATOM 0 HG SER A 99 10.843 -19.863 6.118 1.00 0.00 H new ATOM 1507 N ILE A 100 6.119 -19.967 6.988 1.00 0.00 N ATOM 1508 CA ILE A 100 5.300 -20.320 8.157 1.00 0.00 C ATOM 1509 C ILE A 100 5.156 -21.840 8.368 1.00 0.00 C ATOM 1510 O ILE A 100 5.419 -22.641 7.469 1.00 0.00 O ATOM 1511 CB ILE A 100 3.900 -19.664 8.034 1.00 0.00 C ATOM 1512 CG1 ILE A 100 3.081 -20.211 6.840 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.040 -18.137 7.912 1.00 0.00 C ATOM 1514 CD1 ILE A 100 1.571 -20.046 6.971 1.00 0.00 C ATOM 0 H ILE A 100 5.831 -20.459 6.142 1.00 0.00 H new ATOM 0 HA ILE A 100 5.822 -19.936 9.034 1.00 0.00 H new ATOM 0 HB ILE A 100 3.353 -19.919 8.942 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.410 -19.707 5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.307 -21.270 6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.051 -17.687 7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.541 -17.746 8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.627 -17.895 7.026 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.082 -20.458 6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.223 -20.574 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.327 -18.987 7.060 1.00 0.00 H new ATOM 1526 N LEU A 101 4.708 -22.242 9.562 1.00 0.00 N ATOM 1527 CA LEU A 101 4.433 -23.623 9.960 1.00 0.00 C ATOM 1528 C LEU A 101 3.241 -23.661 10.944 1.00 0.00 C ATOM 1529 O LEU A 101 3.005 -22.669 11.643 1.00 0.00 O ATOM 1530 CB LEU A 101 5.682 -24.149 10.684 1.00 0.00 C ATOM 1531 CG LEU A 101 6.903 -24.493 9.811 1.00 0.00 C ATOM 1532 CD1 LEU A 101 8.069 -24.900 10.714 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.623 -25.649 8.848 1.00 0.00 C ATOM 0 H LEU A 101 4.519 -21.578 10.313 1.00 0.00 H new ATOM 0 HA LEU A 101 4.192 -24.227 9.085 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.989 -23.402 11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.400 -25.043 11.240 1.00 0.00 H new ATOM 0 HG LEU A 101 7.141 -23.606 9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.936 -25.145 10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.318 -24.075 11.381 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.785 -25.771 11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.515 -25.853 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.354 -26.539 9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.801 -25.380 8.185 1.00 0.00 H new ATOM 1545 N PRO A 102 2.519 -24.794 11.067 1.00 0.00 N ATOM 1546 CA PRO A 102 1.408 -24.937 12.019 1.00 0.00 C ATOM 1547 C PRO A 102 1.860 -24.873 13.493 1.00 0.00 C ATOM 1548 O PRO A 102 1.044 -24.645 14.387 1.00 0.00 O ATOM 1549 CB PRO A 102 0.748 -26.276 11.673 1.00 0.00 C ATOM 1550 CG PRO A 102 1.885 -27.089 11.055 1.00 0.00 C ATOM 1551 CD PRO A 102 2.712 -26.033 10.325 1.00 0.00 C ATOM 0 HA PRO A 102 0.709 -24.106 11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.342 -26.764 12.559 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.078 -26.147 10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.471 -27.604 11.816 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.510 -27.851 10.371 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.765 -26.312 10.297 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.383 -25.925 9.291 1.00 0.00 H new ATOM 1559 N ASP A 103 3.160 -25.046 13.755 1.00 0.00 N ATOM 1560 CA ASP A 103 3.799 -24.976 15.077 1.00 0.00 C ATOM 1561 C ASP A 103 3.977 -23.533 15.617 1.00 0.00 C ATOM 1562 O ASP A 103 4.520 -23.351 16.707 1.00 0.00 O ATOM 1563 CB ASP A 103 5.164 -25.680 14.994 1.00 0.00 C ATOM 1564 CG ASP A 103 5.026 -27.173 14.656 1.00 0.00 C ATOM 1565 OD1 ASP A 103 4.708 -27.975 15.568 1.00 0.00 O ATOM 1566 OD2 ASP A 103 5.245 -27.551 13.480 1.00 0.00 O ATOM 0 H ASP A 103 3.831 -25.249 13.014 1.00 0.00 H new ATOM 0 HA ASP A 103 3.135 -25.473 15.785 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.777 -25.193 14.236 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.686 -25.571 15.945 1.00 0.00 H new ATOM 1571 N ASP A 104 3.535 -22.508 14.872 1.00 0.00 N ATOM 1572 CA ASP A 104 3.643 -21.074 15.205 1.00 0.00 C ATOM 1573 C ASP A 104 5.084 -20.619 15.570 1.00 0.00 C ATOM 1574 O ASP A 104 5.358 -20.253 16.719 1.00 0.00 O ATOM 1575 CB ASP A 104 2.571 -20.688 16.244 1.00 0.00 C ATOM 1576 CG ASP A 104 2.540 -19.180 16.559 1.00 0.00 C ATOM 1577 OD1 ASP A 104 2.824 -18.354 15.658 1.00 0.00 O ATOM 1578 OD2 ASP A 104 2.186 -18.811 17.706 1.00 0.00 O ATOM 0 H ASP A 104 3.070 -22.661 13.977 1.00 0.00 H new ATOM 0 HA ASP A 104 3.433 -20.506 14.299 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.592 -20.995 15.876 1.00 0.00 H new ATOM 0 HB3 ASP A 104 2.753 -21.241 17.166 1.00 0.00 H new ATOM 1583 N PRO A 105 6.033 -20.643 14.604 1.00 0.00 N ATOM 1584 CA PRO A 105 7.421 -20.231 14.826 1.00 0.00 C ATOM 1585 C PRO A 105 7.544 -18.705 14.947 1.00 0.00 C ATOM 1586 O PRO A 105 8.231 -18.186 15.830 1.00 0.00 O ATOM 1587 CB PRO A 105 8.188 -20.727 13.596 1.00 0.00 C ATOM 1588 CG PRO A 105 7.147 -20.832 12.484 1.00 0.00 C ATOM 1589 CD PRO A 105 5.820 -21.026 13.217 1.00 0.00 C ATOM 0 HA PRO A 105 7.811 -20.644 15.756 1.00 0.00 H new ATOM 0 HB2 PRO A 105 8.985 -20.034 13.324 1.00 0.00 H new ATOM 0 HB3 PRO A 105 8.656 -21.692 13.788 1.00 0.00 H new ATOM 0 HG2 PRO A 105 7.132 -19.933 11.868 1.00 0.00 H new ATOM 0 HG3 PRO A 105 7.359 -21.670 11.820 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.038 -20.415 12.765 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.492 -22.063 13.151 1.00 0.00 H new ATOM 1597 N ARG A 106 6.860 -18.000 14.035 1.00 0.00 N ATOM 1598 CA ARG A 106 6.797 -16.534 13.925 1.00 0.00 C ATOM 1599 C ARG A 106 5.454 -15.976 13.435 1.00 0.00 C ATOM 1600 O ARG A 106 5.241 -14.766 13.499 1.00 0.00 O ATOM 1601 CB ARG A 106 7.966 -16.025 13.054 1.00 0.00 C ATOM 1602 CG ARG A 106 8.020 -16.615 11.630 1.00 0.00 C ATOM 1603 CD ARG A 106 9.124 -15.916 10.830 1.00 0.00 C ATOM 1604 NE ARG A 106 9.375 -16.550 9.519 1.00 0.00 N ATOM 1605 CZ ARG A 106 10.303 -16.168 8.660 1.00 0.00 C ATOM 1606 NH1 ARG A 106 11.036 -15.107 8.854 1.00 0.00 N ATOM 1607 NH2 ARG A 106 10.529 -16.842 7.572 1.00 0.00 N ATOM 0 H ARG A 106 6.305 -18.462 13.314 1.00 0.00 H new ATOM 0 HA ARG A 106 6.892 -16.153 14.942 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.899 -14.940 12.979 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.904 -16.252 13.561 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.212 -17.687 11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.058 -16.485 11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.849 -14.873 10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.046 -15.920 11.412 1.00 0.00 H new ATOM 0 HE ARG A 106 8.788 -17.342 9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.902 -14.541 9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.743 -14.843 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.986 -17.681 7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.250 -16.532 6.920 1.00 0.00 H new ATOM 1621 N GLN A 107 4.557 -16.839 12.954 1.00 0.00 N ATOM 1622 CA GLN A 107 3.217 -16.505 12.444 1.00 0.00 C ATOM 1623 C GLN A 107 2.232 -17.637 12.779 1.00 0.00 C ATOM 1624 O GLN A 107 2.447 -18.793 12.387 1.00 0.00 O ATOM 1625 CB GLN A 107 3.265 -16.300 10.916 1.00 0.00 C ATOM 1626 CG GLN A 107 4.042 -15.070 10.412 1.00 0.00 C ATOM 1627 CD GLN A 107 3.328 -13.756 10.734 1.00 0.00 C ATOM 1628 OE1 GLN A 107 2.457 -13.295 10.008 1.00 0.00 O ATOM 1629 NE2 GLN A 107 3.640 -13.111 11.837 1.00 0.00 N ATOM 0 H GLN A 107 4.750 -17.839 12.905 1.00 0.00 H new ATOM 0 HA GLN A 107 2.883 -15.582 12.918 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.706 -17.190 10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 107 2.241 -16.231 10.549 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.034 -15.061 10.863 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.182 -15.149 9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.363 -13.478 12.456 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.159 -12.243 12.074 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.738 17.505 -6.451 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.180 20.169 -3.755 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.538 5.341 -0.622 1.00 0.00 ZN